data_r5lqmsf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-08-31 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5lqm 
_cell.length_a      52.8070 
_cell.length_b      48.9360 
_cell.length_c      60.4220 
_cell.angle_alpha   90.0000 
_cell.angle_beta    104.6230 
_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   0.96862 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.497 
_diffrn_reflns.pdbx_d_res_low    38.250 
_diffrn_reflns.limit_h_max       31 
_diffrn_reflns.limit_h_min       -32 
_diffrn_reflns.limit_k_max       30 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       37 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            38129 
_diffrn_reflns.pdbx_number_obs   34681 
# 
_entry.id   5lqm 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5lqm 
_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.pdbx_anom_difference 
_refln.pdbx_anom_difference_sigma 
1 1 1 -32 0  3  o 6.618338 4.722531  -0.000000      0.000000 
1 1 1 -32 0  4  o 16.97457 8.278474  0.000000       0.000000 
1 1 1 -32 0  5  o 16.48013 7.586544  -0.000000      0.000000 
1 1 1 -32 0  6  o 10.77345 6.745812  0.000000       0.000000 
1 1 1 -32 0  7  o 7.173588 5.082358  0.000000       0.000000 
1 1 1 -32 0  8  o 9.838808 6.425400  0.000000       0.000000 
1 1 1 -32 0  9  o 6.794469 4.889218  0.000000       0.000000 
1 1 1 -32 0  10 o 38.45527 4.791681  -0.000000      0.000000 
1 1 1 -32 0  11 o 44.90244 4.380397  0.000000       0.000000 
1 1 1 -32 0  12 o 9.092807 6.100667  0.000000       0.000000 
1 1 1 -32 0  13 o 44.89057 7.898228  0.000000       0.000000 
1 1 1 -32 0  14 f 11.51747 7.117336  0.000000       0.000000 
1 1 1 -32 0  15 o 10.57653 6.946088  0.000000       0.000000 
1 1 1 -32 0  16 o 11.73870 7.206711  0.000000       0.000000 
1 1 1 -32 1  3  o 12.04875 3.829691  -1.237331      7.659382 
1 1 1 -32 1  4  o 21.62773 4.672733  11.64390       9.345467 
1 1 1 -32 1  5  o 12.63786 3.924017  2.070672       7.848034 
1 1 1 -32 1  6  o 16.46959 4.886885  12.27305       9.773769 
1 1 1 -32 1  7  o 13.68245 4.121860  3.253147       8.243719 
1 1 1 -32 1  8  o 14.86638 4.214181  6.493818       8.428363 
1 1 1 -32 1  9  o 19.57253 4.603496  1.087944       9.206992 
1 1 1 -32 1  10 o 14.91855 4.372633  4.074649       8.745267 
1 1 1 -32 1  11 o 16.74958 4.364903  -9.998828      8.729807 
1 1 1 -32 1  12 o 28.46033 4.459072  -0.2539063E-01 8.918143 
1 1 1 -32 1  13 o 14.67232 4.850606  -3.178834      9.701213 
1 1 1 -32 1  14 o 14.74727 4.397913  2.941461       8.795826 
1 1 1 -32 1  15 o 16.61458 5.164044  -7.063439      10.32809 
1 1 1 -32 1  16 o 16.78272 4.608523  4.927794       9.217047 
1 1 1 -32 2  3  o 17.60346 4.289534  -8.318801      8.579068 
1 1 1 -32 2  4  o 18.66044 4.439445  -13.72593      8.878891 
1 1 1 -32 2  5  o 12.69874 4.184832  -2.719615      8.369663 
1 1 1 -32 2  6  o 15.42169 4.388669  2.280853       8.777338 
1 1 1 -32 2  7  o 17.62965 4.573772  -6.963025      9.147544 
1 1 1 -32 2  8  o 17.37091 4.603100  -4.138147      9.206200 
1 1 1 -32 2  9  o 21.30489 4.450417  -10.94842      8.900833 
1 1 1 -32 2  10 o 11.40079 3.749004  -3.878424      7.498009 
1 1 1 -32 2  11 o 10.23093 3.522699  -2.086043      7.045399 
1 1 1 -32 2  12 o 11.94137 3.884331  2.832937       7.768661 
1 1 1 -32 2  13 o 16.17935 5.139479  3.003027       10.27896 
1 1 1 -32 2  14 o 14.04742 4.220394  -5.909529      8.440787 
1 1 1 -32 2  15 o 18.40060 5.378025  -8.342808      10.75605 
1 1 1 -32 3  4  o 17.30733 4.729763  -8.327593      9.459526 
1 1 1 -32 3  5  o 15.27328 4.761049  -8.809361      9.522098 
1 1 1 -32 3  6  o 15.87233 4.534101  0.7901344      9.068201 
1 1 1 -32 3  7  o 12.95071 4.012166  -4.616797      8.024332 
1 1 1 -32 3  8  o 16.58582 4.549920  -2.151798      9.099840 
1 1 1 -32 3  9  o 11.45427 3.770391  -0.6487923     7.540782 
1 1 1 -32 3  10 o 13.92961 4.208723  0.7167950      8.417446 
1 1 1 -32 3  11 o 11.22042 3.792588  1.700183       7.585176 
1 1 1 -32 3  12 o 14.04529 4.281582  3.009526       8.563165 
1 1 1 -32 3  13 o 16.35299 5.041791  4.096023       10.08358 
1 1 1 -32 3  14 o 12.61626 3.939825  5.823465       7.879650 
1 1 1 -32 3  15 o 16.44383 5.064584  2.201185       10.12917 
1 1 1 -32 4  5  o 13.20520 4.155862  -4.080256      8.311724 
1 1 1 -32 4  6  o 17.81437 4.336326  -13.14998      8.672651 
1 1 1 -32 4  7  o 17.00538 4.454188  -9.904420      8.908377 
1 1 1 -32 4  8  o 16.66077 4.603147  -6.397031      9.206293 
1 1 1 -32 4  9  o 10.09239 3.457112  -2.463947      6.914225 
1 1 1 -32 4  10 o 15.87949 6.196334  ?              ?        
1 1 1 -32 4  11 o 18.45950 4.750194  9.027558       9.500388 
1 1 1 -32 4  12 o 26.70244 5.652182  -4.794094      11.30436 
1 1 1 -32 4  13 f 15.88545 4.519943  -9.916343      9.039886 
1 1 1 -32 4  14 o 15.18170 4.451866  -3.769807      8.903731 
1 1 1 -32 5  6  o 19.15664 4.688875  -7.762353      9.377749 
1 1 1 -32 5  7  o 28.93408 6.587360  ?              ?        
1 1 1 -32 5  8  o 12.16947 3.938135  -3.934803      7.876270 
1 1 1 -32 5  9  o 20.40158 4.920053  2.199881       9.840105 
1 1 1 -32 5  10 o 12.03582 4.008070  -1.792222      8.016141 
1 1 1 -32 5  11 o 13.26320 4.398128  -4.608342      8.796256 
1 1 1 -32 5  12 o 10.33463 3.627672  -2.033609      7.255345 
1 1 1 -31 0  1  o 10.45548 6.442430  0.000000       0.000000 
1 1 1 -31 0  2  o 11.68866 6.819823  0.000000       0.000000 
1 1 1 -31 0  3  o 38.47116 4.678078  0.000000       0.000000 
1 1 1 -31 0  4  o 7.963094 5.523392  -0.000000      0.000000 
1 1 1 -31 0  5  o 41.05743 6.202164  0.000000       0.000000 
1 1 1 -31 0  6  o 15.49245 7.907782  0.000000       0.000000 
1 1 1 -31 0  7  o 6.540553 4.738133  -0.000000      0.000000 
1 1 1 -31 0  8  o 8.549712 5.844886  0.000000       0.000000 
1 1 1 -31 0  9  o 13.12293 7.606162  -0.000000      0.000000 
1 1 1 -31 0  10 f 21.88639 8.353468  0.000000       0.000000 
1 1 1 -31 0  11 o 12.19577 7.261964  -0.000000      0.000000 
1 1 1 -31 0  12 o 14.11343 7.925201  -0.000000      0.000000 
1 1 1 -31 0  13 o 11.33695 7.378774  -0.000000      0.000000 
1 1 1 -31 0  14 o 7.518260 5.533378  -0.000000      0.000000 
1 1 1 -31 0  15 o 11.34762 7.085080  -0.000000      0.000000 
1 1 1 -31 0  16 o 12.80239 7.614325  0.000000       0.000000 
1 1 1 -31 0  17 f 15.97449 8.425484  0.000000       0.000000 
1 1 1 -31 0  18 o 11.03044 6.987136  -0.000000      0.000000 
1 1 1 -31 0  19 o 10.08725 6.607165  0.000000       0.000000 
1 1 1 -31 0  20 o 18.17375 9.774656  -0.000000      0.000000 
1 1 1 -31 1  1  o 14.57493 4.115375  -1.872286      8.230749 
1 1 1 -31 1  2  o 14.49062 3.885692  -7.931805      7.771383 
1 1 1 -31 1  3  o 16.10228 4.291251  4.085884       8.582502 
1 1 1 -31 1  4  o 22.62078 4.468131  -3.555891      8.936262 
1 1 1 -31 1  5  o 18.81405 4.524372  -14.82511      9.048743 
1 1 1 -31 1  6  o 18.79996 4.581858  3.330250       9.163715 
1 1 1 -31 1  7  o 22.34896 5.371736  -1.800936      10.74347 
1 1 1 -31 1  8  o 19.60979 4.441189  -10.55216      8.882379 
1 1 1 -31 1  9  o 14.48375 4.306533  2.115352       8.613067 
1 1 1 -31 1  10 o 26.99487 4.671474  -0.2585411E-01 9.342949 
1 1 1 -31 1  11 o 30.24414 4.365973  -10.73392      8.731947 
1 1 1 -31 1  12 o 14.17366 4.364508  -3.770292      8.729015 
1 1 1 -31 1  13 o 18.24716 5.190149  -9.588152      10.38030 
1 1 1 -31 1  14 o 15.46186 4.827592  -3.305980      9.655185 
1 1 1 -31 1  15 o 16.65389 4.472655  8.477752       8.945310 
1 1 1 -31 1  16 o 13.36878 4.280826  -0.9096441     8.561651 
1 1 1 -31 1  17 o 13.72476 4.320535  1.656107       8.641070 
1 1 1 -31 1  18 o 12.54345 4.057037  -5.429501      8.114075 
1 1 1 -31 1  19 o 14.40893 4.393223  -4.955045      8.786446 
1 1 1 -31 1  20 f 17.21505 5.284249  1.172369       10.56850 
1 1 1 -31 2  1  o 24.23197 4.106833  -0.7665367     8.213665 
1 1 1 -31 2  2  o 20.41103 4.378256  -0.8181381     8.756513 
1 1 1 -31 2  3  o 13.81054 4.050982  0.6516485      8.101965 
1 1 1 -31 2  4  o 17.64505 4.294420  -9.784508      8.588840 
1 1 1 -31 2  5  o 19.85968 5.018520  -15.33238      10.03704 
1 1 1 -31 2  6  o 15.80821 4.803886  -8.516840      9.607772 
1 1 1 -31 2  7  o 16.89153 4.480690  -9.643999      8.961379 
1 1 1 -31 2  8  o 17.73954 4.668921  -4.893332      9.337841 
1 1 1 -31 2  9  o 11.46030 3.789122  2.760842       7.578244 
1 1 1 -31 2  10 o 13.99076 4.253395  4.762822       8.506790 
1 1 1 -31 2  11 o 18.20341 4.529403  -13.15870      9.058806 
1 1 1 -31 2  12 o 13.26588 4.198020  -3.927880      8.396041 
1 1 1 -31 2  13 o 14.60357 4.724967  -8.453452      9.449935 
1 1 1 -31 2  14 f 14.50669 4.825186  -0.6443768     9.650373 
1 1 1 -31 2  15 o 22.57588 4.707742  -16.30309      9.415483 
1 1 1 -31 2  16 o 13.80205 4.331531  -4.567566      8.663061 
1 1 1 -31 2  17 o 19.60386 4.923854  -6.602196      9.847708 
1 1 1 -31 2  18 f 14.18626 4.362051  0.7181396      8.724101 
1 1 1 -31 2  19 o 14.41946 4.424504  -2.931566      8.849009 
1 1 1 -31 3  1  o 14.02086 4.119238  -0.8047838     8.238476 
1 1 1 -31 3  2  o 14.26374 4.210155  -2.589276      8.420310 
1 1 1 -31 3  3  o 15.96345 4.379193  0.2296572      8.758386 
1 1 1 -31 3  4  o 14.16114 4.335307  -4.251913      8.670613 
1 1 1 -31 3  5  o 19.73164 4.993281  -13.08461      9.986563 
1 1 1 -31 3  6  o 16.83072 4.870956  -0.9443169     9.741912 
1 1 1 -31 3  7  o 20.78052 4.827091  -7.016434      9.654182 
1 1 1 -31 3  8  o 14.86145 6.470051  ?              ?        
1 1 1 -31 3  9  o 16.48504 4.638182  -5.026753      9.276364 
1 1 1 -31 3  10 o 13.50066 4.223742  -4.028831      8.447484 
1 1 1 -31 3  11 o 12.55742 4.069986  -2.581055      8.139972 
1 1 1 -31 3  12 o 31.93899 4.949168  -6.016598      9.898335 
1 1 1 -31 3  13 o 47.52122 3.315625  -14.83998      6.631250 
1 1 1 -31 3  14 o 12.87846 6.248844  ?              ?        
1 1 1 -31 3  15 o 19.81693 4.771239  -8.696900      9.542479 
1 1 1 -31 3  16 o 13.45068 4.233638  4.703085       8.467277 
1 1 1 -31 3  17 o 21.17648 5.084446  -2.060930      10.16889 
1 1 1 -31 3  18 o 25.96377 4.384676  -20.85786      8.769352 
1 1 1 -31 3  19 o 12.05532 3.988439  -1.625362      7.976877 
1 1 1 -31 4  1  o 13.06367 3.946684  1.325650       7.893368 
1 1 1 -31 4  2  o 21.43545 4.489404  -8.503832      8.978808 
1 1 1 -31 4  3  f 12.76076 3.955409  1.913072       7.910818 
1 1 1 -31 4  4  o 18.98219 4.683849  -0.5400867     9.367698 
1 1 1 -31 4  5  o 22.55062 4.968645  -18.00386      9.937290 
1 1 1 -31 4  6  f 23.96596 5.414999  -4.258144      10.83000 
1 1 1 -31 4  7  o 19.83542 4.846916  -2.244583      9.693831 
1 1 1 -31 4  8  o 21.34446 4.715014  -9.342533      9.430029 
1 1 1 -31 4  9  o 14.59060 4.363192  2.185260       8.726384 
1 1 1 -31 4  10 o 18.85279 4.303471  -15.11761      8.606941 
1 1 1 -31 4  11 o 13.82451 4.201233  4.615499       8.402466 
1 1 1 -31 4  12 o 18.25261 5.049745  3.139273       10.09949 
1 1 1 -31 4  13 o 22.34182 5.007678  -8.440563      10.01536 
1 1 1 -31 4  14 o 21.55068 6.050254  -2.085487      12.10051 
1 1 1 -31 4  15 o 22.19524 4.699171  -14.87480      9.398342 
1 1 1 -31 4  16 o 16.11781 4.642163  -7.551748      9.284326 
1 1 1 -31 4  17 o 18.10905 4.833098  -6.260558      9.666196 
1 1 1 -31 4  18 o 16.45775 4.490799  -12.58615      8.981599 
1 1 1 -31 4  19 o 29.75947 4.849341  -20.03213      9.698682 
1 1 1 -31 5  1  o 13.81000 4.207118  -3.827370      8.414236 
1 1 1 -31 5  2  o 23.86476 4.444575  -5.978909      8.889150 
1 1 1 -31 5  3  f 31.39875 4.152828  -11.24536      8.305655 
1 1 1 -31 5  4  o 16.45506 3.999760  10.57729       7.999521 
1 1 1 -31 5  5  o 14.05736 4.478865  -4.990647      8.957730 
1 1 1 -31 5  6  o 12.05321 4.105364  4.146917       8.210729 
1 1 1 -31 5  7  o 13.20321 4.195445  -5.474754      8.390889 
1 1 1 -31 5  8  o 18.25888 4.844024  -6.500374      9.688047 
1 1 1 -31 5  9  o 14.10422 4.292012  1.994945       8.584024 
1 1 1 -31 5  10 o 14.78602 4.435020  -2.144290      8.870040 
1 1 1 -31 5  11 o 26.90684 4.907089  -15.55166      9.814178 
1 1 1 -31 5  12 o 25.58972 5.795924  -6.288973      11.59185 
1 1 1 -31 5  13 o 19.61548 5.331289  -9.222703      10.66258 
1 1 1 -31 5  14 o 13.41690 4.340895  -1.775646      8.681789 
1 1 1 -31 5  15 o 11.87667 3.940620  0.9680548      7.881241 
1 1 1 -31 5  16 o 12.77989 4.130860  -0.3523493     8.261720 
1 1 1 -31 5  17 o 13.79458 4.308440  -7.861472      8.616879 
1 1 1 -31 5  18 o 15.38719 4.571696  1.236761       9.143393 
1 1 1 -31 6  1  o 18.49267 4.772105  4.460379       9.544209 
1 1 1 -31 6  2  o 29.04158 4.273097  -17.17987      8.546194 
1 1 1 -31 6  3  o 29.56308 4.064778  -21.79167      8.129557 
1 1 1 -31 6  4  o 22.52940 6.058419  ?              ?        
1 1 1 -31 6  5  o 20.38665 4.752568  -11.86292      9.505136 
1 1 1 -31 6  6  f 13.36629 4.171420  -6.396711      8.342840 
1 1 1 -31 6  7  o 26.37745 3.871305  -25.35785      7.742611 
1 1 1 -31 6  8  o 25.47161 4.395508  -17.44805      8.791017 
1 1 1 -31 6  9  o 17.45684 4.489567  -14.11704      8.979135 
1 1 1 -31 6  10 o 21.45954 4.471444  -17.28971      8.942887 
1 1 1 -31 6  11 o 15.58679 4.622277  -4.951422      9.244554 
1 1 1 -31 6  12 o 15.17336 4.970216  -9.145728      9.940432 
1 1 1 -31 6  13 o 13.39324 4.528877  1.176220       9.057755 
1 1 1 -31 6  14 o 28.90211 4.460593  -20.51807      8.921186 
1 1 1 -31 6  15 o 26.12766 4.837828  -18.90383      9.675656 
1 1 1 -31 6  16 o 13.35856 4.312883  0.3715219      8.625767 
1 1 1 -31 6  17 o 14.90200 4.673744  -3.486938      9.347488 
1 1 1 -31 7  2  o 14.45679 4.334099  4.614794       8.668198 
1 1 1 -31 7  3  o 12.41558 4.086275  -4.074400      8.172549 
1 1 1 -31 7  4  o 17.00118 4.776581  -8.022783      9.553163 
1 1 1 -31 7  5  o 20.01565 5.604836  -1.189623      11.20967 
1 1 1 -31 7  6  o 17.40845 4.795707  -10.64225      9.591414 
1 1 1 -31 7  7  o 24.46900 4.291203  -24.52332      8.582405 
1 1 1 -31 7  8  o 17.64959 4.500846  7.320560       9.001692 
1 1 1 -31 7  9  o 24.29568 4.998224  -12.16809      9.996449 
1 1 1 -31 7  10 o 17.17470 4.735183  -15.24635      9.470366 
1 1 1 -31 7  11 o 16.33385 5.159810  -6.831875      10.31962 
1 1 1 -31 7  12 o 17.43052 5.266159  -4.661763      10.53232 
1 1 1 -31 7  13 o 23.56805 5.483528  -12.80729      10.96706 
1 1 1 -31 7  14 o 31.47624 4.304421  -27.93204      8.608843 
1 1 1 -31 7  15 o 35.63608 4.023103  -39.32270      8.046206 
1 1 1 -31 7  16 f 19.18468 4.980411  -12.60178      9.960821 
1 1 1 -31 8  4  o 19.53894 5.104463  -8.575816      10.20893 
1 1 1 -31 8  5  o 13.57587 4.410190  -3.731824      8.820380 
1 1 1 -31 8  6  o 20.83532 4.944399  -15.42461      9.888799 
1 1 1 -31 8  7  o 25.50699 5.027510  -12.30774      10.05502 
1 1 1 -31 8  8  o 16.32144 4.803024  -6.500351      9.606049 
1 1 1 -31 8  9  o 13.08888 4.321789  -7.345273      8.643578 
1 1 1 -31 8  10 o 12.67398 4.218160  -4.366109      8.436320 
1 1 1 -31 8  11 o 12.91030 5.574941  ?              ?        
1 1 1 -31 8  12 o 13.64865 4.553449  -0.7091675     9.106897 
1 1 1 -31 8  13 o 24.55369 5.275682  -10.95469      10.55136 
1 1 1 -31 8  14 o 11.60767 3.896975  0.1693153E-01  7.793950 
1 1 1 -31 9  6  o 14.91967 4.532530  4.740330       9.065060 
1 1 1 -31 9  7  o 14.12683 4.557081  -9.670846      9.114162 
1 1 1 -31 9  8  o 40.40607 3.986034  -20.87668      7.972068 
1 1 1 -31 9  9  o 38.39908 4.234196  -29.99100      8.468392 
1 1 1 -31 9  10 o 19.59349 6.670050  ?              ?        
1 1 1 -31 9  11 o 12.60817 4.134099  0.2010536      8.268198 
1 1 1 -30 0  1  o 25.09103 6.770551  -0.000000      0.000000 
1 1 1 -30 0  2  o 6.262318 4.534651  0.000000       0.000000 
1 1 1 -30 0  3  o 10.83101 6.643999  0.000000       0.000000 
1 1 1 -30 0  4  o 14.20913 7.576988  -0.000000      0.000000 
1 1 1 -30 0  5  o 8.048450 5.583010  0.000000       0.000000 
1 1 1 -30 0  6  o 37.73708 7.290506  -0.000000      0.000000 
1 1 1 -30 0  7  o 12.10958 7.287386  -0.000000      0.000000 
1 1 1 -30 0  8  o 16.94790 9.488006  -0.000000      0.000000 
1 1 1 -30 0  9  o 11.95607 7.252591  -0.000000      0.000000 
1 1 1 -30 0  10 o 10.02295 6.556119  0.000000       0.000000 
1 1 1 -30 0  11 o 11.45599 7.044891  0.000000       0.000000 
1 1 1 -30 0  12 x ?        ?         ?              ?        
1 1 1 -30 0  13 o 13.07000 7.682155  -0.000000      0.000000 
1 1 1 -30 0  14 o 22.10778 9.861238  -0.000000      0.000000 
1 1 1 -30 0  15 o 7.244145 5.210904  0.000000       0.000000 
1 1 1 -30 0  16 o 17.94883 8.528928  -0.000000      0.000000 
1 1 1 -30 0  17 f 9.611604 6.461830  0.000000       0.000000 
1 1 1 -30 0  18 o 6.770950 4.902012  -0.000000      0.000000 
1 1 1 -30 0  19 o 14.02115 8.047235  0.000000       0.000000 
1 1 1 -30 0  20 o 8.691242 6.035054  -0.000000      0.000000 
1 1 1 -30 0  21 o 10.65536 7.200922  0.000000       0.000000 
1 1 1 -30 0  22 o 9.903746 6.790793  0.000000       0.000000 
1 1 1 -30 1  1  o 21.18325 4.346888  -2.215347      8.693775 
1 1 1 -30 1  2  o 21.25679 4.459079  -4.450644      8.918158 
1 1 1 -30 1  3  o 18.45337 4.331836  -9.794479      8.663671 
1 1 1 -30 1  4  o 21.02082 4.420242  7.830818       8.840484 
1 1 1 -30 1  5  o 43.66707 3.112436  -14.43864      6.224871 
1 1 1 -30 1  6  o 11.46382 3.910777  -3.115638      7.821555 
1 1 1 -30 1  7  o 45.99479 3.000733  -6.144550      6.001465 
1 1 1 -30 1  8  f 14.26597 4.509586  -0.6195116     9.019172 
1 1 1 -30 1  9  o 31.55954 4.232030  -4.183876      8.464060 
1 1 1 -30 1  10 o 17.79467 4.647978  -5.178967      9.295957 
1 1 1 -30 1  11 o 26.67661 4.282175  -14.89207      8.564349 
1 1 1 -30 1  12 x ?        ?         ?              ?        
1 1 1 -30 1  13 o 14.21860 4.319946  -2.984449      8.639893 
1 1 1 -30 1  14 o 18.70988 5.394732  2.966587       10.78946 
1 1 1 -30 1  15 o 18.78445 4.852100  8.201118       9.704201 
1 1 1 -30 1  16 o 28.93466 4.298318  -19.73940      8.596636 
1 1 1 -30 1  17 o 20.48118 5.005942  5.961212       10.01188 
1 1 1 -30 1  18 o 17.42931 4.544848  10.11681       9.089696 
1 1 1 -30 1  19 o 14.30227 4.434659  -6.055509      8.869317 
1 1 1 -30 1  20 o 12.42856 4.079313  -1.444137      8.158626 
1 1 1 -30 1  21 f 15.57913 4.781887  -7.936057      9.563774 
1 1 1 -30 1  22 o 18.88486 5.292614  6.697170       10.58523 
1 1 1 -30 2  1  o 16.76395 4.315035  -3.185236      8.630070 
1 1 1 -30 2  2  o 12.21340 3.884109  1.628712       7.768219 
1 1 1 -30 2  3  o 17.07465 4.465718  -5.514062      8.931437 
1 1 1 -30 2  4  o 14.27171 4.223485  2.433445       8.446971 
1 1 1 -30 2  5  o 29.96383 4.174155  1.897646       8.348310 
1 1 1 -30 2  6  o 47.11688 3.534544  -2.005470      7.069087 
1 1 1 -30 2  7  o 14.46427 4.523140  -5.483127      9.046280 
1 1 1 -30 2  8  o 32.94898 4.941841  -11.37963      9.883681 
1 1 1 -30 2  9  o 28.57165 4.263903  -19.86343      8.527806 
1 1 1 -30 2  10 o 17.81648 4.651599  -4.963633      9.303198 
1 1 1 -30 2  11 o 24.09549 4.540555  9.695993       9.081109 
1 1 1 -30 2  12 o 14.05533 6.228201  ?              ?        
1 1 1 -30 2  13 o 14.63926 4.318648  -6.618239      8.637297 
1 1 1 -30 2  14 o 21.80177 5.161599  5.541605       10.32320 
1 1 1 -30 2  15 o 18.15514 5.000302  -12.00629      10.00060 
1 1 1 -30 2  16 o 22.35172 4.662346  -12.51854      9.324692 
1 1 1 -30 2  17 o 13.65144 4.291527  -0.5590124     8.583055 
1 1 1 -30 2  18 o 13.00764 4.165131  -4.343850      8.330262 
1 1 1 -30 2  19 o 17.77337 4.946166  0.1465225E-01  9.892331 
1 1 1 -30 2  20 o 26.77997 4.721455  -14.06327      9.442910 
1 1 1 -30 2  21 o 15.51455 4.679589  -12.43553      9.359178 
1 1 1 -30 2  22 o 12.48646 5.913612  ?              ?        
1 1 1 -30 3  1  o 22.50673 4.199752  9.505774       8.399505 
1 1 1 -30 3  2  o 31.38187 3.841873  -12.92689      7.683745 
1 1 1 -30 3  3  o 17.75238 4.336094  -8.195174      8.672189 
1 1 1 -30 3  4  o 14.48503 4.209095  -2.884769      8.418191 
1 1 1 -30 3  5  o 27.05287 7.257748  ?              ?        
1 1 1 -30 3  6  o 18.87421 5.012603  -8.955439      10.02521 
1 1 1 -30 3  7  o 36.94964 4.041457  -14.75580      8.082913 
1 1 1 -30 3  8  o 16.55521 4.422046  -6.603388      8.844091 
1 1 1 -30 3  9  o 18.11287 4.234427  -13.11406      8.468854 
1 1 1 -30 3  10 o 17.27816 4.607877  -4.699765      9.215755 
1 1 1 -30 3  11 o 21.11660 6.866816  ?              ?        
1 1 1 -30 3  12 o 11.16012 3.731709  0.8127785      7.463418 
1 1 1 -30 3  13 o 25.90792 4.718713  -14.52422      9.437426 
1 1 1 -30 3  14 f 13.35701 4.201578  -3.304943      8.403156 
1 1 1 -30 3  15 o 12.97688 4.371239  4.521364       8.742478 
1 1 1 -30 3  16 o 11.13103 3.744808  -0.6051884     7.489616 
1 1 1 -30 3  17 o 16.02436 4.660203  -6.197644      9.320407 
1 1 1 -30 3  18 o 23.64972 4.975897  -11.18437      9.951795 
1 1 1 -30 3  19 o 24.13004 5.163634  -2.151066      10.32727 
1 1 1 -30 3  20 o 13.49430 4.350932  -3.906159      8.701864 
1 1 1 -30 3  21 o 12.83331 4.393107  -3.280735      8.786215 
1 1 1 -30 3  22 x ?        ?         ?              ?        
1 1 1 -30 4  1  o 20.13948 4.256970  -11.12138      8.513940 
1 1 1 -30 4  2  o 34.01374 3.729290  -17.59262      7.458580 
1 1 1 -30 4  3  o 19.14671 4.563690  0.3508568E-01  9.127379 
1 1 1 -30 4  4  o 15.00952 4.292411  -3.248805      8.584823 
1 1 1 -30 4  5  o 26.68069 4.623238  -5.033291      9.246476 
1 1 1 -30 4  6  o 22.28265 3.813128  -20.46566      7.626256 
1 1 1 -30 4  7  o 15.11422 4.565045  -2.900630      9.130091 
1 1 1 -30 4  8  o 11.36047 3.694060  3.704479       7.388120 
1 1 1 -30 4  9  o 18.11733 4.677192  -1.082193      9.354384 
1 1 1 -30 4  10 o 21.55792 4.093352  -15.92946      8.186704 
1 1 1 -30 4  11 f 14.59455 4.313878  -5.215036      8.627756 
1 1 1 -30 4  12 o 15.17198 4.341040  -7.320701      8.682079 
1 1 1 -30 4  13 o 31.86481 4.690768  -3.563320      9.381536 
1 1 1 -30 4  14 o 32.43882 4.114460  -18.40764      8.228920 
1 1 1 -30 4  15 o 14.82630 4.761484  6.757861       9.522967 
1 1 1 -30 4  16 o 11.94209 3.925143  -2.253824      7.850285 
1 1 1 -30 4  17 o 12.47776 4.152748  2.799346       8.305495 
1 1 1 -30 4  18 o 32.23904 4.244132  -28.24233      8.488263 
1 1 1 -30 4  19 o 19.03643 4.489195  -16.84784      8.978391 
1 1 1 -30 4  20 f 19.47651 4.986664  -12.01739      9.973329 
1 1 1 -30 4  21 o 11.53728 4.015152  -0.9989605     8.030304 
1 1 1 -30 5  1  o 27.52456 4.101902  -1.899961      8.203804 
1 1 1 -30 5  2  o 12.00588 3.840292  1.502866       7.680583 
1 1 1 -30 5  3  o 15.62579 4.416213  -0.3081293     8.832425 
1 1 1 -30 5  4  o 14.70965 4.370192  -1.480703      8.740384 
1 1 1 -30 5  5  o 16.78950 4.513718  6.758152       9.027436 
1 1 1 -30 5  6  o 39.40681 6.006947  ?              ?        
1 1 1 -30 5  7  o 23.80655 4.742219  -11.99145      9.484439 
1 1 1 -30 5  8  o 16.72429 3.968485  -14.80930      7.936969 
1 1 1 -30 5  9  o 25.09951 4.140425  -13.95574      8.280849 
1 1 1 -30 5  10 o 14.03760 4.309937  0.2294588      8.619875 
1 1 1 -30 5  11 o 12.33175 3.982738  0.3301210      7.965476 
1 1 1 -30 5  12 o 13.22688 4.141548  1.275269       8.283095 
1 1 1 -30 5  13 o 15.86296 4.856054  -6.021928      9.712108 
1 1 1 -30 5  14 o 25.82427 4.815545  -20.79427      9.631090 
1 1 1 -30 5  15 o 26.87147 4.523413  -22.55019      9.046825 
1 1 1 -30 5  16 o 13.52151 4.261959  1.874298       8.523917 
1 1 1 -30 5  17 o 19.79712 5.001820  -5.409428      10.00364 
1 1 1 -30 5  18 o 10.64782 3.680865  -4.452034      7.361730 
1 1 1 -30 5  19 o 17.50119 4.908700  -3.461993      9.817399 
1 1 1 -30 5  20 o 17.11351 5.259199  -8.989189      10.51840 
1 1 1 -30 5  21 o 16.16394 5.050433  -9.771523      10.10087 
1 1 1 -30 6  1  o 17.28468 4.517574  -9.315558      9.035148 
1 1 1 -30 6  2  o 14.95699 4.412821  -1.730889      8.825643 
1 1 1 -30 6  3  o 13.68123 4.187800  -1.426303      8.375600 
1 1 1 -30 6  4  o 26.95975 4.106826  13.83714       8.213653 
1 1 1 -30 6  5  f 34.37850 5.059250  ?              ?        
1 1 1 -30 6  6  o 17.63958 4.615354  -2.646029      9.230707 
1 1 1 -30 6  7  o 18.09940 4.340694  11.35864       8.681388 
1 1 1 -30 6  8  o 18.65029 4.477941  -8.461427      8.955881 
1 1 1 -30 6  9  o 16.13450 4.035319  11.79066       8.070639 
1 1 1 -30 6  10 o 31.74857 4.082873  -19.07939      8.165747 
1 1 1 -30 6  11 o 16.61274 4.685435  -0.6654377     9.370870 
1 1 1 -30 6  12 o 17.53843 4.740582  -6.053233      9.481163 
1 1 1 -30 6  13 o 13.52588 4.458061  -2.243768      8.916122 
1 1 1 -30 6  14 o 32.72428 5.289572  -13.23691      10.57914 
1 1 1 -30 6  15 o 25.75348 4.910886  -10.62363      9.821773 
1 1 1 -30 6  16 o 13.74394 4.255129  1.933244       8.510258 
1 1 1 -30 6  17 o 17.45226 4.901892  -8.129300      9.803784 
1 1 1 -30 6  18 o 19.67795 5.100143  1.398182       10.20029 
1 1 1 -30 6  19 o 22.90223 5.396546  -6.636215      10.79309 
1 1 1 -30 6  20 f 14.36466 4.544016  6.061337       9.088032 
1 1 1 -30 7  1  o 23.35386 4.174554  -19.45329      8.349109 
1 1 1 -30 7  2  o 16.79958 4.655188  3.862216       9.310375 
1 1 1 -30 7  3  o 22.63498 4.639992  -9.855795      9.279984 
1 1 1 -30 7  4  o 27.72968 3.994921  -25.36374      7.989841 
1 1 1 -30 7  5  o 21.30361 6.630131  ?              ?        
1 1 1 -30 7  6  o 15.17491 4.901235  4.505652       9.802470 
1 1 1 -30 7  7  o 27.51631 4.369718  -14.34164      8.739435 
1 1 1 -30 7  8  o 27.55898 3.861176  -28.53679      7.722353 
1 1 1 -30 7  9  o 19.54803 4.934429  -0.4202843E-01 9.868858 
1 1 1 -30 7  10 o 13.57511 4.311228  -4.960919      8.622456 
1 1 1 -30 7  11 o 22.75412 5.179923  -5.620239      10.35985 
1 1 1 -30 7  12 o 14.25091 4.719295  -6.042197      9.438590 
1 1 1 -30 7  13 o 12.83911 6.245372  ?              ?        
1 1 1 -30 7  14 o 23.40979 4.698500  -20.38539      9.396999 
1 1 1 -30 7  15 o 24.03779 5.140035  -0.3953171     10.28007 
1 1 1 -30 7  16 o 22.26926 5.070961  -13.07066      10.14192 
1 1 1 -30 7  17 f 31.20693 3.988301  -33.86632      7.976602 
1 1 1 -30 7  18 o 23.14433 4.259609  -26.16476      8.519217 
1 1 1 -30 7  19 o 15.32480 4.789091  -5.630862      9.578181 
1 1 1 -30 7  20 o 17.75140 5.445746  -4.840919      10.89149 
1 1 1 -30 8  1  o 14.54995 4.487806  -5.169496      8.975613 
1 1 1 -30 8  2  f 17.04801 4.514004  -13.19317      9.028008 
1 1 1 -30 8  3  o 19.28027 4.944535  0.9011269      9.889071 
1 1 1 -30 8  4  o 17.87732 6.660986  ?              ?        
1 1 1 -30 8  5  f 12.16705 4.034102  -1.525805      8.068205 
1 1 1 -30 8  6  o 25.19504 3.832336  -26.33830      7.664671 
1 1 1 -30 8  7  o 16.66414 4.724771  -2.714698      9.449542 
1 1 1 -30 8  8  o 24.73008 4.338667  -21.06037      8.677335 
1 1 1 -30 8  9  o 25.61772 4.844790  -8.467730      9.689580 
1 1 1 -30 8  10 o 15.52773 4.667361  -6.152294      9.334722 
1 1 1 -30 8  11 o 12.28920 4.077122  -2.603858      8.154243 
1 1 1 -30 8  12 o 17.51757 6.176367  ?              ?        
1 1 1 -30 8  13 o 33.80705 9.543778  ?              ?        
1 1 1 -30 8  14 o 30.71666 4.473027  -20.31063      8.946054 
1 1 1 -30 8  15 o 18.63013 5.110493  -9.069143      10.22099 
1 1 1 -30 8  16 o 22.78979 5.066014  -19.52672      10.13203 
1 1 1 -30 8  17 o 19.14455 5.317295  -7.509723      10.63459 
1 1 1 -30 8  18 o 15.28511 4.527508  4.297272       9.055017 
1 1 1 -30 8  19 o 19.43463 5.971249  -5.103058      11.94250 
1 1 1 -30 9  1  o 13.52252 4.252704  -0.7516136     8.505407 
1 1 1 -30 9  2  o 21.71264 5.154348  -5.949532      10.30870 
1 1 1 -30 9  3  o 12.40649 5.644484  ?              ?        
1 1 1 -30 9  4  o 21.79752 4.957098  -10.75154      9.914195 
1 1 1 -30 9  5  o 18.78808 7.431655  ?              ?        
1 1 1 -30 9  6  o 14.53076 4.463390  -2.780779      8.926781 
1 1 1 -30 9  7  o 16.36154 4.720282  4.393947       9.440563 
1 1 1 -30 9  8  o 19.74611 4.787145  0.7325954      9.574289 
1 1 1 -30 9  9  o 14.90000 4.511134  -8.118254      9.022267 
1 1 1 -30 9  10 o 12.53962 4.060153  0.1681480      8.120306 
1 1 1 -30 9  11 o 13.69386 4.491392  -1.914871      8.982783 
1 1 1 -30 9  12 o 13.75621 4.389182  -1.611717      8.778364 
1 1 1 -30 9  13 o 19.04681 5.477557  -7.583391      10.95511 
1 1 1 -30 9  14 o 14.69711 4.670654  -9.243945      9.341309 
1 1 1 -30 9  15 o 19.40380 5.037407  3.852945       10.07481 
1 1 1 -30 9  16 o 11.40987 3.955173  -3.180188      7.910347 
1 1 1 -30 9  17 o 22.22822 5.279004  -15.71525      10.55801 
1 1 1 -30 10 2  o 13.46801 4.361312  -11.06474      8.722624 
1 1 1 -30 10 3  o 25.20681 3.831504  -29.97240      7.663007 
1 1 1 -30 10 4  o 45.66171 5.437343  ?              ?        
1 1 1 -30 10 5  o 15.61759 4.744172  -0.2006092     9.488343 
1 1 1 -30 10 6  o 19.04550 5.108103  -8.226667      10.21621 
1 1 1 -30 10 7  o 25.54564 5.350681  -6.130531      10.70136 
1 1 1 -30 10 8  o 19.13743 5.085164  -9.708303      10.17033 
1 1 1 -30 10 9  f 14.70517 4.628353  -4.212605      9.256705 
1 1 1 -30 10 10 o 15.15669 4.685696  -9.797297      9.371391 
1 1 1 -30 10 11 f 15.15342 4.758862  -1.939366      9.517723 
1 1 1 -30 10 12 o 14.66266 4.860441  -1.345091      9.720881 
1 1 1 -30 10 13 o 16.38362 4.917483  -7.991884      9.834966 
1 1 1 -30 10 14 o 24.67761 5.430938  -2.308113      10.86188 
1 1 1 -30 10 15 f 14.74997 4.658452  -5.937420      9.316903 
1 1 1 -30 10 16 o 24.53320 5.028552  -17.52076      10.05710 
1 1 1 -30 11 4  o 12.48462 4.081896  -6.202739      8.163793 
1 1 1 -30 11 5  o 11.48610 3.832314  0.2105331      7.664627 
1 1 1 -30 11 6  o 19.76073 4.665757  -13.97535      9.331513 
1 1 1 -30 11 7  o 15.99533 4.624780  5.737882       9.249560 
1 1 1 -30 11 8  o 14.68585 4.487141  1.691105       8.974282 
1 1 1 -30 11 9  o 21.43016 5.237332  -8.941828      10.47466 
1 1 1 -30 11 10 o 24.34667 6.323912  -8.799522      12.64782 
1 1 1 -30 11 11 o 25.31568 8.132554  ?              ?        
1 1 1 -30 11 12 o 13.83829 4.423283  -3.351030      8.846566 
1 1 1 -30 11 13 o 14.29661 4.532583  -0.4806919     9.065166 
1 1 1 -29 0  1  o 21.46749 9.482281  -0.000000      0.000000 
1 1 1 -29 0  2  f 20.58795 7.993834  -0.000000      0.000000 
1 1 1 -29 0  3  o 10.60438 6.652484  -0.000000      0.000000 
1 1 1 -29 0  4  o 8.832980 5.917734  -0.000000      0.000000 
1 1 1 -29 0  5  o 17.95277 7.950741  0.000000       0.000000 
1 1 1 -29 0  6  f 11.93681 7.150275  -0.000000      0.000000 
1 1 1 -29 0  7  o 30.20219 9.463814  0.000000       0.000000 
1 1 1 -29 0  8  f 13.17652 7.584553  0.000000       0.000000 
1 1 1 -29 0  9  o 32.61585 8.948805  -0.000000      0.000000 
1 1 1 -29 0  10 o 29.09402 6.799275  -0.000000      0.000000 
1 1 1 -29 0  11 o 42.98723 4.411378  -0.000000      0.000000 
1 1 1 -29 0  12 o 38.70393 4.871603  0.000000       0.000000 
1 1 1 -29 0  13 o 9.446250 6.302237  0.000000       0.000000 
1 1 1 -29 0  14 o 8.291825 5.761909  -0.000000      0.000000 
1 1 1 -29 0  15 o 10.04976 6.934936  -0.000000      0.000000 
1 1 1 -29 0  16 o 14.48254 8.085246  0.000000       0.000000 
1 1 1 -29 0  17 o 15.09724 8.408457  0.000000       0.000000 
1 1 1 -29 0  18 f 14.80842 8.190667  -0.000000      0.000000 
1 1 1 -29 0  19 o 15.90297 8.509271  -0.000000      0.000000 
1 1 1 -29 0  20 o 30.11898 7.354212  -0.000000      0.000000 
1 1 1 -29 0  21 o 8.021245 5.613717  -0.000000      0.000000 
1 1 1 -29 0  22 o 15.33130 9.052858  0.000000       0.000000 
1 1 1 -29 0  23 o 20.17803 9.748285  -0.000000      0.000000 
1 1 1 -29 0  24 x ?        ?         ?              ?        
1 1 1 -29 1  1  o 18.71733 5.224618  5.270571       10.44924 
1 1 1 -29 1  2  o 33.27780 3.671263  10.69881       7.342526 
1 1 1 -29 1  3  o 37.32896 3.176747  -4.653111      6.353494 
1 1 1 -29 1  4  o 19.62056 4.271170  -10.81009      8.542340 
1 1 1 -29 1  5  o 16.68033 4.569043  0.1430149      9.138086 
1 1 1 -29 1  6  o 34.91254 3.622820  10.27964       7.245641 
1 1 1 -29 1  7  o 23.74032 4.790146  22.45572       9.580293 
1 1 1 -29 1  8  o 43.88069 3.058813  0.3650017      6.117626 
1 1 1 -29 1  9  o 28.52763 5.027226  -8.970804      10.05445 
1 1 1 -29 1  10 o 23.86424 4.702444  2.725819       9.404887 
1 1 1 -29 1  11 o 25.32180 4.441985  10.42740       8.883969 
1 1 1 -29 1  12 o 25.88173 4.565228  5.739918       9.130457 
1 1 1 -29 1  13 o 24.20633 4.701358  7.479290       9.402716 
1 1 1 -29 1  14 o 19.29104 4.524705  -10.47602      9.049410 
1 1 1 -29 1  15 o 14.96209 4.802976  -0.4266605     9.605952 
1 1 1 -29 1  16 o 17.52001 4.653458  -6.961848      9.306915 
1 1 1 -29 1  17 o 24.82872 4.941166  3.035011       9.882332 
1 1 1 -29 1  18 o 17.97491 4.830021  -0.7006950     9.660042 
1 1 1 -29 1  19 o 21.71807 7.165884  ?              ?        
1 1 1 -29 1  20 o 14.81768 4.487268  -3.111197      8.974537 
1 1 1 -29 1  21 o 30.08974 4.655819  1.324955       9.311638 
1 1 1 -29 1  22 o 25.05714 6.011566  -7.236376      12.02313 
1 1 1 -29 1  23 o 20.37213 5.418380  5.095692       10.83676 
1 1 1 -29 1  24 x ?        ?         ?              ?        
1 1 1 -29 2  1  o 24.51060 4.749069  -9.737307      9.498138 
1 1 1 -29 2  2  o 15.95499 4.435006  1.229419       8.870011 
1 1 1 -29 2  3  o 29.63894 4.083757  8.147671       8.167514 
1 1 1 -29 2  4  o 27.33695 6.249678  ?              ?        
1 1 1 -29 2  5  o 32.13496 4.025368  -17.14867      8.050735 
1 1 1 -29 2  6  o 16.17670 4.500558  2.210780       9.001116 
1 1 1 -29 2  7  o 32.42480 4.656271  7.816795       9.312541 
1 1 1 -29 2  8  o 22.85797 5.183327  0.2834034      10.36665 
1 1 1 -29 2  9  o 11.98822 4.012887  1.047610       8.025774 
1 1 1 -29 2  10 o 12.06184 3.926978  1.357112       7.853956 
1 1 1 -29 2  11 o 34.75924 3.970089  -6.159637      7.940178 
1 1 1 -29 2  12 f 32.91328 3.854919  -2.591101      7.709839 
1 1 1 -29 2  13 o 20.83497 4.848743  3.937374       9.697487 
1 1 1 -29 2  14 o 24.12703 4.610205  -10.89617      9.220409 
1 1 1 -29 2  15 o 21.12606 5.114894  9.075331       10.22979 
1 1 1 -29 2  16 o 26.54522 5.132226  -9.011850      10.26445 
1 1 1 -29 2  17 o 13.57119 4.180733  -3.806655      8.361465 
1 1 1 -29 2  18 o 30.85439 4.574446  -4.660873      9.148892 
1 1 1 -29 2  19 o 21.74039 4.883901  6.557547       9.767802 
1 1 1 -29 2  20 o 27.85896 4.795501  8.863766       9.591002 
1 1 1 -29 2  21 o 27.18417 4.915132  6.997469       9.830263 
1 1 1 -29 2  22 o 19.81939 5.701477  -5.935293      11.40295 
1 1 1 -29 2  23 o 13.00646 4.291846  4.331232       8.583692 
1 1 1 -29 2  24 x ?        ?         ?              ?        
1 1 1 -29 3  1  o 18.48748 4.860634  -2.921799      9.721268 
1 1 1 -29 3  2  o 15.48414 4.389512  -1.784769      8.779023 
1 1 1 -29 3  3  o 23.29684 4.520091  -3.722042      9.040182 
1 1 1 -29 3  4  o 23.18525 4.436967  -3.427975      8.873934 
1 1 1 -29 3  5  o 17.69736 4.166591  -9.601721      8.333181 
1 1 1 -29 3  6  f 20.15462 5.032238  9.149683       10.06448 
1 1 1 -29 3  7  o 13.46379 4.299664  -4.911726      8.599329 
1 1 1 -29 3  8  o 20.07159 5.049333  0.1466236      10.09867 
1 1 1 -29 3  9  o 18.10638 4.604356  -4.022985      9.208713 
1 1 1 -29 3  10 o 21.88054 4.782556  5.691320       9.565111 
1 1 1 -29 3  11 o 19.55747 4.773286  -1.147015      9.546572 
1 1 1 -29 3  12 o 25.95074 4.370840  -10.95570      8.741679 
1 1 1 -29 3  13 o 12.87437 5.859564  ?              ?        
1 1 1 -29 3  14 o 18.44014 5.031081  -1.478739      10.06216 
1 1 1 -29 3  15 o 27.42074 8.117583  ?              ?        
1 1 1 -29 3  16 o 17.95076 4.904989  4.450747       9.809978 
1 1 1 -29 3  17 o 21.94267 4.526515  -12.11595      9.053030 
1 1 1 -29 3  18 o 14.54853 4.376141  -7.038413      8.752282 
1 1 1 -29 3  19 o 19.95235 4.907609  -1.283495      9.815219 
1 1 1 -29 3  20 o 15.63614 4.662404  0.1676970      9.324808 
1 1 1 -29 3  21 o 15.10363 4.382605  -10.80865      8.765210 
1 1 1 -29 3  22 o 18.90624 5.594453  -4.835556      11.18891 
1 1 1 -29 3  23 o 13.10977 6.142949  ?              ?        
1 1 1 -29 3  24 x ?        ?         ?              ?        
1 1 1 -29 4  1  o 27.99783 4.089652  3.627474       8.179304 
1 1 1 -29 4  2  o 33.08712 3.631723  -4.981628      7.263445 
1 1 1 -29 4  3  f 21.02354 4.517794  3.452120       9.035587 
1 1 1 -29 4  4  o 41.97434 2.967505  -0.7168922     5.935010 
1 1 1 -29 4  5  o 22.23567 4.475581  1.985809       8.951162 
1 1 1 -29 4  6  o 17.43383 4.482606  -5.651994      8.965212 
1 1 1 -29 4  7  o 13.65462 4.150816  -3.649301      8.301633 
1 1 1 -29 4  8  o 14.67769 4.586408  2.042789       9.172816 
1 1 1 -29 4  9  o 18.31496 4.646669  -1.081785      9.293338 
1 1 1 -29 4  10 o 19.93443 5.386243  -1.559961      10.77249 
1 1 1 -29 4  11 o 18.78627 5.463368  -3.119581      10.92674 
1 1 1 -29 4  12 f 16.44597 4.523134  -1.955104      9.046268 
1 1 1 -29 4  13 o 28.22229 4.159002  10.71459       8.318004 
1 1 1 -29 4  14 o 28.30839 4.411098  -19.81448      8.822197 
1 1 1 -29 4  15 f 11.05406 3.703114  4.575533       7.406227 
1 1 1 -29 4  16 f 17.01429 5.198348  0.9963951      10.39670 
1 1 1 -29 4  17 o 12.54720 4.033453  -2.755652      8.066907 
1 1 1 -29 4  18 o 13.67995 4.215711  -3.479989      8.431422 
1 1 1 -29 4  19 o 13.20647 4.208905  2.753111       8.417810 
1 1 1 -29 4  20 o 14.27471 4.404434  3.003055       8.808868 
1 1 1 -29 4  21 o 12.79631 4.122944  0.5171280      8.245889 
1 1 1 -29 4  22 o 13.11405 4.436788  -2.766380      8.873575 
1 1 1 -29 4  23 x ?        ?         ?              ?        
1 1 1 -29 4  24 x ?        ?         ?              ?        
1 1 1 -29 5  1  o 19.92350 4.400285  -2.152187      8.800570 
1 1 1 -29 5  2  o 26.71150 3.903806  -15.55478      7.807611 
1 1 1 -29 5  3  o 25.35746 4.184339  -3.977669      8.368678 
1 1 1 -29 5  4  o 14.45457 4.106646  -1.178296      8.213292 
1 1 1 -29 5  5  o 28.51259 4.097369  -19.85798      8.194738 
1 1 1 -29 5  6  o 27.99443 4.654564  -0.1594963     9.309129 
1 1 1 -29 5  7  o 18.54565 4.842016  2.777977       9.684031 
1 1 1 -29 5  8  o 15.21192 4.272550  -5.836853      8.545100 
1 1 1 -29 5  9  o 18.83014 4.557196  2.359613       9.114392 
1 1 1 -29 5  10 o 28.59665 5.185248  -10.65436      10.37050 
1 1 1 -29 5  11 o 21.40693 5.409861  -6.627804      10.81972 
1 1 1 -29 5  12 o 12.79188 4.064332  3.713485       8.128665 
1 1 1 -29 5  13 o 12.26624 3.954989  -0.1421442     7.909978 
1 1 1 -29 5  14 o 21.43953 5.393521  -1.043377      10.78704 
1 1 1 -29 5  15 o 31.40942 4.976416  -10.43566      9.952832 
1 1 1 -29 5  16 o 19.40779 5.095053  -6.525530      10.19011 
1 1 1 -29 5  17 o 35.16991 4.086742  -22.43135      8.173485 
1 1 1 -29 5  18 o 15.50686 4.629190  -4.165819      9.258380 
1 1 1 -29 5  19 o 20.36247 5.037350  -7.848026      10.07470 
1 1 1 -29 5  20 o 19.42528 5.212472  -2.686966      10.42494 
1 1 1 -29 5  21 o 18.00030 5.079199  -0.9098930     10.15840 
1 1 1 -29 5  22 o 16.40165 5.045430  2.557182       10.09086 
1 1 1 -29 5  23 x ?        ?         ?              ?        
1 1 1 -29 6  1  o 14.18372 4.189373  1.633977       8.378745 
1 1 1 -29 6  2  o 13.70437 3.997669  -4.956884      7.995337 
1 1 1 -29 6  3  o 13.11523 4.006217  -3.209041      8.012434 
1 1 1 -29 6  4  o 10.88575 3.574499  -2.600404      7.148998 
1 1 1 -29 6  5  o 10.30516 3.472218  0.6807623      6.944437 
1 1 1 -29 6  6  f 16.72339 4.867091  -9.584435      9.734181 
1 1 1 -29 6  7  o 22.88373 4.446669  -8.388041      8.893337 
1 1 1 -29 6  8  o 28.99686 4.161781  -16.26280      8.323563 
1 1 1 -29 6  9  o 36.33757 3.960093  -28.92691      7.920187 
1 1 1 -29 6  10 o 22.53387 5.524793  3.164387       11.04959 
1 1 1 -29 6  11 o 15.97893 4.850350  -1.667286      9.700701 
1 1 1 -29 6  12 o 14.00878 4.254166  4.219804       8.508332 
1 1 1 -29 6  13 o 34.41599 4.513789  -9.979652      9.027577 
1 1 1 -29 6  14 o 18.00881 4.971644  2.720989       9.943289 
1 1 1 -29 6  15 o 19.29133 5.144022  -14.84546      10.28804 
1 1 1 -29 6  16 o 32.10426 4.329833  -9.993956      8.659665 
1 1 1 -29 6  17 o 46.16605 3.589271  -31.21194      7.178541 
1 1 1 -29 6  18 o 31.65472 4.324338  -16.23082      8.648677 
1 1 1 -29 6  19 o 28.81287 4.814667  -1.403913      9.629334 
1 1 1 -29 6  20 o 25.23455 4.977622  -12.55444      9.955244 
1 1 1 -29 6  21 o 19.68735 5.781642  -2.404312      11.56328 
1 1 1 -29 6  22 o 13.40905 6.108868  ?              ?        
1 1 1 -29 6  23 x ?        ?         ?              ?        
1 1 1 -29 7  1  o 19.36214 4.695829  -7.826645      9.391659 
1 1 1 -29 7  2  f 19.29551 4.650817  -7.234933      9.301635 
1 1 1 -29 7  3  o 32.82016 3.938370  -22.14213      7.876740 
1 1 1 -29 7  4  o 29.18629 4.186914  -17.33480      8.373829 
1 1 1 -29 7  5  o 32.69768 3.871732  -9.760366      7.743464 
1 1 1 -29 7  6  o 14.15190 4.501698  -4.219695      9.003396 
1 1 1 -29 7  7  o 31.64870 4.064611  -31.89319      8.129222 
1 1 1 -29 7  8  o 34.40984 3.991385  -19.31654      7.982769 
1 1 1 -29 7  9  o 13.21282 4.129975  1.872718       8.259950 
1 1 1 -29 7  10 o 20.15569 5.367301  -3.771225      10.73460 
1 1 1 -29 7  11 o 21.78720 4.359668  -14.86395      8.719336 
1 1 1 -29 7  12 o 13.08277 4.126831  -1.427167      8.253662 
1 1 1 -29 7  13 o 13.74723 4.309391  2.226075       8.618782 
1 1 1 -29 7  14 o 17.05875 5.084772  -7.059083      10.16954 
1 1 1 -29 7  15 o 14.39490 4.649982  -0.2549858     9.299964 
1 1 1 -29 7  16 o 16.61913 4.798409  -1.970494      9.596817 
1 1 1 -29 7  17 o 16.83071 4.620924  -11.35627      9.241848 
1 1 1 -29 7  18 o 21.55104 4.585320  -18.74547      9.170640 
1 1 1 -29 7  19 o 14.23277 4.464791  -1.530060      8.929583 
1 1 1 -29 7  20 o 12.44594 4.099373  2.495983       8.198746 
1 1 1 -29 7  21 o 13.27445 4.551931  -4.605583      9.103862 
1 1 1 -29 7  22 x ?        ?         ?              ?        
1 1 1 -29 8  1  o 30.60951 4.251499  -16.01006      8.502998 
1 1 1 -29 8  2  o 16.40997 4.510232  -6.496984      9.020464 
1 1 1 -29 8  3  o 16.96740 4.031040  -14.19879      8.062080 
1 1 1 -29 8  4  f 16.44761 4.586785  -0.6040707     9.173570 
1 1 1 -29 8  5  o 11.95838 5.465443  ?              ?        
1 1 1 -29 8  6  o 15.68474 4.393326  -7.520972      8.786653 
1 1 1 -29 8  7  o 32.26270 4.070459  -24.31835      8.140919 
1 1 1 -29 8  8  o 22.91124 4.756525  -8.314730      9.513049 
1 1 1 -29 8  9  o 20.54564 4.884148  -8.020658      9.768295 
1 1 1 -29 8  10 o 25.59809 5.281303  -18.10087      10.56261 
1 1 1 -29 8  11 o 19.59144 4.874808  -8.374063      9.749616 
1 1 1 -29 8  12 o 16.67004 4.393619  -13.21447      8.787238 
1 1 1 -29 8  13 o 19.92753 5.436720  -6.737188      10.87344 
1 1 1 -29 8  14 f 27.66905 4.677707  -7.586229      9.355413 
1 1 1 -29 8  15 o 16.30513 4.649293  -8.167636      9.298586 
1 1 1 -29 8  16 o 16.43006 4.837874  -6.212032      9.675749 
1 1 1 -29 8  17 f 26.44703 5.225196  -2.464928      10.45039 
1 1 1 -29 8  18 o 18.08616 5.006765  -0.1663074     10.01353 
1 1 1 -29 8  19 o 16.33037 4.933259  -2.356669      9.866518 
1 1 1 -29 8  20 o 15.73750 5.306631  -6.939960      10.61326 
1 1 1 -29 8  21 o 12.57817 5.853889  ?              ?        
1 1 1 -29 9  1  o 29.54406 3.871079  -29.56885      7.742158 
1 1 1 -29 9  2  o 16.87566 4.728742  0.3722553      9.457483 
1 1 1 -29 9  3  f 31.79940 4.321372  -19.19697      8.642743 
1 1 1 -29 9  4  f 14.05208 6.318504  ?              ?        
1 1 1 -29 9  5  o 14.69340 4.501951  0.8266592      9.003902 
1 1 1 -29 9  6  o 48.60628 4.114402  ?              ?        
1 1 1 -29 9  7  o 25.35487 4.390759  -15.71867      8.781518 
1 1 1 -29 9  8  o 23.98268 3.930314  -22.66585      7.860627 
1 1 1 -29 9  9  o 12.86012 4.089152  0.9257765      8.178305 
1 1 1 -29 9  10 o 20.12056 5.422511  -8.901353      10.84502 
1 1 1 -29 9  11 f 19.08151 5.144346  -0.3244934     10.28869 
1 1 1 -29 9  12 o 45.53049 4.197225  -27.31229      8.394450 
1 1 1 -29 9  13 o 14.47704 4.742157  -7.522325      9.484314 
1 1 1 -29 9  14 o 18.94960 5.291830  -3.699018      10.58366 
1 1 1 -29 9  15 o 17.08820 4.955122  -4.212515      9.910244 
1 1 1 -29 9  16 o 21.49823 4.924365  -16.38189      9.848729 
1 1 1 -29 9  17 o 26.59745 4.772648  -19.87860      9.545296 
1 1 1 -29 9  18 o 27.81952 4.432394  -26.86125      8.864787 
1 1 1 -29 9  19 o 13.43948 4.417073  1.734734       8.834146 
1 1 1 -29 9  20 o 13.62357 6.123435  ?              ?        
1 1 1 -29 10 1  o 19.57914 4.579402  -11.40841      9.158804 
1 1 1 -29 10 2  o 12.49635 4.052697  -0.8423471     8.105394 
1 1 1 -29 10 3  o 24.07284 7.002514  ?              ?        
1 1 1 -29 10 4  o 16.18338 4.314444  -11.30816      8.628888 
1 1 1 -29 10 5  o 14.72618 6.372326  ?              ?        
1 1 1 -29 10 6  o 14.66523 6.508889  ?              ?        
1 1 1 -29 10 7  o 31.40458 4.664248  -0.9496460     9.328496 
1 1 1 -29 10 8  o 16.41028 4.734013  -5.288331      9.468026 
1 1 1 -29 10 9  o 15.57306 4.495054  -1.656458      8.990108 
1 1 1 -29 10 10 o 21.13030 5.503431  -7.714594      11.00686 
1 1 1 -29 10 11 f 23.46163 6.448824  ?              ?        
1 1 1 -29 10 12 o 27.85608 9.756650  ?              ?        
1 1 1 -29 10 13 o 31.98667 9.108202  ?              ?        
1 1 1 -29 10 14 o 30.36517 4.284489  -7.348167      8.568977 
1 1 1 -29 10 15 o 10.66834 5.004850  ?              ?        
1 1 1 -29 10 16 o 14.51017 4.525564  -6.598953      9.051128 
1 1 1 -29 10 17 o 17.09294 4.973031  -2.764308      9.946062 
1 1 1 -29 10 18 o 15.74256 4.861103  -3.696294      9.722205 
1 1 1 -29 10 19 f 18.18474 5.294681  2.424314       10.58936 
1 1 1 -29 11 1  o 15.05882 4.776232  -9.036757      9.552464 
1 1 1 -29 11 2  o 14.98404 4.703624  0.1145096      9.407248 
1 1 1 -29 11 3  o 16.81305 4.708170  -3.011177      9.416340 
1 1 1 -29 11 4  o 22.09653 7.039331  ?              ?        
1 1 1 -29 11 5  o 34.81509 4.179547  -16.05911      8.359095 
1 1 1 -29 11 6  o 38.47910 4.090470  -14.20534      8.180940 
1 1 1 -29 11 7  f 14.66883 4.474445  1.541374       8.948890 
1 1 1 -29 11 8  o 19.40880 4.995052  -4.616674      9.990104 
1 1 1 -29 11 9  f 21.16248 4.761858  -12.64057      9.523717 
1 1 1 -29 11 10 o 26.54324 5.103066  -27.09157      10.20613 
1 1 1 -29 11 11 o 24.78715 6.292232  ?              ?        
1 1 1 -29 11 12 o 32.89241 6.149546  -20.57082      12.29909 
1 1 1 -29 11 13 o 21.12795 5.128824  -1.559093      10.25765 
1 1 1 -29 11 14 o 16.29874 4.800747  -4.356580      9.601494 
1 1 1 -29 11 15 o 18.10281 4.942935  -7.199781      9.885871 
1 1 1 -29 11 16 o 32.33590 4.549748  -21.59481      9.099497 
1 1 1 -29 11 17 o 12.84637 4.283688  -2.404488      8.567375 
1 1 1 -29 11 18 o 17.46512 5.467126  -13.08989      10.93425 
1 1 1 -29 12 1  o 14.84900 4.665478  -2.002019      9.330956 
1 1 1 -29 12 2  o 11.38426 3.802028  -2.223359      7.604056 
1 1 1 -29 12 3  o 21.74479 7.540167  ?              ?        
1 1 1 -29 12 4  o 23.42705 4.900606  -9.475964      9.801212 
1 1 1 -29 12 5  o 34.56923 4.162250  -26.30269      8.324499 
1 1 1 -29 12 6  o 12.02408 3.970828  -4.626435      7.941656 
1 1 1 -29 12 7  o 14.25505 4.358985  -6.203428      8.717970 
1 1 1 -29 12 8  o 19.90135 5.154412  3.066196       10.30882 
1 1 1 -29 12 9  o 16.00551 4.639807  -7.738098      9.279614 
1 1 1 -29 12 10 o 10.31545 4.969821  ?              ?        
1 1 1 -29 12 11 o 15.71728 4.592026  -9.507046      9.184052 
1 1 1 -29 12 12 o 15.79263 4.661119  -7.596142      9.322238 
1 1 1 -29 12 13 o 18.37551 5.175978  1.698572       10.35196 
1 1 1 -29 12 14 o 20.18915 4.462359  -19.18925      8.924718 
1 1 1 -29 12 15 o 29.50093 4.265981  -25.50192      8.531961 
1 1 1 -29 12 16 o 16.55474 4.941605  -6.313119      9.883209 
1 1 1 -29 13 3  o 20.73218 5.004442  -3.089399      10.00888 
1 1 1 -29 13 4  o 23.48740 4.529470  -12.22927      9.058941 
1 1 1 -29 13 5  o 18.48967 4.822773  -1.183893      9.645545 
1 1 1 -29 13 6  f 14.54082 4.452812  -0.3546009     8.905623 
1 1 1 -29 13 7  o 13.50006 4.196974  3.093778       8.393948 
1 1 1 -29 13 8  o 15.46047 4.847504  -0.5379162     9.695008 
1 1 1 -29 13 9  o 20.03897 5.421147  -15.28997      10.84229 
1 1 1 -29 13 10 o 16.88305 4.819666  3.288677       9.639332 
1 1 1 -29 13 11 o 16.92637 4.713696  4.522544       9.427391 
1 1 1 -29 13 12 o 15.65024 4.582921  5.132728       9.165841 
1 1 1 -29 13 13 o 14.27651 4.255653  -10.74630      8.511307 
1 1 1 -28 0  1  o 60.48986 3.421615  0.000000       0.000000 
1 1 1 -28 0  2  o 44.10638 6.004125  0.000000       0.000000 
1 1 1 -28 0  3  o 28.45197 6.375102  -0.000000      0.000000 
1 1 1 -28 0  4  o 29.60272 6.418265  0.000000       0.000000 
1 1 1 -28 0  5  o 16.67588 8.410138  -0.000000      0.000000 
1 1 1 -28 0  6  o 26.00307 7.400907  -0.000000      0.000000 
1 1 1 -28 0  7  o 41.97528 4.637836  0.000000       0.000000 
1 1 1 -28 0  8  o 13.99381 8.395211  -0.000000      0.000000 
1 1 1 -28 0  9  o 40.01342 7.643656  0.000000       0.000000 
1 1 1 -28 0  10 o 19.60316 9.772388  -0.000000      0.000000 
1 1 1 -28 0  11 o 23.06896 8.094917  -0.000000      0.000000 
1 1 1 -28 0  12 o 5.690031 4.214765  -0.000000      0.000000 
1 1 1 -28 0  13 o 16.46496 8.331342  -0.000000      0.000000 
1 1 1 -28 0  14 o 9.587890 6.383701  0.000000       0.000000 
1 1 1 -28 0  15 o 41.66335 4.607476  -0.000000      0.000000 
1 1 1 -28 0  16 o 16.57243 9.384901  -0.000000      0.000000 
1 1 1 -28 0  17 o 7.529335 5.368016  0.000000       0.000000 
1 1 1 -28 0  18 o 19.97066 10.05576  -0.000000      0.000000 
1 1 1 -28 0  19 o 15.61451 8.398979  0.000000       0.000000 
1 1 1 -28 0  20 o 7.754237 5.492836  0.000000       0.000000 
1 1 1 -28 0  21 o 22.65023 8.962502  0.000000       0.000000 
1 1 1 -28 0  22 o 22.80444 8.778538  0.000000       0.000000 
1 1 1 -28 0  23 o 7.906034 5.799514  -0.000000      0.000000 
1 1 1 -28 0  24 o 10.72249 7.299048  -0.000000      0.000000 
1 1 1 -28 0  25 x ?        ?         ?              ?        
1 1 1 -28 0  26 x ?        ?         ?              ?        
1 1 1 -28 1  1  o 17.82517 4.402030  -7.192966      8.804061 
1 1 1 -28 1  2  o 28.94447 4.825016  -13.65989      9.650032 
1 1 1 -28 1  3  o 58.03728 2.515904  -3.231377      5.031808 
1 1 1 -28 1  4  o 35.97320 3.457669  0.5102386      6.915338 
1 1 1 -28 1  5  o 16.70714 4.620134  2.699659       9.240269 
1 1 1 -28 1  6  o 24.89736 4.593946  -3.394958      9.187893 
1 1 1 -28 1  7  o 16.57153 4.407313  8.036535       8.814627 
1 1 1 -28 1  8  o 21.37026 5.694567  2.114714       11.38913 
1 1 1 -28 1  9  o 19.31080 5.452042  -5.901249      10.90408 
1 1 1 -28 1  10 o 38.21502 4.794714  -7.714531      9.589429 
1 1 1 -28 1  11 o 28.27866 4.559794  -8.982771      9.119589 
1 1 1 -28 1  12 f 35.35280 3.715056  -6.903543      7.430112 
1 1 1 -28 1  13 o 26.64039 4.461016  3.705408       8.922032 
1 1 1 -28 1  14 o 20.33362 4.796993  -1.131870      9.593986 
1 1 1 -28 1  15 o 14.01619 4.275203  4.420969       8.550406 
1 1 1 -28 1  16 o 20.89797 5.311753  -11.51410      10.62351 
1 1 1 -28 1  17 o 32.90308 4.042725  -7.720179      8.085450 
1 1 1 -28 1  18 o 11.76934 3.976492  0.3750582      7.952984 
1 1 1 -28 1  19 o 15.19829 4.208295  10.29142       8.416590 
1 1 1 -28 1  20 o 36.75708 3.641083  2.365082       7.282166 
1 1 1 -28 1  21 o 14.25816 4.326632  -6.398564      8.653264 
1 1 1 -28 1  22 o 19.09513 4.828312  -7.935111      9.656624 
1 1 1 -28 1  23 o 25.22303 5.843811  -13.91749      11.68762 
1 1 1 -28 1  24 o 31.70751 6.109088  0.3604488      12.21818 
1 1 1 -28 1  25 x ?        ?         ?              ?        
1 1 1 -28 1  26 x ?        ?         ?              ?        
1 1 1 -28 2  1  o 27.41470 4.712455  -12.22016      9.424910 
1 1 1 -28 2  2  o 39.59380 4.697143  -14.81059      9.394285 
1 1 1 -28 2  3  o 13.83018 4.197491  -0.8410692     8.394981 
1 1 1 -28 2  4  o 25.65073 4.226042  -13.70773      8.452085 
1 1 1 -28 2  5  o 32.25013 3.883353  -2.379452      7.766705 
1 1 1 -28 2  6  o 17.52275 4.356064  11.78501       8.712128 
1 1 1 -28 2  7  o 21.65425 4.793219  -0.6073112     9.586438 
1 1 1 -28 2  8  o 28.24578 5.111770  8.477615       10.22354 
1 1 1 -28 2  9  o 37.64547 5.415576  8.666317       10.83115 
1 1 1 -28 2  10 o 31.40429 4.931107  5.029831       9.862213 
1 1 1 -28 2  11 o 38.41235 3.329550  -0.5508919     6.659101 
1 1 1 -28 2  12 o 32.91808 3.792624  -1.418407      7.585248 
1 1 1 -28 2  13 o 34.55932 5.530575  ?              ?        
1 1 1 -28 2  14 f 46.70258 3.074608  -6.975853      6.149216 
1 1 1 -28 2  15 o 27.05976 4.455396  -4.698116      8.910792 
1 1 1 -28 2  16 o 20.20689 5.769503  2.585890       11.53901 
1 1 1 -28 2  17 o 21.45739 4.889820  7.168886       9.779639 
1 1 1 -28 2  18 f 15.79802 4.535337  -3.383122      9.070674 
1 1 1 -28 2  19 o 24.85321 4.793767  2.133841       9.587535 
1 1 1 -28 2  20 o 25.48148 4.678768  5.549990       9.357535 
1 1 1 -28 2  21 o 26.15277 4.711673  -5.172888      9.423346 
1 1 1 -28 2  22 o 16.72445 4.684690  -4.041888      9.369379 
1 1 1 -28 2  23 o 12.74722 4.382705  -2.826776      8.765410 
1 1 1 -28 2  24 o 12.21128 4.198913  0.6528902      8.397825 
1 1 1 -28 2  25 x ?        ?         ?              ?        
1 1 1 -28 2  26 x ?        ?         ?              ?        
1 1 1 -28 3  1  o 32.13239 4.440239  -1.852417      8.880478 
1 1 1 -28 3  2  o 30.66866 4.331779  -24.85927      8.663557 
1 1 1 -28 3  3  o 76.20895 2.309756  -10.74745      4.619511 
1 1 1 -28 3  4  o 18.25983 4.131187  -10.65095      8.262374 
1 1 1 -28 3  5  o 25.03900 4.471056  5.196320       8.942113 
1 1 1 -28 3  6  f 15.59063 4.409089  10.67484       8.818178 
1 1 1 -28 3  7  o 16.83633 4.932481  5.055505       9.864963 
1 1 1 -28 3  8  o 48.29738 3.412346  -6.603241      6.824692 
1 1 1 -28 3  9  o 41.76274 5.433543  ?              ?        
1 1 1 -28 3  10 o 47.94843 3.255653  -14.12831      6.511306 
1 1 1 -28 3  11 o 15.74175 4.301832  -5.575952      8.603664 
1 1 1 -28 3  12 o 16.89482 4.302441  -7.309018      8.604882 
1 1 1 -28 3  13 o 19.92338 4.289801  -9.228682      8.579601 
1 1 1 -28 3  14 o 33.35868 3.748559  -3.059185      7.497118 
1 1 1 -28 3  15 f 22.59593 4.597299  2.018105       9.194597 
1 1 1 -28 3  16 o 22.05934 5.301931  -4.906118      10.60386 
1 1 1 -28 3  17 o 24.09383 4.810219  -14.11233      9.620438 
1 1 1 -28 3  18 o 35.98938 3.827064  -7.925419      7.654128 
1 1 1 -28 3  19 o 15.44656 4.506623  1.191050       9.013247 
1 1 1 -28 3  20 o 18.60352 4.663262  -5.549275      9.326524 
1 1 1 -28 3  21 o 17.47766 4.422974  11.31975       8.845947 
1 1 1 -28 3  22 o 12.51152 4.026705  -5.021360      8.053410 
1 1 1 -28 3  23 o 14.75159 4.852691  -4.583873      9.705381 
1 1 1 -28 3  24 o 21.67678 7.959710  ?              ?        
1 1 1 -28 3  25 x ?        ?         ?              ?        
1 1 1 -28 3  26 x ?        ?         ?              ?        
1 1 1 -28 4  1  o 17.75443 4.349924  -4.229190      8.699848 
1 1 1 -28 4  2  o 24.47546 4.473370  3.777929       8.946740 
1 1 1 -28 4  3  o 19.13500 4.098966  -11.11656      8.197932 
1 1 1 -28 4  4  f 36.78014 3.302256  6.387531       6.604511 
1 1 1 -28 4  5  o 39.47568 3.912907  -22.49054      7.825815 
1 1 1 -28 4  6  o 46.42061 3.020210  -7.811859      6.040420 
1 1 1 -28 4  7  o 31.77184 4.711343  -10.17668      9.422687 
1 1 1 -28 4  8  o 40.28475 3.267276  2.000668       6.534552 
1 1 1 -28 4  9  o 13.07470 4.420575  4.448543       8.841150 
1 1 1 -28 4  10 o 38.12948 4.105978  -19.66131      8.211956 
1 1 1 -28 4  11 o 58.44489 2.589446  -8.512932      5.178892 
1 1 1 -28 4  12 o 32.85192 3.732539  7.906078       7.465079 
1 1 1 -28 4  13 o 24.14480 4.755874  -1.113531      9.511747 
1 1 1 -28 4  14 o 35.60267 3.874929  -10.22417      7.749857 
1 1 1 -28 4  15 o 31.94948 4.737591  -14.86636      9.475183 
1 1 1 -28 4  16 o 14.40207 4.305885  7.952820       8.611770 
1 1 1 -28 4  17 o 21.86584 5.126632  -10.28372      10.25326 
1 1 1 -28 4  18 o 20.34709 4.758857  -1.540888      9.517715 
1 1 1 -28 4  19 o 16.32579 4.428425  -5.502458      8.856850 
1 1 1 -28 4  20 f 12.34659 3.938135  -4.694381      7.876271 
1 1 1 -28 4  21 o 16.73875 4.395579  -10.61701      8.791158 
1 1 1 -28 4  22 o 13.92544 4.375412  0.5536613      8.750824 
1 1 1 -28 4  23 f 22.48231 6.043352  -2.321556      12.08670 
1 1 1 -28 4  24 x ?        ?         ?              ?        
1 1 1 -28 4  25 x ?        ?         ?              ?        
1 1 1 -28 5  1  o 20.67278 5.064516  -0.3385029     10.12903 
1 1 1 -28 5  2  o 26.38716 4.232431  -4.700661      8.464862 
1 1 1 -28 5  3  o 16.82183 4.489744  6.267938       8.979487 
1 1 1 -28 5  4  o 18.92605 4.566341  0.3085480      9.132683 
1 1 1 -28 5  5  o 22.42589 4.388669  0.6812763      8.777338 
1 1 1 -28 5  6  o 49.68401 5.972406  ?              ?        
1 1 1 -28 5  7  f 39.25703 3.818051  -0.9012489     7.636101 
1 1 1 -28 5  8  o 21.49574 4.570095  -13.12024      9.140190 
1 1 1 -28 5  9  f 46.40100 5.035284  -36.21772      10.07057 
1 1 1 -28 5  10 o 66.02784 2.564036  -16.30232      5.128072 
1 1 1 -28 5  11 o 56.35198 2.785875  -20.09132      5.571750 
1 1 1 -28 5  12 o 35.29134 3.943355  -17.14163      7.886709 
1 1 1 -28 5  13 o 46.44948 3.222873  -14.73414      6.445746 
1 1 1 -28 5  14 o 46.76307 3.214319  -14.04715      6.428638 
1 1 1 -28 5  15 o 41.75855 5.031090  -19.60949      10.06218 
1 1 1 -28 5  16 o 30.04068 4.234354  -17.67511      8.468708 
1 1 1 -28 5  17 o 56.12970 3.979580  -22.39867      7.959160 
1 1 1 -28 5  18 o 26.02699 3.976858  -21.86813      7.953715 
1 1 1 -28 5  19 o 17.02458 4.707111  -5.876397      9.414222 
1 1 1 -28 5  20 o 34.81885 4.025315  -30.17205      8.050631 
1 1 1 -28 5  21 o 20.06593 4.624602  -14.60161      9.249205 
1 1 1 -28 5  22 o 20.04663 5.139966  -11.51120      10.27993 
1 1 1 -28 5  23 o 17.20419 5.498290  -9.326479      10.99658 
1 1 1 -28 5  24 x ?        ?         ?              ?        
1 1 1 -28 5  25 x ?        ?         ?              ?        
1 1 1 -28 6  1  o 30.32980 4.470350  ?              ?        
1 1 1 -28 6  2  o 18.85742 4.477687  -2.159803      8.955374 
1 1 1 -28 6  3  o 16.05854 4.467062  1.079064       8.934125 
1 1 1 -28 6  4  o 15.42711 4.350500  -0.7436304     8.701000 
1 1 1 -28 6  5  o 18.67334 4.432036  -3.109802      8.864073 
1 1 1 -28 6  6  o 19.09135 4.691022  0.9480839      9.382044 
1 1 1 -28 6  7  o 38.11422 4.460548  -16.76417      8.921097 
1 1 1 -28 6  8  o 21.58420 3.908919  -16.03696      7.817837 
1 1 1 -28 6  9  o 14.30654 4.368375  6.307504       8.736751 
1 1 1 -28 6  10 o 24.80356 7.579691  ?              ?        
1 1 1 -28 6  11 o 18.20159 4.186951  -11.41154      8.373902 
1 1 1 -28 6  12 o 29.72008 4.053197  -21.11437      8.106395 
1 1 1 -28 6  13 o 22.44707 4.950111  0.6356544      9.900223 
1 1 1 -28 6  14 o 32.13987 4.443306  -26.14850      8.886613 
1 1 1 -28 6  15 o 17.72820 5.188661  -2.958813      10.37732 
1 1 1 -28 6  16 o 33.33065 4.491480  -15.18707      8.982961 
1 1 1 -28 6  17 o 12.92398 4.068969  -3.486081      8.137938 
1 1 1 -28 6  18 o 16.54594 4.367343  -9.570124      8.734686 
1 1 1 -28 6  19 o 18.72342 4.705207  7.455807       9.410414 
1 1 1 -28 6  20 o 17.29123 4.624629  5.079299       9.249258 
1 1 1 -28 6  21 o 14.27953 4.445002  -0.2841167     8.890004 
1 1 1 -28 6  22 o 12.87040 4.431823  -3.586113      8.863647 
1 1 1 -28 6  23 o 22.46303 7.445145  ?              ?        
1 1 1 -28 6  24 x ?        ?         ?              ?        
1 1 1 -28 6  25 x ?        ?         ?              ?        
1 1 1 -28 7  1  o 13.86398 3.982840  -7.156085      7.965680 
1 1 1 -28 7  2  o 13.14993 4.185431  1.212946       8.370863 
1 1 1 -28 7  3  o 27.53760 3.624600  -27.43586      7.249200 
1 1 1 -28 7  4  o 13.17144 3.999393  -2.699948      7.998786 
1 1 1 -28 7  5  o 26.34619 4.306967  -12.44183      8.613935 
1 1 1 -28 7  6  o 26.44562 4.850357  -15.37670      9.700714 
1 1 1 -28 7  7  o 44.25956 3.479707  -6.552185      6.959415 
1 1 1 -28 7  8  o 56.21156 4.495089  -24.43366      8.990178 
1 1 1 -28 7  9  f 37.20261 4.094431  -21.80441      8.188863 
1 1 1 -28 7  10 o 18.40127 4.757109  -5.847629      9.514217 
1 1 1 -28 7  11 o 25.42005 4.267120  -15.52683      8.534240 
1 1 1 -28 7  12 o 16.49156 4.696521  2.541762       9.393043 
1 1 1 -28 7  13 o 21.60712 4.419314  -14.79655      8.838628 
1 1 1 -28 7  14 o 15.07093 4.538782  -3.508714      9.077564 
1 1 1 -28 7  15 o 20.29805 5.072250  -1.855318      10.14450 
1 1 1 -28 7  16 o 15.28687 4.776318  -1.205039      9.552635 
1 1 1 -28 7  17 o 14.80105 4.422227  4.250609       8.844454 
1 1 1 -28 7  18 o 21.56549 4.525023  -16.17019      9.050045 
1 1 1 -28 7  19 o 19.43178 4.824440  7.748271       9.648879 
1 1 1 -28 7  20 o 23.49539 5.002104  -9.290689      10.00421 
1 1 1 -28 7  21 o 25.21960 5.022114  -15.03181      10.04423 
1 1 1 -28 7  22 o 20.74106 5.831370  -9.023466      11.66274 
1 1 1 -28 7  23 x ?        ?         ?              ?        
1 1 1 -28 7  24 x ?        ?         ?              ?        
1 1 1 -28 8  1  o 55.27531 3.156825  -21.53143      6.313650 
1 1 1 -28 8  2  o 31.67921 4.333349  -17.30568      8.666698 
1 1 1 -28 8  3  o 16.11359 4.568783  -0.7480087     9.137566 
1 1 1 -28 8  4  o 21.93137 4.934627  -0.1452618     9.869253 
1 1 1 -28 8  5  o 17.27444 4.078535  -11.84396      8.157070 
1 1 1 -28 8  6  o 17.59740 6.838937  ?              ?        
1 1 1 -28 8  7  o 25.95823 3.567287  -25.79061      7.134573 
1 1 1 -28 8  8  o 15.51375 4.500990  1.312556       9.001981 
1 1 1 -28 8  9  o 23.33356 4.490257  -10.17198      8.980514 
1 1 1 -28 8  10 o 15.08440 4.879748  0.9361858      9.759496 
1 1 1 -28 8  11 o 55.61025 2.861125  -27.38986      5.722250 
1 1 1 -28 8  12 o 27.01303 3.959860  -23.84344      7.919721 
1 1 1 -28 8  13 f 24.95283 3.978003  -23.60266      7.956007 
1 1 1 -28 8  14 o 41.49512 4.504932  -37.05134      9.009864 
1 1 1 -28 8  15 o 24.93519 4.777042  -24.09798      9.554084 
1 1 1 -28 8  16 o 18.94823 4.928236  -1.355099      9.856472 
1 1 1 -28 8  17 o 17.71636 4.446311  -12.92254      8.892623 
1 1 1 -28 8  18 o 17.68013 4.861053  -5.716563      9.722105 
1 1 1 -28 8  19 o 13.76086 4.337353  -6.024590      8.674706 
1 1 1 -28 8  20 o 14.78431 4.569878  -11.42304      9.139755 
1 1 1 -28 8  21 o 17.49755 5.529623  -6.868051      11.05925 
1 1 1 -28 8  22 o 15.19274 6.452763  ?              ?        
1 1 1 -28 8  23 x ?        ?         ?              ?        
1 1 1 -28 9  1  o 15.86557 4.482147  -5.102810      8.964293 
1 1 1 -28 9  2  o 12.05358 3.948404  1.327377       7.896809 
1 1 1 -28 9  3  o 18.48317 4.621471  -6.863673      9.242942 
1 1 1 -28 9  4  f 36.01628 3.919404  -17.34335      7.838808 
1 1 1 -28 9  5  o 16.84411 7.262572  ?              ?        
1 1 1 -28 9  6  f 13.46294 4.317334  4.245495       8.634667 
1 1 1 -28 9  7  o 20.27425 4.784174  -7.844061      9.568348 
1 1 1 -28 9  8  o 21.60305 4.204295  -12.83161      8.408590 
1 1 1 -28 9  9  o 52.37369 2.897877  -20.47650      5.795754 
1 1 1 -28 9  10 o 25.78938 4.278701  -24.17281      8.557403 
1 1 1 -28 9  11 o 11.85437 3.893178  1.345406       7.786355 
1 1 1 -28 9  12 o 15.71686 4.616813  -2.685864      9.233625 
1 1 1 -28 9  13 o 14.83608 4.678310  -3.302740      9.356621 
1 1 1 -28 9  14 o 43.46835 4.322268  -32.75301      8.644536 
1 1 1 -28 9  15 o 31.38890 4.265674  -30.90503      8.531348 
1 1 1 -28 9  16 o 21.43285 3.836322  -24.28558      7.672645 
1 1 1 -28 9  17 o 21.40043 4.942659  -3.365637      9.885319 
1 1 1 -28 9  18 o 18.74543 4.962133  -11.28761      9.924266 
1 1 1 -28 9  19 o 36.46557 4.239008  -34.00350      8.478017 
1 1 1 -28 9  20 o 13.77993 4.482814  -3.157489      8.965628 
1 1 1 -28 9  21 o 18.96929 5.772480  -7.845905      11.54496 
1 1 1 -28 9  22 x ?        ?         ?              ?        
1 1 1 -28 9  23 x ?        ?         ?              ?        
1 1 1 -28 10 1  o 25.94712 3.190496  -30.07777      6.380991 
1 1 1 -28 10 2  o 11.48361 3.710097  -2.436280      7.420194 
1 1 1 -28 10 3  o 11.14063 3.707287  3.645155       7.414574 
1 1 1 -28 10 4  o 11.94315 5.599093  ?              ?        
1 1 1 -28 10 5  o 23.22822 4.443143  -11.20042      8.886286 
1 1 1 -28 10 6  o 21.24915 6.116518  ?              ?        
1 1 1 -28 10 7  o 16.90969 4.411953  -6.014601      8.823906 
1 1 1 -28 10 8  o 23.92140 4.773800  -1.378138      9.547600 
1 1 1 -28 10 9  o 14.69689 3.577519  -13.77248      7.155038 
1 1 1 -28 10 10 o 43.70190 3.221738  -21.52750      6.443477 
1 1 1 -28 10 11 o 34.46154 4.472554  -23.26889      8.945108 
1 1 1 -28 10 12 o 17.36525 4.289758  -13.16141      8.579515 
1 1 1 -28 10 13 o 19.53687 5.164575  -11.41064      10.32915 
1 1 1 -28 10 14 o 14.65269 4.726109  -0.7723999     9.452218 
1 1 1 -28 10 15 o 16.75190 4.766877  -2.069956      9.533753 
1 1 1 -28 10 16 o 14.77756 4.501451  -3.624350      9.002902 
1 1 1 -28 10 17 o 15.31574 4.609468  -4.253839      9.218937 
1 1 1 -28 10 18 o 23.48724 5.175427  -1.325029      10.35085 
1 1 1 -28 10 19 o 16.96230 4.962575  3.212481       9.925150 
1 1 1 -28 10 20 o 14.20373 4.728885  -3.188794      9.457770 
1 1 1 -28 10 21 o 14.17870 6.234378  ?              ?        
1 1 1 -28 10 22 x ?        ?         ?              ?        
1 1 1 -28 11 1  o 17.24980 4.666022  -0.3992500     9.332044 
1 1 1 -28 11 2  o 28.94237 4.466871  -26.56765      8.933742 
1 1 1 -28 11 3  o 20.95512 5.196625  0.7887917      10.39325 
1 1 1 -28 11 4  o 16.80463 3.980647  -15.37475      7.961294 
1 1 1 -28 11 5  o 19.80466 6.669218  ?              ?        
1 1 1 -28 11 6  o 14.62810 4.429328  3.792109       8.858656 
1 1 1 -28 11 7  f 16.16833 4.473327  -6.729190      8.946653 
1 1 1 -28 11 8  o 22.50127 3.850009  -20.41883      7.700019 
1 1 1 -28 11 9  o 20.35517 4.710029  -8.091837      9.420057 
1 1 1 -28 11 10 o 18.15183 4.971228  2.490019       9.942455 
1 1 1 -28 11 11 o 10.89222 3.649427  0.5063648      7.298855 
1 1 1 -28 11 12 o 14.80013 6.066560  ?              ?        
1 1 1 -28 11 13 o 14.12287 4.262043  -2.579143      8.524086 
1 1 1 -28 11 14 o 13.08681 4.033103  -7.385075      8.066207 
1 1 1 -28 11 15 o 14.43126 4.417531  -0.9220181     8.835063 
1 1 1 -28 11 16 o 15.46607 4.589934  -6.929426      9.179868 
1 1 1 -28 11 17 o 20.20464 4.773051  -13.31244      9.546103 
1 1 1 -28 11 18 o 13.85859 4.120708  7.573618       8.241415 
1 1 1 -28 11 19 o 17.67658 5.403228  -4.309299      10.80646 
1 1 1 -28 11 20 o 10.79208 5.174193  ?              ?        
1 1 1 -28 11 21 x ?        ?         ?              ?        
1 1 1 -28 12 1  o 14.49427 4.520736  -7.410493      9.041472 
1 1 1 -28 12 2  o 17.87545 5.034220  -6.951590      10.06844 
1 1 1 -28 12 3  o 16.64630 4.409785  -10.50603      8.819570 
1 1 1 -28 12 4  o 14.06051 6.051443  ?              ?        
1 1 1 -28 12 5  o 23.66537 4.076979  -19.17458      8.153958 
1 1 1 -28 12 6  o 11.05739 3.676482  1.096387       7.352964 
1 1 1 -28 12 7  o 11.81615 3.874347  -4.358764      7.748694 
1 1 1 -28 12 8  o 12.70015 4.032292  -4.201030      8.064584 
1 1 1 -28 12 9  o 13.89281 4.297753  -5.411626      8.595506 
1 1 1 -28 12 10 o 17.15873 4.895191  0.8949432      9.790381 
1 1 1 -28 12 11 x ?        ?         ?              ?        
1 1 1 -28 12 12 o 28.74276 4.511698  -14.37230      9.023396 
1 1 1 -28 12 13 f 58.82542 3.000262  -33.60104      6.000523 
1 1 1 -28 12 14 o 39.36369 3.478802  -13.71704      6.957605 
1 1 1 -28 12 15 o 10.82558 3.644158  0.4698629      7.288317 
1 1 1 -28 12 16 o 14.97891 4.265692  -12.45522      8.531384 
1 1 1 -28 12 17 o 14.88576 4.572891  -4.330872      9.145782 
1 1 1 -28 12 18 o 19.28674 5.194453  -10.11777      10.38891 
1 1 1 -28 12 19 o 10.42846 5.008695  ?              ?        
1 1 1 -28 13 1  o 17.98756 5.047438  0.7267189E-01  10.09488 
1 1 1 -28 13 2  o 15.06026 4.420748  -3.912209      8.841496 
1 1 1 -28 13 3  o 20.61987 7.077776  ?              ?        
1 1 1 -28 13 4  o 15.94217 4.451109  -7.153892      8.902219 
1 1 1 -28 13 5  f 18.52250 4.840905  -4.142387      9.681810 
1 1 1 -28 13 6  o 22.15655 4.537845  -14.00615      9.075689 
1 1 1 -28 13 7  o 14.70268 4.390038  -7.458100      8.780077 
1 1 1 -28 13 8  o 19.57250 4.639822  -11.40515      9.279643 
1 1 1 -28 13 9  o 19.16316 4.457489  -14.75096      8.914977 
1 1 1 -28 13 10 o 18.14964 5.132104  -12.43411      10.26421 
1 1 1 -28 13 11 o 28.49882 8.096225  ?              ?        
1 1 1 -28 13 12 o 23.30648 5.199335  -7.992849      10.39867 
1 1 1 -28 13 13 o 17.05632 4.843719  4.268970       9.687439 
1 1 1 -28 13 14 o 14.97856 4.458889  -7.128775      8.917779 
1 1 1 -28 13 15 o 17.48808 4.860688  -9.170993      9.721375 
1 1 1 -28 13 16 o 17.51039 4.496756  -14.67728      8.993512 
1 1 1 -28 13 17 o 24.70100 4.610702  -18.11443      9.221404 
1 1 1 -28 13 18 o 14.34672 6.304821  ?              ?        
1 1 1 -28 14 1  o 16.53373 4.495813  4.898287       8.991626 
1 1 1 -28 14 2  o 15.39836 4.379557  0.7689857      8.759114 
1 1 1 -28 14 3  o 16.25260 3.954494  -12.60880      7.908988 
1 1 1 -28 14 4  o 24.09491 4.493704  -9.490599      8.987408 
1 1 1 -28 14 5  o 10.92960 3.612767  1.454609       7.225534 
1 1 1 -28 14 6  o 13.43883 4.171420  2.646954       8.342839 
1 1 1 -28 14 7  o 25.83420 4.062767  -22.08007      8.125534 
1 1 1 -28 14 8  o 14.76779 4.584671  3.206594       9.169341 
1 1 1 -28 14 9  o 12.71937 4.065658  0.4347305      8.131315 
1 1 1 -28 14 10 o 14.81604 4.360290  -5.928042      8.720579 
1 1 1 -28 14 11 o 21.91826 4.211004  -19.55934      8.422008 
1 1 1 -28 14 12 o 17.98462 4.948951  2.192669       9.897902 
1 1 1 -28 14 13 o 18.11676 4.879727  -2.110241      9.759455 
1 1 1 -28 14 14 o 33.36369 4.351804  -7.223734      8.703608 
1 1 1 -28 14 15 o 27.66066 4.618943  -18.52089      9.237886 
1 1 1 -28 15 4  o 25.59498 4.230903  -14.05595      8.461805 
1 1 1 -28 15 5  o 17.21708 4.572551  -4.075826      9.145103 
1 1 1 -28 15 6  f 15.21209 4.645587  -4.942184      9.291174 
1 1 1 -28 15 7  o 13.63731 4.429495  -1.735687      8.858990 
1 1 1 -28 15 8  o 36.85851 4.132487  -22.50856      8.264975 
1 1 1 -28 15 9  o 21.68247 7.006698  ?              ?        
1 1 1 -28 15 10 o 14.97550 4.327886  -7.180024      8.655771 
1 1 1 -28 15 11 o 15.21343 4.493289  -4.419365      8.986577 
1 1 1 -28 15 12 o 12.97946 4.119504  -0.7272644     8.239009 
1 1 1 -27 0  1  o 17.88738 9.578364  0.000000       0.000000 
1 1 1 -27 0  2  o 10.33321 6.714469  -0.000000      0.000000 
1 1 1 -27 0  3  o 25.87773 9.856200  -0.000000      0.000000 
1 1 1 -27 0  4  f 7.281626 5.219610  0.000000       0.000000 
1 1 1 -27 0  5  o 14.74006 7.972780  0.000000       0.000000 
1 1 1 -27 0  6  o 80.26700 3.333939  -0.000000      0.000000 
1 1 1 -27 0  7  o 39.95725 4.920623  -0.000000      0.000000 
1 1 1 -27 0  8  o 21.78444 8.703200  -0.000000      0.000000 
1 1 1 -27 0  9  o 15.41096 9.208877  -0.000000      0.000000 
1 1 1 -27 0  10 o 49.63232 4.304633  0.000000       0.000000 
1 1 1 -27 0  11 o 11.49870 7.634842  0.000000       0.000000 
1 1 1 -27 0  12 o 8.399826 5.838512  -0.000000      0.000000 
1 1 1 -27 0  13 o 70.26900 3.423870  0.000000       0.000000 
1 1 1 -27 0  14 o 16.48670 8.415415  0.000000       0.000000 
1 1 1 -27 0  15 o 44.91206 4.569129  0.000000       0.000000 
1 1 1 -27 0  16 o 13.12700 7.562576  0.000000       0.000000 
1 1 1 -27 0  17 o 55.61448 5.806793  -0.000000      0.000000 
1 1 1 -27 0  18 o 27.32288 7.285980  -0.000000      0.000000 
1 1 1 -27 0  19 o 15.96562 8.967435  -0.000000      0.000000 
1 1 1 -27 0  20 o 29.25929 6.473091  -0.000000      0.000000 
1 1 1 -27 0  21 o 13.02937 7.545386  -0.000000      0.000000 
1 1 1 -27 0  22 o 19.07947 8.611744  -0.000000      0.000000 
1 1 1 -27 0  23 o 7.966493 5.652824  -0.000000      0.000000 
1 1 1 -27 0  24 o 59.69959 6.223989  -0.000000      0.000000 
1 1 1 -27 0  25 o 39.46436 8.741217  -0.000000      0.000000 
1 1 1 -27 0  26 x ?        ?         ?              ?        
1 1 1 -27 0  27 x ?        ?         ?              ?        
1 1 1 -27 0  28 x ?        ?         ?              ?        
1 1 1 -27 1  1  o 35.26929 4.946195  12.29874       9.892390 
1 1 1 -27 1  2  o 21.18260 4.774966  1.468510       9.549932 
1 1 1 -27 1  3  o 28.35474 5.224133  -4.682234      10.44827 
1 1 1 -27 1  4  o 43.01753 3.116581  1.208954       6.233163 
1 1 1 -27 1  5  o 16.90365 4.616673  4.877949       9.233347 
1 1 1 -27 1  6  o 15.45109 4.512553  -3.342342      9.025106 
1 1 1 -27 1  7  o 31.73218 4.003158  4.586460       8.006316 
1 1 1 -27 1  8  o 22.55437 7.469743  ?              ?        
1 1 1 -27 1  9  f 48.59030 4.372077  13.40701       8.744154 
1 1 1 -27 1  10 o 38.39182 3.459520  8.697460       6.919040 
1 1 1 -27 1  11 o 37.54470 4.931047  -23.64381      9.862094 
1 1 1 -27 1  12 o 37.13816 3.656805  -9.699383      7.313611 
1 1 1 -27 1  13 o 82.22484 2.321591  4.760811       4.643182 
1 1 1 -27 1  14 o 93.84348 2.242124  1.343246       4.484248 
1 1 1 -27 1  15 o 19.24282 4.756607  -4.528114      9.513214 
1 1 1 -27 1  16 o 32.32181 3.948518  2.925163       7.897037 
1 1 1 -27 1  17 o 36.28735 5.400069  -14.28086      10.80014 
1 1 1 -27 1  18 o 23.85167 4.800201  -1.168674      9.600402 
1 1 1 -27 1  19 o 22.80112 5.392549  8.330772       10.78510 
1 1 1 -27 1  20 o 20.62520 4.530056  -8.121742      9.060112 
1 1 1 -27 1  21 o 26.16503 4.557895  -3.050730      9.115790 
1 1 1 -27 1  22 o 23.92267 4.833853  -2.281952      9.667706 
1 1 1 -27 1  23 o 27.65101 4.720312  -1.648315      9.440624 
1 1 1 -27 1  24 o 19.51028 5.745247  -1.063086      11.49049 
1 1 1 -27 1  25 o 32.55139 6.128600  3.358112       12.25720 
1 1 1 -27 1  26 x ?        ?         ?              ?        
1 1 1 -27 1  27 x ?        ?         ?              ?        
1 1 1 -27 2  1  o 24.04596 5.324986  -2.805006      10.64997 
1 1 1 -27 2  2  o 42.87781 3.941879  13.65778       7.883758 
1 1 1 -27 2  3  o 31.05156 5.159370  -2.459974      10.31874 
1 1 1 -27 2  4  o 29.12533 4.305181  4.439604       8.610361 
1 1 1 -27 2  5  f 17.59654 4.374150  15.05452       8.748300 
1 1 1 -27 2  6  o 18.56078 4.558980  -5.528128      9.117960 
1 1 1 -27 2  7  o 24.87494 5.510750  6.691322       11.02150 
1 1 1 -27 2  8  f 61.79659 2.624651  -7.589676      5.249302 
1 1 1 -27 2  9  o 27.69323 5.225846  3.873154       10.45169 
1 1 1 -27 2  10 o 49.19547 3.062797  -9.244297      6.125593 
1 1 1 -27 2  11 o 22.61245 5.537168  5.944849       11.07434 
1 1 1 -27 2  12 o 12.04555 3.918094  -0.5747452     7.836189 
1 1 1 -27 2  13 o 29.84126 4.063401  13.24765       8.126802 
1 1 1 -27 2  14 o 65.21899 2.531742  -9.578484      5.063484 
1 1 1 -27 2  15 o 52.56207 2.890395  1.748798       5.780789 
1 1 1 -27 2  16 o 36.01548 3.908304  -13.13117      7.816609 
1 1 1 -27 2  17 o 17.98783 5.468422  0.5256481      10.93684 
1 1 1 -27 2  18 f 48.92677 3.088371  -10.39143      6.176743 
1 1 1 -27 2  19 o 44.84815 3.944602  -7.505348      7.889204 
1 1 1 -27 2  20 o 21.29436 4.527869  -10.23495      9.055737 
1 1 1 -27 2  21 o 15.14693 4.323448  8.268733       8.646896 
1 1 1 -27 2  22 o 16.11470 4.601249  -1.744064      9.202497 
1 1 1 -27 2  23 o 16.82132 6.677997  ?              ?        
1 1 1 -27 2  24 o 19.72304 5.483704  4.472454       10.96741 
1 1 1 -27 2  25 o 17.66978 5.394442  -8.658630      10.78888 
1 1 1 -27 2  26 x ?        ?         ?              ?        
1 1 1 -27 2  27 x ?        ?         ?              ?        
1 1 1 -27 3  1  o 30.08509 4.576162  -8.270845      9.152325 
1 1 1 -27 3  2  o 22.83907 4.783944  13.08492       9.567888 
1 1 1 -27 3  3  o 17.45519 4.250498  -8.036077      8.500996 
1 1 1 -27 3  4  o 17.44678 4.585174  13.23396       9.170347 
1 1 1 -27 3  5  o 13.34421 4.145536  0.7372856      8.291072 
1 1 1 -27 3  6  o 14.93898 4.372791  0.9003353      8.745583 
1 1 1 -27 3  7  o 35.31295 5.328463  2.602028       10.65693 
1 1 1 -27 3  8  o 26.56621 4.847931  -11.45792      9.695863 
1 1 1 -27 3  9  o 46.90450 3.529466  -1.529388      7.058931 
1 1 1 -27 3  10 o 24.56467 4.938511  10.61978       9.877023 
1 1 1 -27 3  11 o 43.44254 4.091108  2.199337       8.182217 
1 1 1 -27 3  12 o 17.60647 4.282359  -7.722839      8.564717 
1 1 1 -27 3  13 o 35.98134 3.834121  -11.70008      7.668242 
1 1 1 -27 3  14 o 31.63058 3.866371  -4.492214      7.732742 
1 1 1 -27 3  15 o 42.12881 3.606167  -17.79771      7.212333 
1 1 1 -27 3  16 o 16.06665 4.570092  -0.5020075     9.140183 
1 1 1 -27 3  17 o 17.25784 5.049234  -6.129892      10.09847 
1 1 1 -27 3  18 f 16.76772 4.376796  12.37105       8.753592 
1 1 1 -27 3  19 o 25.26628 4.518987  9.121908       9.037973 
1 1 1 -27 3  20 o 24.18158 4.530997  -3.372387      9.061994 
1 1 1 -27 3  21 f 19.40847 4.122918  -14.07271      8.245835 
1 1 1 -27 3  22 o 11.40518 3.766866  0.5755825      7.533731 
1 1 1 -27 3  23 o 30.99296 4.281945  -14.84503      8.563890 
1 1 1 -27 3  24 o 15.83237 5.005531  4.913409       10.01106 
1 1 1 -27 3  25 o 23.40705 8.096923  ?              ?        
1 1 1 -27 3  26 x ?        ?         ?              ?        
1 1 1 -27 3  27 x ?        ?         ?              ?        
1 1 1 -27 4  1  o 49.01757 3.150847  -9.155537      6.301695 
1 1 1 -27 4  2  o 29.17101 4.346331  -21.41855      8.692661 
1 1 1 -27 4  3  o 68.09171 2.449574  -7.411888      4.899148 
1 1 1 -27 4  4  o 35.49367 3.965247  -9.725164      7.930493 
1 1 1 -27 4  5  o 33.30026 4.119516  -10.29720      8.239033 
1 1 1 -27 4  6  o 26.25969 4.586310  0.4977818      9.172620 
1 1 1 -27 4  7  o 17.10557 5.087271  -0.4816647     10.17454 
1 1 1 -27 4  8  o 61.02903 3.370567  11.66780       6.741133 
1 1 1 -27 4  9  o 49.25844 2.988752  -5.769634      5.977505 
1 1 1 -27 4  10 o 59.69281 3.110930  -7.946838      6.221861 
1 1 1 -27 4  11 o 14.82311 4.387186  7.918252       8.774371 
1 1 1 -27 4  12 o 21.17784 4.808031  1.984371       9.616062 
1 1 1 -27 4  13 o 21.01584 4.832500  0.4788780      9.665001 
1 1 1 -27 4  14 o 44.46029 3.224854  -7.084000      6.449708 
1 1 1 -27 4  15 o 26.24514 4.343378  -9.562456      8.686755 
1 1 1 -27 4  16 o 21.62510 5.412953  5.515795       10.82591 
1 1 1 -27 4  17 o 26.23650 5.384079  -7.319605      10.76816 
1 1 1 -27 4  18 o 17.05456 5.120646  7.624352       10.24129 
1 1 1 -27 4  19 o 29.44451 4.281199  3.231577       8.562399 
1 1 1 -27 4  20 o 21.39676 4.743742  10.56977       9.487485 
1 1 1 -27 4  21 o 43.16335 3.383340  -12.40259      6.766680 
1 1 1 -27 4  22 o 22.37597 4.688502  -9.780279      9.377004 
1 1 1 -27 4  23 o 13.10011 4.120618  -4.539920      8.241237 
1 1 1 -27 4  24 o 21.22913 5.885002  1.164911       11.77000 
1 1 1 -27 4  25 o 16.54223 7.020416  ?              ?        
1 1 1 -27 4  26 x ?        ?         ?              ?        
1 1 1 -27 4  27 x ?        ?         ?              ?        
1 1 1 -27 5  1  o 31.43993 3.894933  -1.171482      7.789865 
1 1 1 -27 5  2  o 43.78730 4.833652  -12.43581      9.667305 
1 1 1 -27 5  3  o 13.98710 4.187098  1.303331       8.374195 
1 1 1 -27 5  4  o 60.45841 2.565479  -14.31095      5.130959 
1 1 1 -27 5  5  o 41.68542 3.367974  -8.862453      6.735949 
1 1 1 -27 5  6  o 48.22579 3.237933  -15.77052      6.475866 
1 1 1 -27 5  7  o 26.43787 5.216456  -9.633793      10.43291 
1 1 1 -27 5  8  o 44.51653 5.485518  -2.761028      10.97104 
1 1 1 -27 5  9  o 21.29869 5.231298  -2.192217      10.46260 
1 1 1 -27 5  10 o 30.08189 4.819209  -18.73660      9.638418 
1 1 1 -27 5  11 o 22.39017 4.809664  6.426689       9.619328 
1 1 1 -27 5  12 o 24.37837 4.298675  -11.21331      8.597350 
1 1 1 -27 5  13 o 13.01674 4.205210  5.255040       8.410420 
1 1 1 -27 5  14 o 21.57200 4.657633  -6.647898      9.315267 
1 1 1 -27 5  15 o 25.68073 4.678935  -3.317804      9.357869 
1 1 1 -27 5  16 o 35.90902 4.923189  -16.61145      9.846377 
1 1 1 -27 5  17 o 26.98214 4.571748  -4.568258      9.143497 
1 1 1 -27 5  18 o 22.52292 5.665631  9.609457       11.33126 
1 1 1 -27 5  19 o 12.76446 5.663022  ?              ?        
1 1 1 -27 5  20 o 20.73469 4.682007  -6.837780      9.364015 
1 1 1 -27 5  21 o 19.65606 4.829020  3.193472       9.658040 
1 1 1 -27 5  22 o 25.33084 4.513246  -16.48382      9.026492 
1 1 1 -27 5  23 o 21.70481 4.679792  -16.67297      9.359585 
1 1 1 -27 5  24 o 14.05993 4.814377  -5.690503      9.628754 
1 1 1 -27 5  25 x ?        ?         ?              ?        
1 1 1 -27 5  26 x ?        ?         ?              ?        
1 1 1 -27 5  27 x ?        ?         ?              ?        
1 1 1 -27 6  1  o 18.86412 4.032185  -10.84123      8.064369 
1 1 1 -27 6  2  o 29.94247 4.091688  -19.46227      8.183375 
1 1 1 -27 6  3  o 53.01981 2.929216  -21.09902      5.858433 
1 1 1 -27 6  4  o 22.93724 4.699657  4.274370       9.399314 
1 1 1 -27 6  5  o 56.44070 3.012587  -29.62771      6.025175 
1 1 1 -27 6  6  o 19.05590 4.742336  6.289238       9.484673 
1 1 1 -27 6  7  o 29.87390 5.152195  -5.333136      10.30439 
1 1 1 -27 6  8  o 15.98516 4.850286  -5.001539      9.700572 
1 1 1 -27 6  9  o 21.05351 5.202538  1.251209       10.40508 
1 1 1 -27 6  10 o 33.97511 4.394422  -13.46894      8.788843 
1 1 1 -27 6  11 o 49.00819 3.032111  -3.712418      6.064223 
1 1 1 -27 6  12 o 50.69058 3.040361  -5.694767      6.080722 
1 1 1 -27 6  13 o 14.53596 4.316404  -1.779976      8.632808 
1 1 1 -27 6  14 o 18.73660 4.783309  0.8036251      9.566617 
1 1 1 -27 6  15 o 20.21608 5.451168  8.810291       10.90234 
1 1 1 -27 6  16 o 21.98191 5.261811  -15.49579      10.52362 
1 1 1 -27 6  17 o 12.51629 4.104568  0.7371101      8.209137 
1 1 1 -27 6  18 o 21.67269 4.447765  -12.62774      8.895530 
1 1 1 -27 6  19 o 23.86512 4.629508  -3.281492      9.259016 
1 1 1 -27 6  20 o 18.44177 4.661970  -2.626877      9.323939 
1 1 1 -27 6  21 o 15.93299 4.597941  3.103782       9.195882 
1 1 1 -27 6  22 o 21.21342 5.097091  -4.834610      10.19418 
1 1 1 -27 6  23 o 24.85388 5.854833  -8.673363      11.70967 
1 1 1 -27 6  24 o 12.80365 4.381201  -1.969166      8.762402 
1 1 1 -27 6  25 x ?        ?         ?              ?        
1 1 1 -27 6  26 x ?        ?         ?              ?        
1 1 1 -27 7  1  o 37.46382 3.191173  ?              ?        
1 1 1 -27 7  2  o 19.40646 4.135191  -9.324246      8.270383 
1 1 1 -27 7  3  o 39.27843 3.503653  -12.48949      7.007307 
1 1 1 -27 7  4  o 40.01908 3.785375  -19.27920      7.570750 
1 1 1 -27 7  5  o 48.04020 2.898472  ?              ?        
1 1 1 -27 7  6  o 29.15950 4.645975  -8.123104      9.291949 
1 1 1 -27 7  7  o 32.02512 9.277361  ?              ?        
1 1 1 -27 7  8  o 19.70624 5.235054  -3.382378      10.47011 
1 1 1 -27 7  9  o 21.50439 4.519116  -10.87410      9.038233 
1 1 1 -27 7  10 o 23.38699 4.352638  -11.38643      8.705276 
1 1 1 -27 7  11 o 60.29216 2.824582  -20.64050      5.649164 
1 1 1 -27 7  12 o 22.00346 4.683677  -6.518560      9.367353 
1 1 1 -27 7  13 o 41.97314 3.249536  0.7987099      6.499072 
1 1 1 -27 7  14 o 65.35693 2.668321  -19.67928      5.336641 
1 1 1 -27 7  15 o 18.67986 4.925729  -5.263885      9.851458 
1 1 1 -27 7  16 o 17.87270 4.830733  -1.980333      9.661466 
1 1 1 -27 7  17 o 22.16695 5.491362  -11.31197      10.98272 
1 1 1 -27 7  18 o 16.75578 4.642152  -7.220022      9.284304 
1 1 1 -27 7  19 o 33.46424 3.984860  -30.85664      7.969719 
1 1 1 -27 7  20 o 20.00185 4.815340  -10.65141      9.630680 
1 1 1 -27 7  21 o 20.38346 5.063547  4.377842       10.12709 
1 1 1 -27 7  22 o 25.37427 4.756401  -15.71777      9.512802 
1 1 1 -27 7  23 o 19.94849 5.668969  -14.62218      11.33794 
1 1 1 -27 7  24 x ?        ?         ?              ?        
1 1 1 -27 7  25 x ?        ?         ?              ?        
1 1 1 -27 7  26 x ?        ?         ?              ?        
1 1 1 -27 8  1  o 18.07255 4.788045  9.596279       9.576090 
1 1 1 -27 8  2  o 24.14127 4.683733  -5.119652      9.367467 
1 1 1 -27 8  3  o 29.04169 4.631806  -3.292454      9.263613 
1 1 1 -27 8  4  o 34.97640 4.486023  -19.14961      8.972046 
1 1 1 -27 8  5  o 24.78962 4.996613  2.258141       9.993226 
1 1 1 -27 8  6  o 23.39154 4.746040  5.039234       9.492080 
1 1 1 -27 8  7  o 27.25195 8.733335  ?              ?        
1 1 1 -27 8  8  o 60.82711 2.960206  -25.61479      5.920411 
1 1 1 -27 8  9  o 23.50552 4.082997  -15.17807      8.165995 
1 1 1 -27 8  10 o 27.48079 4.576274  5.062838       9.152548 
1 1 1 -27 8  11 o 19.26300 4.444208  -8.905190      8.888416 
1 1 1 -27 8  12 o 18.79145 4.809857  8.299665       9.619715 
1 1 1 -27 8  13 o 17.34834 4.689038  -1.755507      9.378077 
1 1 1 -27 8  14 o 16.08693 4.772691  -0.4850979     9.545382 
1 1 1 -27 8  15 f 38.36653 4.581477  -21.44274      9.162954 
1 1 1 -27 8  16 o 40.51802 4.378696  -35.13250      8.757392 
1 1 1 -27 8  17 o 23.79412 4.788486  -12.04906      9.576972 
1 1 1 -27 8  18 o 16.64464 4.607370  4.832484       9.214740 
1 1 1 -27 8  19 o 14.99484 4.266717  -12.70670      8.533435 
1 1 1 -27 8  20 o 22.37360 4.968061  -8.497559      9.936123 
1 1 1 -27 8  21 o 26.38782 4.208472  -22.46550      8.416945 
1 1 1 -27 8  22 o 25.42076 5.940065  -20.66923      11.88013 
1 1 1 -27 8  23 o 10.64408 5.075521  ?              ?        
1 1 1 -27 8  24 x ?        ?         ?              ?        
1 1 1 -27 8  25 x ?        ?         ?              ?        
1 1 1 -27 9  1  o 19.83397 4.613881  -4.851324      9.227761 
1 1 1 -27 9  2  o 24.46290 4.003942  -14.81721      8.007885 
1 1 1 -27 9  3  o 31.71500 4.288790  -11.40115      8.577579 
1 1 1 -27 9  4  f 23.62966 4.156680  -12.07767      8.313359 
1 1 1 -27 9  5  o 17.61331 4.864854  7.026199       9.729708 
1 1 1 -27 9  6  o 12.03672 5.847601  ?              ?        
1 1 1 -27 9  7  o 15.89717 5.014966  2.999851       10.02993 
1 1 1 -27 9  8  o 40.45640 5.244229  -10.67048      10.48846 
1 1 1 -27 9  9  f 15.05749 4.351702  -3.862443      8.703404 
1 1 1 -27 9  10 o 36.44256 3.572105  2.333233       7.144211 
1 1 1 -27 9  11 o 45.67625 3.859272  -28.33317      7.718544 
1 1 1 -27 9  12 o 30.78265 4.388633  -13.21881      8.777267 
1 1 1 -27 9  13 o 18.01227 4.579010  -6.944839      9.158021 
1 1 1 -27 9  14 o 17.80415 5.002835  -2.735703      10.00567 
1 1 1 -27 9  15 o 27.91943 4.861779  -15.30517      9.723558 
1 1 1 -27 9  16 o 27.43024 4.578471  -17.46589      9.156942 
1 1 1 -27 9  17 o 28.24560 4.350324  -3.574068      8.700647 
1 1 1 -27 9  18 o 31.79712 4.252438  -12.47622      8.504876 
1 1 1 -27 9  19 o 15.19387 4.581947  -2.341179      9.163894 
1 1 1 -27 9  20 o 17.27071 4.912116  1.312065       9.824231 
1 1 1 -27 9  21 o 20.88207 5.351345  -7.267115      10.70269 
1 1 1 -27 9  22 o 21.55813 5.645003  -20.78676      11.29001 
1 1 1 -27 9  23 x ?        ?         ?              ?        
1 1 1 -27 9  24 x ?        ?         ?              ?        
1 1 1 -27 10 1  o 17.94306 3.948982  -11.24674      7.897963 
1 1 1 -27 10 2  o 19.87627 4.509122  -5.907124      9.018244 
1 1 1 -27 10 3  f 25.42015 4.555129  -3.033407      9.110257 
1 1 1 -27 10 4  o 28.16143 4.278042  -13.76550      8.556085 
1 1 1 -27 10 5  o 42.20235 5.723278  ?              ?        
1 1 1 -27 10 6  o 16.65645 4.693748  4.568325       9.387496 
1 1 1 -27 10 7  o 24.76426 7.612037  ?              ?        
1 1 1 -27 10 8  o 13.44660 4.160284  -3.087846      8.320567 
1 1 1 -27 10 9  o 28.37164 4.268437  -23.98153      8.536874 
1 1 1 -27 10 10 o 14.02796 4.298250  1.783931       8.596499 
1 1 1 -27 10 11 o 22.45352 4.305247  -10.44238      8.610495 
1 1 1 -27 10 12 o 15.42029 4.681588  2.812600       9.363175 
1 1 1 -27 10 13 o 10.91738 3.687183  2.374818       7.374366 
1 1 1 -27 10 14 o 37.56936 4.434212  -31.53420      8.868424 
1 1 1 -27 10 15 o 30.26764 5.069689  -8.968008      10.13938 
1 1 1 -27 10 16 o 22.02507 4.251330  17.38793       8.502661 
1 1 1 -27 10 17 o 17.30005 4.760664  2.067373       9.521327 
1 1 1 -27 10 18 o 17.30951 4.694081  -6.977491      9.388163 
1 1 1 -27 10 19 o 31.24549 4.301028  -19.27380      8.602056 
1 1 1 -27 10 20 o 31.69453 4.535237  -2.880754      9.070475 
1 1 1 -27 10 21 o 19.11002 5.442784  -12.87375      10.88557 
1 1 1 -27 10 22 o 12.60805 5.808014  ?              ?        
1 1 1 -27 10 23 x ?        ?         ?              ?        
1 1 1 -27 10 24 x ?        ?         ?              ?        
1 1 1 -27 11 1  o 12.97838 3.979289  -1.228829      7.958577 
1 1 1 -27 11 2  o 16.62103 4.471741  -3.712651      8.943482 
1 1 1 -27 11 3  o 19.50360 4.847736  4.184202       9.695472 
1 1 1 -27 11 4  o 13.23089 4.264111  6.047891       8.528221 
1 1 1 -27 11 5  o 19.31947 4.976949  0.5134544      9.953897 
1 1 1 -27 11 6  o 66.51240 3.064566  ?              ?        
1 1 1 -27 11 7  o 14.48950 4.565112  1.254439       9.130223 
1 1 1 -27 11 8  o 19.15776 4.343940  -9.670824      8.687881 
1 1 1 -27 11 9  o 21.52678 7.340765  ?              ?        
1 1 1 -27 11 10 o 23.99083 4.943882  -5.124702      9.887763 
1 1 1 -27 11 11 o 17.22678 4.617930  -4.441401      9.235860 
1 1 1 -27 11 12 o 44.23102 3.047864  -4.700451      6.095728 
1 1 1 -27 11 13 o 15.73197 6.419777  ?              ?        
1 1 1 -27 11 14 o 28.73338 3.706606  -28.25550      7.413212 
1 1 1 -27 11 15 o 18.00813 4.460182  -9.003216      8.920363 
1 1 1 -27 11 16 o 15.68949 4.504635  -7.092159      9.009271 
1 1 1 -27 11 17 o 22.86237 4.135488  -21.68754      8.270976 
1 1 1 -27 11 18 o 18.20476 7.285762  ?              ?        
1 1 1 -27 11 19 o 19.94082 4.995526  -4.037010      9.991052 
1 1 1 -27 11 20 o 26.74367 4.778389  -30.64927      9.556779 
1 1 1 -27 11 21 o 13.23285 6.028089  ?              ?        
1 1 1 -27 11 22 x ?        ?         ?              ?        
1 1 1 -27 11 23 x ?        ?         ?              ?        
1 1 1 -27 12 1  o 19.72274 4.611803  1.998817       9.223606 
1 1 1 -27 12 2  o 20.09142 5.070549  2.718542       10.14110 
1 1 1 -27 12 3  o 23.04585 5.157256  4.084219       10.31451 
1 1 1 -27 12 4  o 12.95644 4.118491  3.098826       8.236981 
1 1 1 -27 12 5  o 25.71266 6.061362  ?              ?        
1 1 1 -27 12 6  o 14.65268 4.246007  -5.512307      8.492014 
1 1 1 -27 12 7  o 27.42419 5.342186  -13.33636      10.68437 
1 1 1 -27 12 8  o 17.15519 4.713703  -0.2023067     9.427406 
1 1 1 -27 12 9  o 38.56477 4.046636  -6.561367      8.093271 
1 1 1 -27 12 10 o 27.50929 4.999524  -0.7818432     9.999047 
1 1 1 -27 12 11 o 19.25543 5.074292  2.277334       10.14858 
1 1 1 -27 12 12 o 15.72390 6.797252  ?              ?        
1 1 1 -27 12 13 f 22.32786 4.702876  -6.158714      9.405751 
1 1 1 -27 12 14 o 14.73455 4.367377  4.814796       8.734755 
1 1 1 -27 12 15 o 14.61931 4.170531  -8.197886      8.341063 
1 1 1 -27 12 16 o 18.07128 4.754064  1.007477       9.508128 
1 1 1 -27 12 17 o 19.97807 4.819757  -5.400749      9.639513 
1 1 1 -27 12 18 o 33.64857 4.214570  -18.18950      8.429140 
1 1 1 -27 12 19 o 14.77667 4.372744  -9.031788      8.745488 
1 1 1 -27 12 20 o 20.82098 7.505483  ?              ?        
1 1 1 -27 12 21 x ?        ?         ?              ?        
1 1 1 -27 12 22 x ?        ?         ?              ?        
1 1 1 -27 13 1  o 21.08062 4.584967  -6.229712      9.169934 
1 1 1 -27 13 2  o 19.29891 5.156480  -5.531420      10.31296 
1 1 1 -27 13 3  o 32.75438 3.882754  -9.054522      7.765508 
1 1 1 -27 13 4  o 33.20969 5.297993  ?              ?        
1 1 1 -27 13 5  o 16.20516 4.571978  -0.9531670     9.143955 
1 1 1 -27 13 6  o 20.80616 4.257346  -13.56611      8.514691 
1 1 1 -27 13 7  f 27.95887 4.893286  -21.23144      9.786572 
1 1 1 -27 13 8  o 16.07799 4.439419  -6.631772      8.878838 
1 1 1 -27 13 9  o 25.93903 4.638018  -7.208338      9.276036 
1 1 1 -27 13 10 o 31.85267 4.050118  -31.12552      8.100236 
1 1 1 -27 13 11 o 28.20310 8.113842  ?              ?        
1 1 1 -27 13 12 o 33.23176 4.496103  -25.76099      8.992207 
1 1 1 -27 13 13 o 52.16715 4.355874  -31.63624      8.711747 
1 1 1 -27 13 14 o 35.27810 4.495896  -8.220522      8.991792 
1 1 1 -27 13 15 o 27.25608 4.370531  -17.43695      8.741061 
1 1 1 -27 13 16 o 19.15418 4.881839  0.1623535      9.763678 
1 1 1 -27 13 17 o 21.27989 4.845555  -12.00073      9.691111 
1 1 1 -27 13 18 o 24.07161 4.339126  -22.24789      8.678251 
1 1 1 -27 13 19 o 10.38321 4.998437  ?              ?        
1 1 1 -27 13 20 x ?        ?         ?              ?        
1 1 1 -27 14 1  o 33.03548 3.961530  -20.16292      7.923060 
1 1 1 -27 14 2  o 19.13336 4.258050  -13.67047      8.516100 
1 1 1 -27 14 3  o 14.91154 4.404429  0.3024025      8.808859 
1 1 1 -27 14 4  o 22.93098 4.669608  6.459309       9.339215 
1 1 1 -27 14 5  o 13.69682 4.211933  0.7651005      8.423866 
1 1 1 -27 14 6  o 11.34232 3.744133  -0.6191330     7.488266 
1 1 1 -27 14 7  o 22.98533 4.418149  -14.38915      8.836298 
1 1 1 -27 14 8  o 11.35376 3.754124  -4.566370      7.508248 
1 1 1 -27 14 9  o 19.76890 5.297096  0.4812813      10.59419 
1 1 1 -27 14 10 o 18.20885 4.896139  -2.794533      9.792277 
1 1 1 -27 14 11 o 12.39056 4.044157  -1.259845      8.088314 
1 1 1 -27 14 12 o 16.22803 4.684161  -0.8249073     9.368322 
1 1 1 -27 14 13 o 16.21048 4.602670  -0.4420881     9.205340 
1 1 1 -27 14 14 o 15.79920 4.673796  -1.757521      9.347592 
1 1 1 -27 14 15 o 19.22623 5.014016  -4.798828      10.02803 
1 1 1 -27 14 16 o 25.88459 4.232877  -22.64855      8.465754 
1 1 1 -27 14 17 o 12.10069 4.026080  -5.632378      8.052160 
1 1 1 -27 14 18 f 16.54765 6.750422  ?              ?        
1 1 1 -27 14 19 x ?        ?         ?              ?        
1 1 1 -27 15 1  o 18.31621 6.315072  ?              ?        
1 1 1 -27 15 2  o 22.37242 4.370558  -7.113312      8.741117 
1 1 1 -27 15 3  o 16.70371 4.496313  -2.263921      8.992626 
1 1 1 -27 15 4  o 19.93083 4.392243  -10.89031      8.784487 
1 1 1 -27 15 5  f 19.28953 4.620739  -9.137376      9.241477 
1 1 1 -27 15 6  o 19.65537 4.465387  11.67902       8.930775 
1 1 1 -27 15 7  o 14.43729 4.351139  1.123796       8.702277 
1 1 1 -27 15 8  o 11.71056 5.430274  ?              ?        
1 1 1 -27 15 9  o 24.24277 4.742157  -10.99365      9.484315 
1 1 1 -27 15 10 o 18.17060 7.669212  ?              ?        
1 1 1 -27 15 11 o 13.30630 4.251394  0.3180733      8.502788 
1 1 1 -27 15 12 o 28.71917 4.847075  -6.204016      9.694149 
1 1 1 -27 15 13 o 29.71343 4.480639  -17.74061      8.961277 
1 1 1 -27 15 14 o 25.97457 4.458477  -17.43388      8.916953 
1 1 1 -27 15 15 o 30.99094 4.440489  -19.31689      8.880979 
1 1 1 -27 15 16 o 13.45079 4.196548  -3.600328      8.393097 
1 1 1 -27 15 17 o 16.33172 6.808660  ?              ?        
1 1 1 -27 16 2  o 19.02298 4.713014  2.939766       9.426027 
1 1 1 -27 16 3  o 15.33607 4.326196  2.719483       8.652391 
1 1 1 -27 16 4  o 17.94453 4.396762  -7.387872      8.793525 
1 1 1 -27 16 5  o 19.17704 4.605922  -3.400501      9.211844 
1 1 1 -27 16 6  o 15.67395 4.258802  10.00642       8.517605 
1 1 1 -27 16 7  o 16.18093 4.911632  -10.43148      9.823263 
1 1 1 -27 16 8  o 13.93159 4.174131  4.536122       8.348262 
1 1 1 -27 16 9  o 11.81258 5.325275  ?              ?        
1 1 1 -27 16 10 o 15.86654 4.527355  -1.774849      9.054710 
1 1 1 -27 16 11 o 14.42316 4.354426  -1.662363      8.708852 
1 1 1 -27 16 12 o 16.70786 4.646317  -1.644144      9.292633 
1 1 1 -27 16 13 o 14.18060 4.358013  -3.376713      8.716026 
1 1 1 -27 16 14 o 9.938372 3.428001  1.355638       6.856003 
1 1 1 -26 0  1  o 64.74789 3.600741  -0.000000      0.000000 
1 1 1 -26 0  2  o 12.81762 8.313458  -0.000000      0.000000 
1 1 1 -26 0  3  o 48.87685 4.158861  -0.000000      0.000000 
1 1 1 -26 0  4  o 77.64224 3.421920  -0.000000      0.000000 
1 1 1 -26 0  5  o 8.729781 5.985695  -0.000000      0.000000 
1 1 1 -26 0  6  o 56.79824 4.128572  -0.000000      0.000000 
1 1 1 -26 0  7  o 35.72653 5.767747  0.000000       0.000000 
1 1 1 -26 0  8  o 21.46319 8.542375  -0.000000      0.000000 
1 1 1 -26 0  9  o 14.86242 8.277985  0.000000       0.000000 
1 1 1 -26 0  10 o 23.32815 10.20751  -0.000000      0.000000 
1 1 1 -26 0  11 o 13.90020 7.883203  0.000000       0.000000 
1 1 1 -26 0  12 o 13.86574 8.574114  -0.000000      0.000000 
1 1 1 -26 0  13 o 9.808453 6.501609  -0.000000      0.000000 
1 1 1 -26 0  14 o 14.69168 8.178714  0.000000       0.000000 
1 1 1 -26 0  15 o 12.04178 7.340558  0.000000       0.000000 
1 1 1 -26 0  16 o 25.45454 7.947180  0.000000       0.000000 
1 1 1 -26 0  17 o 23.80326 8.285268  0.000000       0.000000 
1 1 1 -26 0  18 o 47.63271 7.251350  0.000000       0.000000 
1 1 1 -26 0  19 o 9.139800 6.186047  0.000000       0.000000 
1 1 1 -26 0  20 o 25.66427 9.003057  -0.000000      0.000000 
1 1 1 -26 0  21 o 6.717920 4.845607  0.000000       0.000000 
1 1 1 -26 0  22 o 10.85839 6.866320  -0.000000      0.000000 
1 1 1 -26 0  23 o 14.24357 7.865934  -0.000000      0.000000 
1 1 1 -26 0  24 x ?        ?         ?              ?        
1 1 1 -26 0  25 o 9.749671 6.895739  0.000000       0.000000 
1 1 1 -26 0  26 o 17.77141 9.904116  -0.000000      0.000000 
1 1 1 -26 0  27 x ?        ?         ?              ?        
1 1 1 -26 0  28 x ?        ?         ?              ?        
1 1 1 -26 0  29 x ?        ?         ?              ?        
1 1 1 -26 1  1  o 21.69021 4.790600  -7.080599      9.581200 
1 1 1 -26 1  2  o 26.03615 5.188987  6.897549       10.37797 
1 1 1 -26 1  3  o 73.18895 2.390485  -1.974617      4.780971 
1 1 1 -26 1  4  o 61.43300 3.277987  2.538189       6.555974 
1 1 1 -26 1  5  o 17.00006 4.662596  -5.001796      9.325191 
1 1 1 -26 1  6  o 26.78706 5.886809  -9.685160      11.77362 
1 1 1 -26 1  7  o 47.18594 3.073570  2.801891       6.147141 
1 1 1 -26 1  8  o 58.47533 2.650374  4.197598       5.300749 
1 1 1 -26 1  9  o 16.74514 4.724196  1.367418       9.448393 
1 1 1 -26 1  10 o 41.89496 5.056520  -7.402233      10.11304 
1 1 1 -26 1  11 o 35.65014 3.585692  0.4709969      7.171384 
1 1 1 -26 1  12 o 68.77098 3.333689  -5.309090      6.667378 
1 1 1 -26 1  13 o 27.64641 4.468023  9.650389       8.936046 
1 1 1 -26 1  14 o 50.51443 3.017682  -12.10646      6.035364 
1 1 1 -26 1  15 o 19.37425 4.744689  -3.167130      9.489379 
1 1 1 -26 1  16 o 15.92627 4.589337  3.316340       9.178675 
1 1 1 -26 1  17 o 39.95779 3.392483  -5.564926      6.784966 
1 1 1 -26 1  18 o 46.26245 4.812463  4.679184       9.624926 
1 1 1 -26 1  19 o 37.94547 3.397937  -3.531204      6.795873 
1 1 1 -26 1  20 o 21.43223 4.876712  -11.17275      9.753424 
1 1 1 -26 1  21 o 26.94660 4.007525  -17.61094      8.015051 
1 1 1 -26 1  22 o 24.81887 4.559057  -3.323130      9.118114 
1 1 1 -26 1  23 o 20.34322 4.820735  3.006741       9.641469 
1 1 1 -26 1  24 x ?        ?         ?              ?        
1 1 1 -26 1  25 o 39.81938 3.625847  -8.611568      7.251694 
1 1 1 -26 1  26 o 19.21134 5.502791  -4.896393      11.00558 
1 1 1 -26 1  27 x ?        ?         ?              ?        
1 1 1 -26 1  28 x ?        ?         ?              ?        
1 1 1 -26 1  29 x ?        ?         ?              ?        
1 1 1 -26 2  1  o 62.03556 3.138807  -6.677483      6.277614 
1 1 1 -26 2  2  o 37.54128 4.328146  -7.408901      8.656291 
1 1 1 -26 2  3  o 34.48539 4.540143  -12.82330      9.080285 
1 1 1 -26 2  4  o 37.26992 3.796476  -4.153641      7.592951 
1 1 1 -26 2  5  o 48.92475 3.184000  -12.45653      6.367999 
1 1 1 -26 2  6  o 49.03107 4.315382  3.990170       8.630765 
1 1 1 -26 2  7  o 42.29892 3.302489  -2.980946      6.604978 
1 1 1 -26 2  8  o 25.25760 4.798327  0.1271725      9.596654 
1 1 1 -26 2  9  o 52.69469 2.887624  7.500042       5.775249 
1 1 1 -26 2  10 o 47.46693 5.032959  -12.92151      10.06592 
1 1 1 -26 2  11 o 141.5086 2.269032  -14.13754      4.538065 
1 1 1 -26 2  12 o 20.34861 5.582847  6.411186       11.16569 
1 1 1 -26 2  13 o 102.3442 2.242472  -6.075974      4.484944 
1 1 1 -26 2  14 o 73.44603 2.425950  -6.635521      4.851899 
1 1 1 -26 2  15 o 70.99104 2.528239  -7.465736      5.056479 
1 1 1 -26 2  16 o 13.88307 4.287180  -1.379863      8.574361 
1 1 1 -26 2  17 o 42.63702 3.253409  3.997711       6.506819 
1 1 1 -26 2  18 o 34.90462 5.827535  13.63350       11.65507 
1 1 1 -26 2  19 o 44.97061 2.940525  4.853767       5.881049 
1 1 1 -26 2  20 o 19.55743 4.756190  -10.65687      9.512380 
1 1 1 -26 2  21 o 24.03090 4.665174  4.100443       9.330349 
1 1 1 -26 2  22 o 33.32572 3.998329  -8.721897      7.996658 
1 1 1 -26 2  23 o 26.56550 4.665718  6.993038       9.331435 
1 1 1 -26 2  24 o 16.31316 4.721527  0.3125153      9.443053 
1 1 1 -26 2  25 o 22.72343 5.495800  14.44639       10.99160 
1 1 1 -26 2  26 o 25.15697 5.820157  10.37998       11.64031 
1 1 1 -26 2  27 x ?        ?         ?              ?        
1 1 1 -26 2  28 x ?        ?         ?              ?        
1 1 1 -26 2  29 x ?        ?         ?              ?        
1 1 1 -26 3  1  o 17.61042 4.980290  9.014414       9.960581 
1 1 1 -26 3  2  o 52.13526 3.258306  -5.816120      6.516613 
1 1 1 -26 3  3  o 33.58241 4.406156  -5.111504      8.812312 
1 1 1 -26 3  4  o 22.32977 7.672046  ?              ?        
1 1 1 -26 3  5  o 62.11501 2.668934  -9.512959      5.337869 
1 1 1 -26 3  6  o 35.01340 4.721179  26.61706       9.442358 
1 1 1 -26 3  7  o 44.62941 3.288225  -1.333839      6.576451 
1 1 1 -26 3  8  o 62.35635 2.618964  -2.226482      5.237928 
1 1 1 -26 3  9  o 23.60481 9.003230  ?              ?        
1 1 1 -26 3  10 o 75.65771 2.866008  -1.766823      5.732016 
1 1 1 -26 3  11 o 42.39256 3.589042  8.690300       7.178084 
1 1 1 -26 3  12 o 94.23795 2.928179  -6.359825      5.856358 
1 1 1 -26 3  13 o 43.52868 3.228110  -4.348381      6.456220 
1 1 1 -26 3  14 o 52.02666 2.874248  3.331440       5.748495 
1 1 1 -26 3  15 f 26.42439 4.640843  2.320778       9.281687 
1 1 1 -26 3  16 o 20.30023 4.795977  7.008133       9.591953 
1 1 1 -26 3  17 o 62.39281 2.588654  7.648529       5.177308 
1 1 1 -26 3  18 o 60.02017 3.978017  -0.8473091     7.956033 
1 1 1 -26 3  19 o 69.05337 2.500350  -8.346451      5.000700 
1 1 1 -26 3  20 o 67.06770 2.586407  -10.83841      5.172814 
1 1 1 -26 3  21 o 19.80103 4.726767  -0.4996624     9.453534 
1 1 1 -26 3  22 o 28.02718 4.351047  -7.424711      8.702093 
1 1 1 -26 3  23 o 12.92654 4.107272  3.522607       8.214543 
1 1 1 -26 3  24 o 18.51947 4.813626  4.991352       9.627253 
1 1 1 -26 3  25 o 18.67322 5.373119  -12.48999      10.74624 
1 1 1 -26 3  26 f 26.66099 6.023806  -14.73660      12.04761 
1 1 1 -26 3  27 x ?        ?         ?              ?        
1 1 1 -26 3  28 x ?        ?         ?              ?        
1 1 1 -26 4  1  f 63.12895 2.498659  3.615646       4.997317 
1 1 1 -26 4  2  f 35.96141 4.256859  -9.143837      8.513718 
1 1 1 -26 4  3  o 42.99783 4.743456  1.489933       9.486913 
1 1 1 -26 4  4  o 56.66405 2.775544  -3.076290      5.551089 
1 1 1 -26 4  5  o 43.79275 3.329274  -3.324394      6.658548 
1 1 1 -26 4  6  o 21.17499 4.720040  -4.520258      9.440080 
1 1 1 -26 4  7  o 44.56240 3.313634  -2.086815      6.627268 
1 1 1 -26 4  8  o 34.74685 4.271334  -12.95481      8.542667 
1 1 1 -26 4  9  o 77.52067 3.193227  -10.08929      6.386454 
1 1 1 -26 4  10 o 29.90840 5.035058  -0.3974552     10.07012 
1 1 1 -26 4  11 o 34.05448 4.493740  5.344431       8.987479 
1 1 1 -26 4  12 o 38.04439 3.520603  1.847378       7.041206 
1 1 1 -26 4  13 o 55.86202 2.956568  -17.44011      5.913136 
1 1 1 -26 4  14 o 68.26527 2.608947  -17.54602      5.217893 
1 1 1 -26 4  15 o 21.25119 4.295076  -11.66489      8.590153 
1 1 1 -26 4  16 o 12.85721 4.092849  -1.340065      8.185698 
1 1 1 -26 4  17 o 16.48739 4.256092  -8.428370      8.512184 
1 1 1 -26 4  18 o 32.09425 5.197845  -5.197269      10.39569 
1 1 1 -26 4  19 o 16.41750 4.865450  1.324046       9.730901 
1 1 1 -26 4  20 o 24.31001 4.575463  -9.578138      9.150927 
1 1 1 -26 4  21 o 33.51652 3.919522  -5.064264      7.839043 
1 1 1 -26 4  22 o 16.88921 4.400439  -8.654769      8.800878 
1 1 1 -26 4  23 o 24.32561 4.459626  -13.96070      8.919252 
1 1 1 -26 4  24 o 20.84591 4.995639  -2.006956      9.991278 
1 1 1 -26 4  25 o 13.31683 4.465330  0.9704123      8.930659 
1 1 1 -26 4  26 o 20.98937 7.538982  ?              ?        
1 1 1 -26 4  27 x ?        ?         ?              ?        
1 1 1 -26 4  28 x ?        ?         ?              ?        
1 1 1 -26 5  1  o 45.55074 3.551672  -7.653046      7.103344 
1 1 1 -26 5  2  f 31.82331 4.250731  -17.90437      8.501463 
1 1 1 -26 5  3  f 54.84899 4.159566  -7.821518      8.319132 
1 1 1 -26 5  4  o 13.61221 4.298723  7.314448       8.597446 
1 1 1 -26 5  5  o 23.96531 4.857612  3.267464       9.715223 
1 1 1 -26 5  6  o 22.79492 4.276689  -9.932026      8.553377 
1 1 1 -26 5  7  o 23.48017 4.804102  13.79934       9.608205 
1 1 1 -26 5  8  o 40.31277 4.502682  -19.38598      9.005364 
1 1 1 -26 5  9  o 30.87172 4.585701  -23.01836      9.171402 
1 1 1 -26 5  10 o 65.91499 2.568223  -1.585655      5.136447 
1 1 1 -26 5  11 o 17.95740 5.398388  14.87681       10.79678 
1 1 1 -26 5  12 o 33.15273 4.202686  -23.28803      8.405372 
1 1 1 -26 5  13 o 24.44573 4.251401  -12.35891      8.502802 
1 1 1 -26 5  14 o 23.52387 4.163136  -13.54423      8.326271 
1 1 1 -26 5  15 o 40.67870 3.452146  1.181873       6.904293 
1 1 1 -26 5  16 o 22.27052 4.986715  2.610531       9.973431 
1 1 1 -26 5  17 o 18.72734 5.331856  10.19489       10.66371 
1 1 1 -26 5  18 o 23.66588 4.746840  11.53739       9.493679 
1 1 1 -26 5  19 o 33.95807 5.052626  -18.60026      10.10525 
1 1 1 -26 5  20 o 33.66583 3.969945  -14.71266      7.939891 
1 1 1 -26 5  21 o 27.34998 4.201666  -17.29189      8.403332 
1 1 1 -26 5  22 o 24.99199 3.824969  -22.91699      7.649938 
1 1 1 -26 5  23 o 23.33988 4.297314  -15.36519      8.594627 
1 1 1 -26 5  24 o 14.77146 4.551533  -4.476456      9.103066 
1 1 1 -26 5  25 o 20.87647 5.424381  10.15917       10.84876 
1 1 1 -26 5  26 x ?        ?         ?              ?        
1 1 1 -26 5  27 x ?        ?         ?              ?        
1 1 1 -26 5  28 x ?        ?         ?              ?        
1 1 1 -26 6  1  o 22.64524 5.339699  2.741478       10.67940 
1 1 1 -26 6  2  o 24.25472 4.267563  -11.78201      8.535126 
1 1 1 -26 6  3  o 14.37365 4.177648  -1.774261      8.355296 
1 1 1 -26 6  4  o 42.19973 3.587330  -11.75873      7.174659 
1 1 1 -26 6  5  o 16.24278 4.463181  -0.6929970E-01 8.926362 
1 1 1 -26 6  6  o 28.18876 4.511544  -6.526846      9.023088 
1 1 1 -26 6  7  o 36.11961 4.310188  -14.17335      8.620377 
1 1 1 -26 6  8  o 21.29436 5.430566  5.927132       10.86113 
1 1 1 -26 6  9  o 17.40090 4.816352  -6.955856      9.632705 
1 1 1 -26 6  10 o 57.26113 3.399618  -12.74466      6.799235 
1 1 1 -26 6  11 f 20.83330 5.736617  16.17875       11.47323 
1 1 1 -26 6  12 o 29.58092 4.680312  10.38508       9.360623 
1 1 1 -26 6  13 o 39.56440 4.233476  -15.93875      8.466951 
1 1 1 -26 6  14 o 28.14676 4.692538  3.158216       9.385076 
1 1 1 -26 6  15 o 21.80170 5.034547  -1.572569      10.06909 
1 1 1 -26 6  16 o 33.94641 4.385339  -19.36610      8.770679 
1 1 1 -26 6  17 o 24.73816 5.082940  -16.04205      10.16588 
1 1 1 -26 6  18 o 29.40072 5.193812  -7.681337      10.38762 
1 1 1 -26 6  19 o 42.41328 4.648544  -10.75002      9.297089 
1 1 1 -26 6  20 o 33.96792 4.236093  -22.05223      8.472185 
1 1 1 -26 6  21 o 30.05218 4.152250  -6.456234      8.304501 
1 1 1 -26 6  22 o 24.00395 6.473936  ?              ?        
1 1 1 -26 6  23 o 24.39290 4.823193  -9.638628      9.646386 
1 1 1 -26 6  24 o 21.19451 5.677158  -9.849623      11.35432 
1 1 1 -26 6  25 o 19.61267 5.650199  -14.74915      11.30040 
1 1 1 -26 6  26 x ?        ?         ?              ?        
1 1 1 -26 6  27 x ?        ?         ?              ?        
1 1 1 -26 6  28 x ?        ?         ?              ?        
1 1 1 -26 7  1  o 31.66404 4.599007  -12.67451      9.198014 
1 1 1 -26 7  2  o 53.38782 2.513890  ?              ?        
1 1 1 -26 7  3  o 30.17911 4.207761  -19.72986      8.415523 
1 1 1 -26 7  4  o 19.53315 4.643857  19.55618       9.287715 
1 1 1 -26 7  5  o 30.38555 4.306641  -6.130817      8.613282 
1 1 1 -26 7  6  o 19.94539 5.039333  9.745812       10.07867 
1 1 1 -26 7  7  o 14.98222 4.846011  8.144413       9.692021 
1 1 1 -26 7  8  o 18.32710 4.919848  -3.796867      9.839697 
1 1 1 -26 7  9  o 27.69897 4.798329  -13.35803      9.596658 
1 1 1 -26 7  10 o 24.32077 4.453706  -14.97689      8.907413 
1 1 1 -26 7  11 o 70.04578 2.625687  -2.716927      5.251374 
1 1 1 -26 7  12 o 86.92869 2.514721  -18.84106      5.029442 
1 1 1 -26 7  13 o 26.44046 4.573521  -10.72660      9.147042 
1 1 1 -26 7  14 o 11.64626 3.938044  4.708675       7.876089 
1 1 1 -26 7  15 o 24.02780 5.136123  5.586874       10.27225 
1 1 1 -26 7  16 o 29.12092 4.887904  -11.98089      9.775808 
1 1 1 -26 7  17 o 12.36026 4.033802  -2.981086      8.067603 
1 1 1 -26 7  18 o 22.46671 5.389354  -12.77370      10.77871 
1 1 1 -26 7  19 o 31.56143 4.394194  -15.96090      8.788387 
1 1 1 -26 7  20 o 15.18519 4.641899  1.465362       9.283797 
1 1 1 -26 7  21 o 38.24435 3.946420  -10.07095      7.892841 
1 1 1 -26 7  22 o 22.96650 4.826503  -12.71408      9.653007 
1 1 1 -26 7  23 o 42.07381 4.073574  -36.43111      8.147148 
1 1 1 -26 7  24 o 28.30843 5.827223  -10.96122      11.65445 
1 1 1 -26 7  25 o 22.91957 7.742569  ?              ?        
1 1 1 -26 7  26 x ?        ?         ?              ?        
1 1 1 -26 7  27 x ?        ?         ?              ?        
1 1 1 -26 8  1  o 25.57534 4.147591  ?              ?        
1 1 1 -26 8  2  o 17.31522 4.349478  -4.442292      8.698956 
1 1 1 -26 8  3  o 18.73563 4.872315  12.99950       9.744631 
1 1 1 -26 8  4  o 26.83131 4.674716  -8.297428      9.349433 
1 1 1 -26 8  5  o 27.86576 4.433586  -9.439144      8.867172 
1 1 1 -26 8  6  o 21.01279 5.152361  5.153431       10.30472 
1 1 1 -26 8  7  o 33.91024 5.268598  -22.22389      10.53720 
1 1 1 -26 8  8  o 14.84578 6.754120  ?              ?        
1 1 1 -26 8  9  o 27.50729 4.625621  2.819708       9.251242 
1 1 1 -26 8  10 o 40.29695 4.060568  -16.14528      8.121136 
1 1 1 -26 8  11 o 63.25454 2.603125  ?              ?        
1 1 1 -26 8  12 o 19.30825 4.848757  5.244364       9.697514 
1 1 1 -26 8  13 o 54.51207 3.218688  -17.14992      6.437377 
1 1 1 -26 8  14 o 32.92806 4.329892  1.677128       8.659783 
1 1 1 -26 8  15 o 35.38860 5.164482  -3.194347      10.32896 
1 1 1 -26 8  16 o 38.91924 4.213492  -11.94747      8.426984 
1 1 1 -26 8  17 o 26.74970 5.627141  -0.4757500E-01 11.25428 
1 1 1 -26 8  18 o 30.60816 5.387155  -8.700476      10.77431 
1 1 1 -26 8  19 o 32.48614 4.211695  -11.28455      8.423390 
1 1 1 -26 8  20 f 26.88117 4.663352  -12.19845      9.326704 
1 1 1 -26 8  21 f 16.59760 4.731883  -0.9041710     9.463765 
1 1 1 -26 8  22 o 21.36260 4.667007  -13.34561      9.334015 
1 1 1 -26 8  23 o 21.71768 5.669521  -16.67007      11.33904 
1 1 1 -26 8  24 o 19.08289 5.561153  -17.46530      11.12231 
1 1 1 -26 8  25 x ?        ?         ?              ?        
1 1 1 -26 8  26 x ?        ?         ?              ?        
1 1 1 -26 8  27 x ?        ?         ?              ?        
1 1 1 -26 9  1  o 29.93053 4.674423  0.6247673      9.348845 
1 1 1 -26 9  2  o 37.53998 4.604034  -8.019196      9.208068 
1 1 1 -26 9  3  o 31.01431 4.751293  -2.992872      9.502586 
1 1 1 -26 9  4  o 31.48002 4.611588  -8.045277      9.223175 
1 1 1 -26 9  5  o 16.89844 4.857481  3.887749       9.714961 
1 1 1 -26 9  6  o 23.35598 4.844444  -6.152245      9.688889 
1 1 1 -26 9  7  o 13.39860 6.606670  ?              ?        
1 1 1 -26 9  8  o 36.26493 4.376130  -14.05004      8.752259 
1 1 1 -26 9  9  o 28.29667 5.365074  -6.928921      10.73015 
1 1 1 -26 9  10 o 43.96886 3.175583  -4.122585      6.351166 
1 1 1 -26 9  11 o 17.46898 4.707934  6.358508       9.415868 
1 1 1 -26 9  12 o 35.81323 4.111696  -6.443233      8.223392 
1 1 1 -26 9  13 o 22.94581 5.054945  10.78547       10.10989 
1 1 1 -26 9  14 o 18.58708 4.884032  -1.234812      9.768064 
1 1 1 -26 9  15 o 32.75550 4.516487  -22.65446      9.032973 
1 1 1 -26 9  16 o 45.28429 4.526906  -28.50718      9.053811 
1 1 1 -26 9  17 o 26.78356 5.131742  -10.96396      10.26348 
1 1 1 -26 9  18 o 13.99251 4.295969  0.1178417      8.591937 
1 1 1 -26 9  19 o 17.27170 4.134451  -9.877903      8.268903 
1 1 1 -26 9  20 o 24.38426 4.621755  -7.481104      9.243510 
1 1 1 -26 9  21 o 26.57184 4.834180  -9.380398      9.668361 
1 1 1 -26 9  22 o 19.90653 4.952198  -8.096601      9.904395 
1 1 1 -26 9  23 f 18.28328 5.663698  -6.297157      11.32740 
1 1 1 -26 9  24 x ?        ?         ?              ?        
1 1 1 -26 9  25 x ?        ?         ?              ?        
1 1 1 -26 9  26 x ?        ?         ?              ?        
1 1 1 -26 10 1  o 16.09563 4.652379  1.780126       9.304757 
1 1 1 -26 10 2  o 15.51217 4.637849  4.340023       9.275698 
1 1 1 -26 10 3  o 20.96750 5.124009  7.488947       10.24802 
1 1 1 -26 10 4  o 20.08199 4.817310  -0.8872986E-01 9.634621 
1 1 1 -26 10 5  o 29.35596 4.807207  -3.429777      9.614414 
1 1 1 -26 10 6  o 19.98376 8.052554  ?              ?        
1 1 1 -26 10 7  o 56.73251 3.517129  7.340942       7.034258 
1 1 1 -26 10 8  o 53.79631 3.033895  ?              ?        
1 1 1 -26 10 9  o 30.81043 4.362538  -16.30819      8.725076 
1 1 1 -26 10 10 o 24.04244 4.160528  -13.47760      8.321056 
1 1 1 -26 10 11 o 12.91855 4.144089  5.284389       8.288178 
1 1 1 -26 10 12 o 27.40010 4.350468  -13.64011      8.700935 
1 1 1 -26 10 13 o 23.79700 4.779191  -2.554171      9.558382 
1 1 1 -26 10 14 o 28.80465 4.452239  -1.479788      8.904478 
1 1 1 -26 10 15 o 31.98010 4.823339  -11.45078      9.646677 
1 1 1 -26 10 16 o 17.93617 4.527170  -9.971786      9.054339 
1 1 1 -26 10 17 o 16.66644 4.710089  2.049891       9.420178 
1 1 1 -26 10 18 o 20.00499 4.505648  -8.563702      9.011295 
1 1 1 -26 10 19 o 17.84391 4.425343  11.42576       8.850685 
1 1 1 -26 10 20 o 21.32085 4.967042  1.633095       9.934084 
1 1 1 -26 10 21 f 21.54642 4.878487  -6.976671      9.756973 
1 1 1 -26 10 22 o 35.33433 5.242893  -20.68142      10.48579 
1 1 1 -26 10 23 o 17.90599 7.014599  ?              ?        
1 1 1 -26 10 24 x ?        ?         ?              ?        
1 1 1 -26 10 25 x ?        ?         ?              ?        
1 1 1 -26 11 1  o 24.26737 4.261071  -11.85964      8.522141 
1 1 1 -26 11 2  o 16.58355 4.756638  6.306382       9.513275 
1 1 1 -26 11 3  f 50.62020 3.490460  0.6357002      6.980920 
1 1 1 -26 11 4  o 26.41344 4.966269  -2.204329      9.932538 
1 1 1 -26 11 5  o 21.57215 8.284891  ?              ?        
1 1 1 -26 11 6  o 33.25138 4.464856  -7.651712      8.929711 
1 1 1 -26 11 7  o 43.61681 3.499368  ?              ?        
1 1 1 -26 11 8  o 15.70273 4.639443  0.3656578      9.278886 
1 1 1 -26 11 9  o 35.96405 4.618453  -12.51783      9.236905 
1 1 1 -26 11 10 o 17.03071 7.320430  ?              ?        
1 1 1 -26 11 11 o 29.67159 4.281086  -8.104357      8.562173 
1 1 1 -26 11 12 o 57.53996 2.959612  -21.06308      5.919224 
1 1 1 -26 11 13 o 18.51380 4.619453  -2.696398      9.238907 
1 1 1 -26 11 14 o 32.64372 4.632529  -13.94217      9.265058 
1 1 1 -26 11 15 o 19.99130 4.170822  -14.58459      8.341644 
1 1 1 -26 11 16 o 11.18236 3.756896  4.404013       7.513792 
1 1 1 -26 11 17 o 12.03337 3.833750  -3.934133      7.667501 
1 1 1 -26 11 18 o 12.87233 4.027990  -4.022595      8.055981 
1 1 1 -26 11 19 o 17.77149 4.679166  -11.42641      9.358333 
1 1 1 -26 11 20 o 25.78696 4.198522  -23.48590      8.397044 
1 1 1 -26 11 21 o 18.86862 5.447351  -11.75095      10.89470 
1 1 1 -26 11 22 o 16.41061 4.751967  7.826586       9.503935 
1 1 1 -26 11 23 x ?        ?         ?              ?        
1 1 1 -26 11 24 x ?        ?         ?              ?        
1 1 1 -26 12 1  o 18.78245 4.223845  15.95235       8.447691 
1 1 1 -26 12 2  o 20.71589 4.234755  -11.33216      8.469509 
1 1 1 -26 12 3  o 22.31056 4.889353  -10.26617      9.778706 
1 1 1 -26 12 4  o 17.99319 5.289279  0.2932014      10.57856 
1 1 1 -26 12 5  o 28.24443 4.748670  2.986191       9.497339 
1 1 1 -26 12 6  o 45.83904 3.593026  ?              ?        
1 1 1 -26 12 7  o 42.95081 4.287933  -14.70222      8.575867 
1 1 1 -26 12 8  o 28.83736 4.747266  -6.326345      9.494532 
1 1 1 -26 12 9  o 19.87307 4.692271  -6.995703      9.384542 
1 1 1 -26 12 10 o 22.97488 4.187619  -15.33169      8.375238 
1 1 1 -26 12 11 o 16.30486 4.761589  8.588697       9.523177 
1 1 1 -26 12 12 o 15.28154 4.590713  7.789515       9.181426 
1 1 1 -26 12 13 o 13.56279 6.156525  ?              ?        
1 1 1 -26 12 14 o 23.35086 4.392710  -15.94082      8.785420 
1 1 1 -26 12 15 o 15.45486 4.579392  -0.6808681     9.158784 
1 1 1 -26 12 16 o 19.61788 4.570280  -10.28199      9.140560 
1 1 1 -26 12 17 o 20.79953 4.661751  -6.693296      9.323502 
1 1 1 -26 12 18 f 35.51016 3.821241  -14.04223      7.642481 
1 1 1 -26 12 19 o 13.47347 4.178640  0.5251770      8.357281 
1 1 1 -26 12 20 o 16.47341 4.769486  -2.514882      9.538973 
1 1 1 -26 12 21 o 16.71453 5.199985  -7.191130      10.39997 
1 1 1 -26 12 22 x ?        ?         ?              ?        
1 1 1 -26 12 23 x ?        ?         ?              ?        
1 1 1 -26 13 1  f 24.78126 5.291130  3.486050       10.58226 
1 1 1 -26 13 2  o 33.91685 4.145770  -17.22065      8.291539 
1 1 1 -26 13 3  o 44.60903 4.160694  -20.23199      8.321388 
1 1 1 -26 13 4  o 29.24063 4.146655  -21.87158      8.293310 
1 1 1 -26 13 5  o 17.47407 6.267638  ?              ?        
1 1 1 -26 13 6  o 33.52680 4.350025  -18.33414      8.700050 
1 1 1 -26 13 7  o 20.15823 5.109827  1.359240       10.21965 
1 1 1 -26 13 8  o 21.02737 7.536887  ?              ?        
1 1 1 -26 13 9  f 11.79885 3.909835  0.8973541      7.819669 
1 1 1 -26 13 10 o 17.25719 4.579534  13.91559       9.159068 
1 1 1 -26 13 11 o 32.51230 4.575087  -15.63147      9.150173 
1 1 1 -26 13 12 o 15.13874 6.724947  ?              ?        
1 1 1 -26 13 13 o 14.03435 4.312207  0.4324026      8.624414 
1 1 1 -26 13 14 o 26.95559 5.155777  -3.344460      10.31155 
1 1 1 -26 13 15 o 28.18394 4.259150  -23.64381      8.518300 
1 1 1 -26 13 16 o 19.16119 4.708731  8.848675       9.417462 
1 1 1 -26 13 17 o 18.69793 4.849954  -3.958488      9.699908 
1 1 1 -26 13 18 o 14.72544 4.440829  -0.4565144     8.881658 
1 1 1 -26 13 19 o 16.09206 4.592594  4.502735       9.185187 
1 1 1 -26 13 20 o 14.45651 4.738184  -6.840630      9.476369 
1 1 1 -26 13 21 x ?        ?         ?              ?        
1 1 1 -26 13 22 x ?        ?         ?              ?        
1 1 1 -26 14 1  o 21.42685 5.412912  -5.622606      10.82582 
1 1 1 -26 14 2  f 12.16206 3.941059  1.143565       7.882117 
1 1 1 -26 14 3  o 28.20554 5.687586  ?              ?        
1 1 1 -26 14 4  o 21.01057 4.257257  -14.54931      8.514515 
1 1 1 -26 14 5  o 26.62379 4.397874  -11.36093      8.795749 
1 1 1 -26 14 6  o 14.19596 4.257127  6.255728       8.514254 
1 1 1 -26 14 7  o 14.18789 4.261244  -2.521482      8.522489 
1 1 1 -26 14 8  o 17.17192 4.687957  -2.990357      9.375914 
1 1 1 -26 14 9  o 33.59037 4.282067  -13.63838      8.564135 
1 1 1 -26 14 10 o 22.94890 4.899174  -3.759274      9.798348 
1 1 1 -26 14 11 o 24.45137 5.735630  -3.906958      11.47126 
1 1 1 -26 14 12 o 49.46226 3.854973  -19.25922      7.709946 
1 1 1 -26 14 13 o 30.28030 4.917655  -12.52923      9.835309 
1 1 1 -26 14 14 o 14.92856 4.315903  -9.029797      8.631805 
1 1 1 -26 14 15 o 14.20861 4.377413  7.081151       8.754827 
1 1 1 -26 14 16 f 18.09282 4.687285  -6.291250      9.374570 
1 1 1 -26 14 17 o 11.03288 5.181455  ?              ?        
1 1 1 -26 14 18 o 18.16014 4.924251  -8.362703      9.848502 
1 1 1 -26 14 19 f 24.58111 5.541257  -19.31982      11.08251 
1 1 1 -26 14 20 x ?        ?         ?              ?        
1 1 1 -26 14 21 x ?        ?         ?              ?        
1 1 1 -26 15 1  o 24.17833 4.413932  2.816643       8.827865 
1 1 1 -26 15 2  o 29.39203 5.254851  ?              ?        
1 1 1 -26 15 3  o 12.63195 4.017169  1.380898       8.034338 
1 1 1 -26 15 4  o 12.38374 3.873589  -4.658870      7.747178 
1 1 1 -26 15 5  o 27.71063 4.598464  -1.549816      9.196929 
1 1 1 -26 15 6  o 16.71516 4.367865  -4.978046      8.735729 
1 1 1 -26 15 7  o 24.72259 4.513882  -7.308533      9.027763 
1 1 1 -26 15 8  o 20.40088 4.858441  2.018940       9.716883 
1 1 1 -26 15 9  o 15.34490 6.336058  ?              ?        
1 1 1 -26 15 10 o 19.30829 4.669709  -3.222401      9.339417 
1 1 1 -26 15 11 o 28.68742 6.335352  ?              ?        
1 1 1 -26 15 12 o 14.49591 4.382541  0.2138605      8.765082 
1 1 1 -26 15 13 o 21.65405 4.799383  -11.05070      9.598766 
1 1 1 -26 15 14 o 13.90805 4.347424  2.058463       8.694847 
1 1 1 -26 15 15 o 19.79628 4.835546  -7.582747      9.671093 
1 1 1 -26 15 16 o 26.29444 4.814696  -10.09983      9.629393 
1 1 1 -26 15 17 o 15.17915 4.125679  -12.24787      8.251359 
1 1 1 -26 15 18 o 13.83091 6.208284  ?              ?        
1 1 1 -26 15 19 x ?        ?         ?              ?        
1 1 1 -26 16 1  o 10.46686 3.501839  -1.809725      7.003679 
1 1 1 -26 16 2  o 14.76194 4.353622  2.355868       8.707244 
1 1 1 -26 16 3  o 15.26916 4.351801  0.9307280      8.703603 
1 1 1 -26 16 4  o 27.64660 3.707891  -27.69838      7.415783 
1 1 1 -26 16 5  o 13.60821 4.132341  -2.805369      8.264682 
1 1 1 -26 16 6  o 16.50537 4.690865  -3.991100      9.381730 
1 1 1 -26 16 7  o 38.53227 4.002672  -5.750977      8.005343 
1 1 1 -26 16 8  o 30.67967 5.320804  -8.776424      10.64161 
1 1 1 -26 16 9  o 11.98158 3.868537  -0.7367983     7.737074 
1 1 1 -26 16 10 o 21.99580 6.450595  ?              ?        
1 1 1 -26 16 11 o 18.34124 4.638553  -7.138013      9.277105 
1 1 1 -26 16 12 o 24.92747 4.586153  -12.08238      9.172305 
1 1 1 -26 16 13 o 15.22844 4.566916  4.949780       9.133833 
1 1 1 -26 16 14 o 25.31203 3.963634  -24.03164      7.927268 
1 1 1 -26 16 15 o 28.48237 7.345540  ?              ?        
1 1 1 -26 16 16 o 16.65061 4.564938  -6.558825      9.129876 
1 1 1 -26 16 17 o 9.946948 4.898740  ?              ?        
1 1 1 -26 17 1  o 14.93640 4.295742  3.536635       8.591483 
1 1 1 -26 17 2  o 13.99794 3.913946  -8.380188      7.827893 
1 1 1 -26 17 3  o 14.81082 4.274725  4.921163       8.549450 
1 1 1 -26 17 4  o 20.11726 4.559398  -5.829468      9.118795 
1 1 1 -26 17 5  o 25.59477 4.595916  -16.73895      9.191833 
1 1 1 -26 17 6  o 25.74786 6.932358  ?              ?        
1 1 1 -26 17 7  o 17.09893 4.643087  3.396688       9.286175 
1 1 1 -26 17 8  o 30.30189 5.681740  ?              ?        
1 1 1 -26 17 9  o 11.56795 5.664470  ?              ?        
1 1 1 -26 17 10 o 13.51242 4.206695  3.635046       8.413389 
1 1 1 -26 17 11 o 22.02990 4.676417  9.861952       9.352835 
1 1 1 -26 17 12 o 14.09249 4.278753  4.315204       8.557507 
1 1 1 -26 17 13 o 14.61320 4.384155  4.661228       8.768310 
1 1 1 -26 17 14 o 11.31333 3.778473  -0.3259478     7.556947 
1 1 1 -26 17 15 o 11.42929 5.369553  ?              ?        
1 1 1 -26 18 5  o 9.391615 3.229733  -0.8889198E-02 6.459466 
1 1 1 -26 18 6  o 11.57376 3.764625  -0.9162874     7.529250 
1 1 1 -26 18 7  o 9.369467 4.517259  ?              ?        
1 1 1 -26 18 8  o 13.45525 3.905197  -6.835368      7.810395 
1 1 1 -26 18 9  o 14.16797 4.170041  7.221126       8.340082 
1 1 1 -26 18 10 o 16.70046 4.559334  -3.974632      9.118669 
1 1 1 -25 0  1  o 18.21699 8.481974  0.000000       0.000000 
1 1 1 -25 0  2  o 75.16212 3.323135  -0.000000      0.000000 
1 1 1 -25 0  3  o 41.11630 6.713467  0.000000       0.000000 
1 1 1 -25 0  4  o 49.84997 4.343059  -0.000000      0.000000 
1 1 1 -25 0  5  o 75.88782 3.352914  0.000000       0.000000 
1 1 1 -25 0  6  o 107.8701 2.991954  -0.000000      0.000000 
1 1 1 -25 0  7  o 72.43086 3.299112  0.000000       0.000000 
1 1 1 -25 0  8  o 77.95819 3.207894  0.000000       0.000000 
1 1 1 -25 0  9  o 44.26303 4.350140  -0.000000      0.000000 
1 1 1 -25 0  10 o 61.16761 3.606291  -0.000000      0.000000 
1 1 1 -25 0  11 o 75.62610 4.624866  0.000000       0.000000 
1 1 1 -25 0  12 o 16.51957 8.206312  -0.000000      0.000000 
1 1 1 -25 0  13 o 29.05007 8.637283  0.000000       0.000000 
1 1 1 -25 0  14 o 28.27149 7.136032  -0.000000      0.000000 
1 1 1 -25 0  15 o 26.18607 7.703777  0.000000       0.000000 
1 1 1 -25 0  16 o 45.33657 4.373861  0.000000       0.000000 
1 1 1 -25 0  17 o 70.27873 3.382648  -0.000000      0.000000 
1 1 1 -25 0  18 o 64.10413 3.598491  -0.000000      0.000000 
1 1 1 -25 0  19 o 88.46458 5.145813  0.000000       0.000000 
1 1 1 -25 0  20 o 10.10120 6.563523  0.000000       0.000000 
1 1 1 -25 0  21 o 22.85497 9.251967  0.000000       0.000000 
1 1 1 -25 0  22 o 8.441952 5.837723  0.000000       0.000000 
1 1 1 -25 0  23 o 17.09100 8.197709  -0.000000      0.000000 
1 1 1 -25 0  24 o 31.46850 6.113500  -0.000000      0.000000 
1 1 1 -25 0  25 o 19.12356 8.539817  -0.000000      0.000000 
1 1 1 -25 0  26 o 6.620199 4.817824  -0.000000      0.000000 
1 1 1 -25 0  27 o 21.86028 10.72934  0.000000       0.000000 
1 1 1 -25 0  28 x ?        ?         ?              ?        
1 1 1 -25 0  29 x ?        ?         ?              ?        
1 1 1 -25 0  30 x ?        ?         ?              ?        
1 1 1 -25 1  1  o 107.9855 2.193840  2.752136       4.387681 
1 1 1 -25 1  2  o 38.28977 3.523949  6.981564       7.047899 
1 1 1 -25 1  3  o 19.92736 5.182987  -9.434772      10.36597 
1 1 1 -25 1  4  o 45.68542 3.081989  8.597652       6.163978 
1 1 1 -25 1  5  o 60.63245 3.373584  -3.701405      6.747167 
1 1 1 -25 1  6  o 48.78819 3.546830  ?              ?        
1 1 1 -25 1  7  o 79.79590 2.224349  9.516121       4.448698 
1 1 1 -25 1  8  o 38.81933 3.331577  -2.417301      6.663154 
1 1 1 -25 1  9  o 16.51178 4.499034  -4.519040      8.998069 
1 1 1 -25 1  10 o 17.16084 4.652371  5.905848       9.304743 
1 1 1 -25 1  11 o 67.36492 3.559258  -3.144608      7.118516 
1 1 1 -25 1  12 f 53.72002 2.760468  -2.438076      5.520937 
1 1 1 -25 1  13 o 79.99944 3.061606  -6.931030      6.123212 
1 1 1 -25 1  14 o 33.11800 3.877917  0.7334175      7.755834 
1 1 1 -25 1  15 o 18.27913 4.681658  -4.983464      9.363316 
1 1 1 -25 1  16 o 14.60707 4.429001  -1.247990      8.858002 
1 1 1 -25 1  17 o 67.49093 2.481590  -1.226746      4.963181 
1 1 1 -25 1  18 o 87.57650 2.284724  -2.532211      4.569448 
1 1 1 -25 1  19 o 47.61719 5.281013  -17.18086      10.56203 
1 1 1 -25 1  20 o 27.70452 5.467081  ?              ?        
1 1 1 -25 1  21 o 26.05128 5.409040  0.2965240      10.81808 
1 1 1 -25 1  22 o 28.75837 4.392132  9.195604       8.784265 
1 1 1 -25 1  23 o 21.57208 4.305830  -10.57515      8.611660 
1 1 1 -25 1  24 o 26.83550 4.399201  -5.058121      8.798403 
1 1 1 -25 1  25 o 17.93049 4.729701  4.771034       9.459401 
1 1 1 -25 1  26 o 19.03921 4.758121  -6.848710      9.516243 
1 1 1 -25 1  27 o 23.91291 5.580212  14.08343       11.16042 
1 1 1 -25 1  28 x ?        ?         ?              ?        
1 1 1 -25 1  29 x ?        ?         ?              ?        
1 1 1 -25 1  30 x ?        ?         ?              ?        
1 1 1 -25 2  1  o 60.18819 2.615479  -1.983116      5.230959 
1 1 1 -25 2  2  o 25.19316 5.079116  -7.478024      10.15823 
1 1 1 -25 2  3  o 26.27717 4.811317  -15.06888      9.622634 
1 1 1 -25 2  4  o 31.41946 4.823140  -3.877279      9.646279 
1 1 1 -25 2  5  o 54.01164 2.756993  5.499058       5.513986 
1 1 1 -25 2  6  o 55.57545 2.761246  -11.51221      5.522493 
1 1 1 -25 2  7  o 15.41568 4.404973  10.24880       8.809946 
1 1 1 -25 2  8  o 31.28265 4.186522  -10.02663      8.373043 
1 1 1 -25 2  9  o 14.15028 4.308866  -1.243882      8.617731 
1 1 1 -25 2  10 o 80.99324 2.278453  -1.467705      4.556906 
1 1 1 -25 2  11 o 16.35090 5.061932  -2.377775      10.12386 
1 1 1 -25 2  12 o 100.4765 2.176584  0.9975281      4.353167 
1 1 1 -25 2  13 o 28.64563 5.418015  17.34789       10.83603 
1 1 1 -25 2  14 o 43.08647 3.158704  0.1405945      6.317408 
1 1 1 -25 2  15 o 26.78090 4.405690  -13.75154      8.811380 
1 1 1 -25 2  16 o 59.52132 2.672841  0.3192558      5.345681 
1 1 1 -25 2  17 o 57.39610 2.744373  -0.2206955     5.488747 
1 1 1 -25 2  18 o 47.37901 4.782318  ?              ?        
1 1 1 -25 2  19 o 20.62713 5.475709  -10.89639      10.95142 
1 1 1 -25 2  20 o 37.37418 3.576518  1.531330       7.153035 
1 1 1 -25 2  21 o 46.40999 4.133940  -7.209904      8.267880 
1 1 1 -25 2  22 o 28.70528 4.252590  -11.50489      8.505180 
1 1 1 -25 2  23 o 21.22695 5.474505  -4.525730      10.94901 
1 1 1 -25 2  24 o 19.74583 4.789279  1.348192       9.578558 
1 1 1 -25 2  25 o 37.98779 3.539037  -5.216702      7.078074 
1 1 1 -25 2  26 o 25.85617 5.668732  -11.37160      11.33746 
1 1 1 -25 2  27 o 24.95729 5.882583  -11.48160      11.76517 
1 1 1 -25 2  28 x ?        ?         ?              ?        
1 1 1 -25 2  29 x ?        ?         ?              ?        
1 1 1 -25 2  30 x ?        ?         ?              ?        
1 1 1 -25 3  1  o 17.49549 4.723328  -1.437447      9.446656 
1 1 1 -25 3  2  o 25.39088 5.002428  -6.244076      10.00486 
1 1 1 -25 3  3  o 78.33530 2.326437  -5.639313      4.652874 
1 1 1 -25 3  4  o 60.64253 3.727484  0.7017021      7.454967 
1 1 1 -25 3  5  o 16.10667 4.535487  -2.173609      9.070973 
1 1 1 -25 3  6  o 71.84550 2.441902  -6.800774      4.883804 
1 1 1 -25 3  7  o 38.31639 3.834740  -9.557674      7.669480 
1 1 1 -25 3  8  o 95.06506 2.242329  -1.278290      4.484659 
1 1 1 -25 3  9  o 72.90857 2.361346  -4.231071      4.722692 
1 1 1 -25 3  10 o 70.13030 2.406661  -2.271088      4.813323 
1 1 1 -25 3  11 o 63.10155 2.955715  -5.186234      5.911429 
1 1 1 -25 3  12 f 55.71886 2.925272  -4.725960      5.850544 
1 1 1 -25 3  13 o 109.5627 2.848048  4.378754       5.696096 
1 1 1 -25 3  14 o 60.03358 2.625084  7.347988       5.250168 
1 1 1 -25 3  15 o 91.31228 2.287529  -1.918488      4.575057 
1 1 1 -25 3  16 o 28.97409 4.498533  -4.224636      8.997066 
1 1 1 -25 3  17 f 18.36414 4.872355  5.958645       9.744711 
1 1 1 -25 3  18 o 24.70074 4.562278  -6.225208      9.124556 
1 1 1 -25 3  19 o 25.62211 5.989776  10.15903       11.97955 
1 1 1 -25 3  20 o 16.76918 4.709342  3.314893       9.418684 
1 1 1 -25 3  21 o 38.51784 4.878331  -21.98048      9.756662 
1 1 1 -25 3  22 o 37.00298 3.468673  0.6325111      6.937346 
1 1 1 -25 3  23 f 20.77591 5.406735  13.81850       10.81347 
1 1 1 -25 3  24 o 13.95599 4.218606  -2.270712      8.437212 
1 1 1 -25 3  25 o 12.78774 4.063815  1.270938       8.127630 
1 1 1 -25 3  26 o 26.52186 5.792066  -9.136719      11.58413 
1 1 1 -25 3  27 o 20.97538 5.842599  -3.773388      11.68520 
1 1 1 -25 3  28 x ?        ?         ?              ?        
1 1 1 -25 3  29 x ?        ?         ?              ?        
1 1 1 -25 3  30 x ?        ?         ?              ?        
1 1 1 -25 4  1  o 47.42817 4.175580  -11.78688      8.351160 
1 1 1 -25 4  2  o 55.23112 3.115978  -1.838547      6.231956 
1 1 1 -25 4  3  o 45.79344 3.468230  -4.912071      6.936460 
1 1 1 -25 4  4  o 68.04330 3.302588  ?              ?        
1 1 1 -25 4  5  o 76.83553 2.451530  -7.914955      4.903059 
1 1 1 -25 4  6  o 39.41442 3.391349  2.850750       6.782697 
1 1 1 -25 4  7  o 94.32195 2.298996  -6.366325      4.597993 
1 1 1 -25 4  8  o 18.59816 4.113430  -9.535041      8.226859 
1 1 1 -25 4  9  o 66.73769 2.483545  -3.632431      4.967091 
1 1 1 -25 4  10 o 65.77776 3.458625  0.2402115      6.917250 
1 1 1 -25 4  11 o 36.84882 4.742956  -16.86131      9.485912 
1 1 1 -25 4  12 o 43.77117 3.735999  -3.239204      7.471997 
1 1 1 -25 4  13 o 26.52207 4.665272  -3.410236      9.330544 
1 1 1 -25 4  14 o 70.80553 2.486815  1.644363       4.973630 
1 1 1 -25 4  15 o 42.26288 3.449256  0.5992737      6.898513 
1 1 1 -25 4  16 o 29.69538 4.453064  -14.22109      8.906129 
1 1 1 -25 4  17 o 46.98080 3.046670  4.662392       6.093340 
1 1 1 -25 4  18 o 14.16022 4.311388  1.685760       8.622775 
1 1 1 -25 4  19 o 20.72155 5.166075  -13.78997      10.33215 
1 1 1 -25 4  20 o 19.89260 5.213654  1.802362       10.42731 
1 1 1 -25 4  21 o 22.44707 4.898719  6.056656       9.797438 
1 1 1 -25 4  22 o 19.42335 4.863198  -0.5589886     9.726396 
1 1 1 -25 4  23 o 34.16415 5.457983  19.11488       10.91597 
1 1 1 -25 4  24 o 24.12277 6.990857  ?              ?        
1 1 1 -25 4  25 o 16.34358 4.701506  -0.3652859     9.403011 
1 1 1 -25 4  26 o 15.63671 4.987172  -4.392415      9.974344 
1 1 1 -25 4  27 o 28.24788 8.225443  ?              ?        
1 1 1 -25 4  28 x ?        ?         ?              ?        
1 1 1 -25 4  29 x ?        ?         ?              ?        
1 1 1 -25 5  1  o 137.5100 2.308246  -5.668579      4.616492 
1 1 1 -25 5  2  o 97.97183 2.570736  -6.892326      5.141471 
1 1 1 -25 5  3  o 62.00403 2.769444  -15.61825      5.538887 
1 1 1 -25 5  4  o 58.47260 3.166990  ?              ?        
1 1 1 -25 5  5  o 21.98748 5.588345  -3.425987      11.17669 
1 1 1 -25 5  6  o 66.33527 2.633124  -11.26986      5.266248 
1 1 1 -25 5  7  o 40.85549 3.457091  6.225594       6.914181 
1 1 1 -25 5  8  f 45.03755 3.314833  -1.649296      6.629666 
1 1 1 -25 5  9  o 67.79113 2.664357  -10.24081      5.328715 
1 1 1 -25 5  10 o 50.65691 3.455274  -4.436325      6.910547 
1 1 1 -25 5  11 o 22.83998 4.664066  -5.496115      9.328132 
1 1 1 -25 5  12 o 33.90376 5.189312  6.067738       10.37862 
1 1 1 -25 5  13 o 41.54055 3.489254  5.238075       6.978509 
1 1 1 -25 5  14 o 55.82921 3.048584  -5.874317      6.097167 
1 1 1 -25 5  15 o 47.17484 3.208688  -5.267574      6.417377 
1 1 1 -25 5  16 o 25.49989 4.703653  -3.183453      9.407307 
1 1 1 -25 5  17 o 17.35474 4.499957  -4.800098      8.999914 
1 1 1 -25 5  18 o 27.15086 4.499364  -19.03171      8.998729 
1 1 1 -25 5  19 o 27.03694 4.818005  1.688602       9.636010 
1 1 1 -25 5  20 o 18.22321 5.185708  -2.102869      10.37142 
1 1 1 -25 5  21 o 28.24063 4.420618  -9.242544      8.841236 
1 1 1 -25 5  22 o 24.78906 4.980219  10.73636       9.960438 
1 1 1 -25 5  23 o 24.17946 5.815018  -1.534933      11.63004 
1 1 1 -25 5  24 o 30.85382 4.263680  -21.87044      8.527360 
1 1 1 -25 5  25 f 24.86120 4.933351  4.380310       9.866702 
1 1 1 -25 5  26 o 22.41077 5.821553  -12.40957      11.64311 
1 1 1 -25 5  27 x ?        ?         ?              ?        
1 1 1 -25 5  28 x ?        ?         ?              ?        
1 1 1 -25 5  29 x ?        ?         ?              ?        
1 1 1 -25 6  1  f 54.99163 4.419754  -20.00499      8.839508 
1 1 1 -25 6  2  o 62.62450 3.139452  -13.50335      6.278903 
1 1 1 -25 6  3  o 29.96792 5.325442  -11.72429      10.65088 
1 1 1 -25 6  4  o 35.56918 4.875299  -23.69906      9.750597 
1 1 1 -25 6  5  o 17.96736 5.418649  1.913908       10.83730 
1 1 1 -25 6  6  o 33.70493 4.435837  -20.75633      8.871674 
1 1 1 -25 6  7  f 35.25389 4.164249  3.844360       8.328498 
1 1 1 -25 6  8  o 87.46318 2.445868  -10.55801      4.891737 
1 1 1 -25 6  9  o 25.79124 5.660539  13.56823       11.32108 
1 1 1 -25 6  10 o 24.47620 5.483659  4.951777       10.96732 
1 1 1 -25 6  11 o 23.44870 5.090742  12.96608       10.18148 
1 1 1 -25 6  12 o 37.64027 5.236846  1.985630       10.47369 
1 1 1 -25 6  13 o 36.84471 4.402175  -17.28579      8.804350 
1 1 1 -25 6  14 o 28.09027 4.718749  6.774519       9.437497 
1 1 1 -25 6  15 o 41.64187 3.594994  -2.862991      7.189988 
1 1 1 -25 6  16 o 34.10429 4.346119  -6.164761      8.692239 
1 1 1 -25 6  17 o 14.51890 4.408898  -1.111760      8.817796 
1 1 1 -25 6  18 o 55.33363 3.783056  -25.24950      7.566112 
1 1 1 -25 6  19 o 59.70721 2.985618  -16.88844      5.971237 
1 1 1 -25 6  20 o 16.28614 4.867452  -2.453046      9.734904 
1 1 1 -25 6  21 o 20.02048 4.867476  -6.180321      9.734953 
1 1 1 -25 6  22 o 30.42109 5.269853  -15.43820      10.53971 
1 1 1 -25 6  23 o 29.25143 4.346983  -13.91961      8.693967 
1 1 1 -25 6  24 o 16.45254 4.647151  1.238966       9.294302 
1 1 1 -25 6  25 o 18.72111 5.094479  -16.94893      10.18896 
1 1 1 -25 6  26 o 30.49541 5.607170  -13.98458      11.21434 
1 1 1 -25 6  27 x ?        ?         ?              ?        
1 1 1 -25 6  28 x ?        ?         ?              ?        
1 1 1 -25 6  29 x ?        ?         ?              ?        
1 1 1 -25 7  1  o 25.95919 9.669124  ?              ?        
1 1 1 -25 7  2  o 38.25048 4.956522  -14.15204      9.913045 
1 1 1 -25 7  3  o 59.81271 2.992073  -9.828751      5.984145 
1 1 1 -25 7  4  o 33.95835 5.205153  2.285954       10.41031 
1 1 1 -25 7  5  o 35.28265 4.520369  -16.30640      9.040737 
1 1 1 -25 7  6  o 49.38059 3.200780  1.042637       6.401560 
1 1 1 -25 7  7  o 94.95515 2.522779  -14.91144      5.045558 
1 1 1 -25 7  8  o 67.66753 3.749388  -12.76502      7.498776 
1 1 1 -25 7  9  o 74.91199 2.955921  -9.229752      5.911842 
1 1 1 -25 7  10 o 55.91270 3.421257  -7.374668      6.842514 
1 1 1 -25 7  11 o 22.85658 5.431717  -1.758080      10.86343 
1 1 1 -25 7  12 o 40.23231 4.091386  -4.010887      8.182773 
1 1 1 -25 7  13 o 44.38242 3.480774  2.904133       6.961548 
1 1 1 -25 7  14 o 38.32984 3.919953  0.4724579      7.839905 
1 1 1 -25 7  15 o 25.80770 4.996022  8.658537       9.992043 
1 1 1 -25 7  16 o 28.87012 4.860340  3.088627       9.720679 
1 1 1 -25 7  17 o 20.54239 5.500127  1.872610       11.00025 
1 1 1 -25 7  18 o 18.99358 5.191221  -7.931654      10.38244 
1 1 1 -25 7  19 o 31.02693 5.803689  -6.585224      11.60738 
1 1 1 -25 7  20 o 55.54885 3.103667  -18.71747      6.207335 
1 1 1 -25 7  21 o 19.19972 4.843991  -4.278919      9.687982 
1 1 1 -25 7  22 o 35.65370 5.372668  -12.14645      10.74534 
1 1 1 -25 7  23 o 16.55987 4.778013  5.716768       9.556026 
1 1 1 -25 7  24 o 19.22034 4.895240  -11.15890      9.790480 
1 1 1 -25 7  25 o 16.04478 5.043379  -3.871197      10.08676 
1 1 1 -25 7  26 o 28.45530 7.431653  ?              ?        
1 1 1 -25 7  27 x ?        ?         ?              ?        
1 1 1 -25 7  28 x ?        ?         ?              ?        
1 1 1 -25 8  1  o 20.73490 8.436911  ?              ?        
1 1 1 -25 8  2  o 54.60216 2.616058  ?              ?        
1 1 1 -25 8  3  o 18.69726 4.368827  -8.004999      8.737654 
1 1 1 -25 8  4  o 24.59350 5.846477  7.678787       11.69295 
1 1 1 -25 8  5  o 26.19361 4.419807  -15.20407      8.839615 
1 1 1 -25 8  6  o 43.60025 3.586697  8.115070       7.173395 
1 1 1 -25 8  7  o 60.29688 3.644737  4.493893       7.289475 
1 1 1 -25 8  8  o 30.14866 4.712356  -1.118494      9.424712 
1 1 1 -25 8  9  o 62.33524 4.993147  ?              ?        
1 1 1 -25 8  10 o 40.58267 4.363348  -11.58231      8.726697 
1 1 1 -25 8  11 o 73.10468 2.751756  -15.81255      5.503512 
1 1 1 -25 8  12 o 40.10319 3.754959  5.388748       7.509918 
1 1 1 -25 8  13 o 40.41016 4.563928  -19.36029      9.127856 
1 1 1 -25 8  14 f 23.05400 3.616098  -21.41568      7.232196 
1 1 1 -25 8  15 f 38.21499 3.997358  -3.798847      7.994715 
1 1 1 -25 8  16 o 33.46086 4.899511  -19.08419      9.799023 
1 1 1 -25 8  17 o 23.91949 5.296110  -4.036537      10.59222 
1 1 1 -25 8  18 o 22.20416 4.919689  -13.07457      9.839378 
1 1 1 -25 8  19 o 22.14321 5.795272  17.28735       11.59054 
1 1 1 -25 8  20 o 20.14203 5.059622  1.992502       10.11924 
1 1 1 -25 8  21 o 22.46060 4.711700  -12.10641      9.423401 
1 1 1 -25 8  22 o 16.78924 5.207709  3.600646       10.41542 
1 1 1 -25 8  23 o 28.00244 6.418289  ?              ?        
1 1 1 -25 8  24 o 15.33494 4.882469  3.258163       9.764937 
1 1 1 -25 8  25 o 16.93055 5.228262  -10.42129      10.45652 
1 1 1 -25 8  26 x ?        ?         ?              ?        
1 1 1 -25 8  27 x ?        ?         ?              ?        
1 1 1 -25 8  28 x ?        ?         ?              ?        
1 1 1 -25 9  1  o 42.45290 3.088005  ?              ?        
1 1 1 -25 9  2  o 20.43941 4.528309  -8.469706      9.056619 
1 1 1 -25 9  3  o 25.34668 5.196427  11.19206       10.39285 
1 1 1 -25 9  4  o 20.29026 5.604041  11.96914       11.20808 
1 1 1 -25 9  5  o 25.30919 4.682773  -13.27182      9.365545 
1 1 1 -25 9  6  o 23.81116 5.181623  -4.506899      10.36325 
1 1 1 -25 9  7  o 73.99901 2.838096  -4.818001      5.676191 
1 1 1 -25 9  8  o 66.66148 5.103855  ?              ?        
1 1 1 -25 9  9  o 15.09986 4.319587  -6.080079      8.639174 
1 1 1 -25 9  10 o 27.14487 6.211935  19.99467       12.42387 
1 1 1 -25 9  11 o 28.19887 4.392903  -17.56775      8.785807 
1 1 1 -25 9  12 o 18.20597 4.880206  2.518925       9.760412 
1 1 1 -25 9  13 o 29.42018 4.661418  -6.794041      9.322836 
1 1 1 -25 9  14 o 47.51664 3.558079  -9.428162      7.116157 
1 1 1 -25 9  15 o 23.07660 4.198871  -15.50423      8.397741 
1 1 1 -25 9  16 o 38.26450 3.755766  13.33616       7.511533 
1 1 1 -25 9  17 o 31.01743 4.533997  3.596498       9.067993 
1 1 1 -25 9  18 o 26.93055 5.880344  6.013147       11.76069 
1 1 1 -25 9  19 o 14.59384 4.449291  3.389281       8.898582 
1 1 1 -25 9  20 o 27.60157 4.497796  1.121492       8.995592 
1 1 1 -25 9  21 o 18.55280 4.280513  -10.76310      8.561026 
1 1 1 -25 9  22 o 16.72819 5.000870  3.538414       10.00174 
1 1 1 -25 9  23 o 22.71284 4.598724  -15.12602      9.197449 
1 1 1 -25 9  24 o 25.83432 6.160465  -9.429073      12.32093 
1 1 1 -25 9  25 o 13.67857 6.136692  ?              ?        
1 1 1 -25 9  26 x ?        ?         ?              ?        
1 1 1 -25 9  27 x ?        ?         ?              ?        
1 1 1 -25 10 1  o 35.27061 4.911681  -17.75715      9.823361 
1 1 1 -25 10 2  o 58.68895 3.475225  -0.5554199E-01 6.950451 
1 1 1 -25 10 3  o 28.45446 5.135219  8.830795       10.27044 
1 1 1 -25 10 4  o 21.21548 5.364171  -6.226402      10.72834 
1 1 1 -25 10 5  o 20.19484 4.961125  -4.670874      9.922250 
1 1 1 -25 10 6  o 27.63374 5.682417  7.414696       11.36483 
1 1 1 -25 10 7  o 18.56569 8.100742  ?              ?        
1 1 1 -25 10 8  o 54.46614 3.908742  0.2725296      7.817485 
1 1 1 -25 10 9  o 31.54158 6.035083  6.010857       12.07017 
1 1 1 -25 10 10 o 48.07551 3.474696  -8.431618      6.949392 
1 1 1 -25 10 11 o 28.92253 4.704010  -6.671646      9.408020 
1 1 1 -25 10 12 o 22.92626 4.887263  -1.916616      9.774527 
1 1 1 -25 10 13 o 22.99978 4.902494  -1.763248      9.804989 
1 1 1 -25 10 14 o 16.39365 4.745744  11.44353       9.491488 
1 1 1 -25 10 15 o 26.73603 5.202318  -1.090082      10.40464 
1 1 1 -25 10 16 o 44.89205 3.738489  -5.613331      7.476977 
1 1 1 -25 10 17 o 25.10401 5.473915  -11.80412      10.94783 
1 1 1 -25 10 18 o 12.96722 4.189051  5.244745       8.378101 
1 1 1 -25 10 19 o 51.51353 2.951453  -5.948940      5.902906 
1 1 1 -25 10 20 o 26.30263 4.051949  -19.64601      8.103898 
1 1 1 -25 10 21 o 15.90301 4.424204  -4.451175      8.848409 
1 1 1 -25 10 22 o 18.44809 4.870983  -7.420954      9.741965 
1 1 1 -25 10 23 o 27.03846 5.935018  7.674889       11.87004 
1 1 1 -25 10 24 o 14.07574 6.180208  ?              ?        
1 1 1 -25 10 25 x ?        ?         ?              ?        
1 1 1 -25 10 26 x ?        ?         ?              ?        
1 1 1 -25 10 27 x ?        ?         ?              ?        
1 1 1 -25 11 1  o 33.95221 4.530379  -1.645607      9.060758 
1 1 1 -25 11 2  o 13.72589 4.494946  4.803516       8.989891 
1 1 1 -25 11 3  o 29.02196 5.132376  -2.416985      10.26475 
1 1 1 -25 11 4  o 32.79966 5.492285  -18.36793      10.98457 
1 1 1 -25 11 5  o 14.50553 4.739305  8.549875       9.478609 
1 1 1 -25 11 6  x ?        ?         ?              ?        
1 1 1 -25 11 7  f 30.15029 4.961392  -3.543533      9.922784 
1 1 1 -25 11 8  o 22.16973 6.238172  ?              ?        
1 1 1 -25 11 9  o 57.08842 3.590611  -16.24215      7.181221 
1 1 1 -25 11 10 o 17.59250 4.778828  -2.805689      9.557656 
1 1 1 -25 11 11 o 36.74006 4.198060  -13.97937      8.396119 
1 1 1 -25 11 12 o 18.59910 4.882468  -1.242661      9.764935 
1 1 1 -25 11 13 o 27.77269 4.737766  4.264009       9.475532 
1 1 1 -25 11 14 f 20.29408 5.182172  0.3386917      10.36434 
1 1 1 -25 11 15 f 39.56894 4.275565  -19.16098      8.551129 
1 1 1 -25 11 16 o 44.20715 4.348833  -21.05419      8.697665 
1 1 1 -25 11 17 o 14.23764 4.401522  1.711244       8.803044 
1 1 1 -25 11 18 o 14.76279 4.372514  4.774214       8.745028 
1 1 1 -25 11 19 o 15.96581 4.288791  9.589730       8.577581 
1 1 1 -25 11 20 o 28.62617 4.256523  9.997055       8.513045 
1 1 1 -25 11 21 o 14.65940 4.545297  -2.962202      9.090593 
1 1 1 -25 11 22 o 12.47401 4.342318  -4.684858      8.684636 
1 1 1 -25 11 23 f 24.32430 5.935913  -7.494722      11.87183 
1 1 1 -25 11 24 x ?        ?         ?              ?        
1 1 1 -25 11 25 x ?        ?         ?              ?        
1 1 1 -25 11 26 x ?        ?         ?              ?        
1 1 1 -25 12 1  o 26.07486 5.197433  10.63200       10.39487 
1 1 1 -25 12 2  o 29.25886 4.654088  -13.31396      9.308176 
1 1 1 -25 12 3  o 24.74051 5.258078  1.551857       10.51616 
1 1 1 -25 12 4  o 25.45289 5.895904  6.562523       11.79181 
1 1 1 -25 12 5  o 19.33475 5.359943  11.89709       10.71989 
1 1 1 -25 12 6  o 36.64456 9.263912  ?              ?        
1 1 1 -25 12 7  x ?        ?         ?              ?        
1 1 1 -25 12 8  o 20.55692 5.011134  -4.850784      10.02227 
1 1 1 -25 12 9  o 19.15419 5.037979  4.079025       10.07596 
1 1 1 -25 12 10 o 17.32226 7.364554  ?              ?        
1 1 1 -25 12 11 o 25.99383 4.317092  -17.31500      8.634184 
1 1 1 -25 12 12 o 31.28090 4.758780  9.144005       9.517559 
1 1 1 -25 12 13 o 14.88622 4.495111  6.120186       8.990223 
1 1 1 -25 12 14 o 35.07571 4.487282  -7.338001      8.974565 
1 1 1 -25 12 15 o 20.37270 5.131892  6.301563       10.26378 
1 1 1 -25 12 16 o 15.59989 4.578686  -3.915479      9.157372 
1 1 1 -25 12 17 o 21.07717 4.601237  -8.928766      9.202474 
1 1 1 -25 12 18 o 17.14284 4.538332  -5.033866      9.076664 
1 1 1 -25 12 19 o 21.33783 4.695865  -7.316067      9.391729 
1 1 1 -25 12 20 o 18.18643 4.797803  -0.6974487     9.595606 
1 1 1 -25 12 21 o 17.49893 4.231694  -14.40158      8.463388 
1 1 1 -25 12 22 o 39.14907 4.736081  -22.67954      9.472161 
1 1 1 -25 12 23 x ?        ?         ?              ?        
1 1 1 -25 12 24 x ?        ?         ?              ?        
1 1 1 -25 12 25 x ?        ?         ?              ?        
1 1 1 -25 13 1  o 15.61878 4.672945  5.435233       9.345889 
1 1 1 -25 13 2  o 14.66598 4.562000  5.902801       9.124000 
1 1 1 -25 13 3  o 15.38114 4.697710  -4.646936      9.395420 
1 1 1 -25 13 4  o 16.46277 4.872002  -1.600021      9.744003 
1 1 1 -25 13 5  o 25.89802 3.976695  -23.59866      7.953390 
1 1 1 -25 13 6  o 11.60535 5.352076  ?              ?        
1 1 1 -25 13 7  o 38.06510 5.019452  -5.867821      10.03890 
1 1 1 -25 13 8  o 19.65550 5.121349  -0.8521080     10.24270 
1 1 1 -25 13 9  o 39.28721 4.353288  1.027542       8.706576 
1 1 1 -25 13 10 o 21.82710 4.770480  -7.749271      9.540960 
1 1 1 -25 13 11 o 15.83977 4.787160  3.570965       9.574321 
1 1 1 -25 13 12 o 16.63502 4.663743  -3.489678      9.327487 
1 1 1 -25 13 13 o 40.26270 7.419340  ?              ?        
1 1 1 -25 13 14 o 25.99401 5.154430  -1.786520      10.30886 
1 1 1 -25 13 15 o 10.32103 4.876789  ?              ?        
1 1 1 -25 13 16 o 19.80206 4.467881  -8.528329      8.935762 
1 1 1 -25 13 17 o 24.89752 4.206501  -12.71319      8.413003 
1 1 1 -25 13 18 o 17.70759 4.726106  -4.693582      9.452212 
1 1 1 -25 13 19 o 20.78846 4.844099  -1.326530      9.688198 
1 1 1 -25 13 20 o 25.27423 5.020230  -4.362764      10.04046 
1 1 1 -25 13 21 o 25.69679 5.581049  -9.870424      11.16210 
1 1 1 -25 13 22 o 12.13862 5.643249  ?              ?        
1 1 1 -25 13 23 x ?        ?         ?              ?        
1 1 1 -25 13 24 x ?        ?         ?              ?        
1 1 1 -25 14 1  f 12.25600 4.057989  0.1917009      8.115978 
1 1 1 -25 14 2  o 23.12696 5.460795  5.476862       10.92159 
1 1 1 -25 14 3  o 35.42422 4.241000  -23.84179      8.481999 
1 1 1 -25 14 4  o 34.64465 4.763992  ?              ?        
1 1 1 -25 14 5  o 32.83498 4.488014  -11.24006      8.976027 
1 1 1 -25 14 6  f 14.65267 4.502820  5.678315       9.005641 
1 1 1 -25 14 7  o 14.92800 4.580258  -0.1620541     9.160517 
1 1 1 -25 14 8  o 27.35833 5.072356  -4.756580      10.14471 
1 1 1 -25 14 9  o 19.22859 5.185489  4.243908       10.37098 
1 1 1 -25 14 10 o 21.83780 4.933176  -6.920881      9.866352 
1 1 1 -25 14 11 o 39.01547 4.633843  -23.52930      9.267687 
1 1 1 -25 14 12 o 46.64957 6.436950  ?              ?        
1 1 1 -25 14 13 o 23.87280 4.628695  -12.45696      9.257389 
1 1 1 -25 14 14 o 42.91387 4.475535  -15.54932      8.951070 
1 1 1 -25 14 15 o 16.67812 4.672044  -2.240816      9.344089 
1 1 1 -25 14 16 o 18.97848 5.092640  5.970013       10.18528 
1 1 1 -25 14 17 o 16.64230 4.604136  -5.817942      9.208271 
1 1 1 -25 14 18 o 18.28286 5.025356  2.502462       10.05071 
1 1 1 -25 14 19 o 22.64169 4.452670  -12.94434      8.905340 
1 1 1 -25 14 20 o 14.76230 4.784894  -3.449040      9.569789 
1 1 1 -25 14 21 o 14.70219 6.419301  ?              ?        
1 1 1 -25 14 22 x ?        ?         ?              ?        
1 1 1 -25 14 23 x ?        ?         ?              ?        
1 1 1 -25 15 1  o 10.34600 3.482135  -0.3673401     6.964270 
1 1 1 -25 15 2  o 19.47572 4.740644  6.495869       9.481288 
1 1 1 -25 15 3  o 50.33961 3.763921  ?              ?        
1 1 1 -25 15 4  o 33.96316 4.409523  -17.80329      8.819047 
1 1 1 -25 15 5  o 16.83052 6.916291  ?              ?        
1 1 1 -25 15 6  o 18.76521 4.733201  -3.045153      9.466401 
1 1 1 -25 15 7  o 24.45550 8.215496  ?              ?        
1 1 1 -25 15 8  o 14.70288 4.374044  -3.311708      8.748088 
1 1 1 -25 15 9  o 18.57343 5.051430  4.328098       10.10286 
1 1 1 -25 15 10 o 33.78176 7.430846  ?              ?        
1 1 1 -25 15 11 o 26.84243 4.888526  -7.172092      9.777053 
1 1 1 -25 15 12 f 30.85292 5.541340  ?              ?        
1 1 1 -25 15 13 o 31.44462 4.363816  -11.67888      8.727632 
1 1 1 -25 15 14 f 22.67542 5.032014  6.759027       10.06403 
1 1 1 -25 15 15 o 32.01765 4.558877  -16.17558      9.117754 
1 1 1 -25 15 16 o 11.03888 3.687340  -1.161967      7.374680 
1 1 1 -25 15 17 o 26.19049 4.367293  -18.68541      8.734586 
1 1 1 -25 15 18 f 16.82820 6.828377  ?              ?        
1 1 1 -25 15 19 o 13.87990 4.580922  -3.120019      9.161843 
1 1 1 -25 15 20 o 17.93344 6.862284  ?              ?        
1 1 1 -25 15 21 x ?        ?         ?              ?        
1 1 1 -25 16 1  o 21.29779 6.116263  ?              ?        
1 1 1 -25 16 2  o 22.14416 3.848684  -18.06570      7.697367 
1 1 1 -25 16 3  o 18.08384 4.698900  -1.708899      9.397800 
1 1 1 -25 16 4  o 15.96088 4.164862  -6.835700      8.329723 
1 1 1 -25 16 5  o 20.87513 4.818280  -1.640722      9.636559 
1 1 1 -25 16 6  o 19.25816 4.759999  3.605837       9.519999 
1 1 1 -25 16 7  o 15.38016 4.236256  -9.338012      8.472511 
1 1 1 -25 16 8  o 24.30029 5.182751  1.357771       10.36550 
1 1 1 -25 16 9  o 24.91266 5.494228  -9.946978      10.98846 
1 1 1 -25 16 10 o 19.38873 4.595743  8.712834       9.191486 
1 1 1 -25 16 11 o 15.12853 6.165605  ?              ?        
1 1 1 -25 16 12 o 9.130617 3.188609  0.6486158      6.377217 
1 1 1 -25 16 13 f 16.18729 4.094650  -12.20288      8.189301 
1 1 1 -25 16 14 o 17.32904 4.556509  -6.265536      9.113018 
1 1 1 -25 16 15 o 19.73113 4.754952  11.59525       9.509905 
1 1 1 -25 16 16 o 21.93664 4.931867  0.4554367      9.863733 
1 1 1 -25 16 17 o 17.93539 4.881705  2.571390       9.763411 
1 1 1 -25 16 18 o 21.23997 7.153728  ?              ?        
1 1 1 -25 16 19 x ?        ?         ?              ?        
1 1 1 -25 16 20 x ?        ?         ?              ?        
1 1 1 -25 17 1  o 21.44874 6.616357  ?              ?        
1 1 1 -25 17 2  o 11.07851 3.630215  0.2814131      7.260430 
1 1 1 -25 17 3  o 18.97295 4.503325  -6.408911      9.006650 
1 1 1 -25 17 4  o 24.12243 3.858921  -21.48941      7.717843 
1 1 1 -25 17 5  o 17.83304 4.643576  -0.8312302     9.287152 
1 1 1 -25 17 6  o 27.25346 4.822992  -10.00482      9.645984 
1 1 1 -25 17 7  o 50.85250 4.189122  -23.40411      8.378244 
1 1 1 -25 17 8  o 10.65357 3.579168  -0.9793119     7.158337 
1 1 1 -25 17 9  o 13.57619 5.724472  ?              ?        
1 1 1 -25 17 10 o 18.88310 4.703072  -0.5033684     9.406143 
1 1 1 -25 17 11 o 9.414697 4.640077  ?              ?        
1 1 1 -25 17 12 o 17.78505 4.602398  -2.319590      9.204796 
1 1 1 -25 17 13 o 17.15044 4.572667  -4.895308      9.145334 
1 1 1 -25 17 14 o 16.59125 4.653223  -3.005734      9.306446 
1 1 1 -25 17 15 o 14.26157 4.296233  1.666607       8.592466 
1 1 1 -25 17 16 o 13.26272 4.328198  -1.574078      8.656396 
1 1 1 -25 17 17 o 23.86493 7.253076  ?              ?        
1 1 1 -25 17 18 x ?        ?         ?              ?        
1 1 1 -25 18 1  o 20.09239 3.808245  -15.68692      7.616489 
1 1 1 -25 18 2  o 12.07807 3.872043  1.735482       7.744086 
1 1 1 -25 18 3  o 18.56744 4.525746  5.569050       9.051492 
1 1 1 -25 18 4  o 15.34945 4.415690  -9.079663      8.831380 
1 1 1 -25 18 5  f 11.98889 3.851852  -2.178566      7.703705 
1 1 1 -25 18 6  f 14.24804 4.278066  -1.843532      8.556132 
1 1 1 -25 18 7  o 21.78868 4.533688  -9.076138      9.067375 
1 1 1 -25 18 8  f 17.39849 6.462341  ?              ?        
1 1 1 -25 18 9  o 19.12198 4.518790  -7.453430      9.037580 
1 1 1 -25 18 10 o 12.51076 3.911550  5.946096       7.823099 
1 1 1 -25 18 11 o 20.15005 4.794314  4.819584       9.588628 
1 1 1 -25 18 12 o 13.45449 4.009509  -7.153199      8.019018 
1 1 1 -25 18 13 o 17.84756 4.700004  6.745742       9.400008 
1 1 1 -25 18 14 o 12.23723 3.948113  1.020095       7.896227 
1 1 1 -25 18 15 o 12.90266 5.845922  ?              ?        
1 1 1 -25 19 3  o 15.93877 4.493479  3.040001       8.986959 
1 1 1 -25 19 4  o 13.94002 4.217681  0.6722069      8.435362 
1 1 1 -25 19 5  o 13.69072 4.181125  2.438720       8.362249 
1 1 1 -25 19 6  o 12.77370 5.551036  ?              ?        
1 1 1 -25 19 7  o 15.03778 4.430225  5.628895       8.860450 
1 1 1 -25 19 8  o 12.61960 3.774482  -8.842413      7.548965 
1 1 1 -25 19 9  o 18.74663 4.574359  -3.407625      9.148718 
1 1 1 -25 19 10 o 14.01144 4.055977  -6.541082      8.111954 
1 1 1 -25 19 11 o 13.73457 4.164332  -5.410946      8.328665 
1 1 1 -24 0  1  o 134.1626 2.977874  -0.000000      0.000000 
1 1 1 -24 0  2  o 19.68447 8.275753  -0.000000      0.000000 
1 1 1 -24 0  3  x ?        ?         ?              ?        
1 1 1 -24 0  4  o 20.09882 8.305074  -0.000000      0.000000 
1 1 1 -24 0  5  o 27.34784 6.494140  -0.000000      0.000000 
1 1 1 -24 0  6  o 51.78271 3.790120  -0.000000      0.000000 
1 1 1 -24 0  7  f 11.13285 6.925122  0.000000       0.000000 
1 1 1 -24 0  8  o 53.87214 3.479546  0.000000       0.000000 
1 1 1 -24 0  9  o 41.14128 4.158813  -0.000000      0.000000 
1 1 1 -24 0  10 o 20.31883 7.777925  0.000000       0.000000 
1 1 1 -24 0  11 o 80.80501 2.958693  0.000000       0.000000 
1 1 1 -24 0  12 o 87.84304 4.316572  0.000000       0.000000 
1 1 1 -24 0  13 o 84.06848 2.986830  -0.000000      0.000000 
1 1 1 -24 0  14 o 56.98507 4.661961  0.000000       0.000000 
1 1 1 -24 0  15 o 16.26970 8.248429  -0.000000      0.000000 
1 1 1 -24 0  16 o 39.59777 4.634174  0.000000       0.000000 
1 1 1 -24 0  17 o 26.00879 7.854755  -0.000000      0.000000 
1 1 1 -24 0  18 o 101.8843 3.100506  0.000000       0.000000 
1 1 1 -24 0  19 o 55.35429 3.795158  0.000000       0.000000 
1 1 1 -24 0  20 o 10.16108 6.732459  0.000000       0.000000 
1 1 1 -24 0  21 o 11.37510 7.176546  0.000000       0.000000 
1 1 1 -24 0  22 o 38.26831 7.213410  0.000000       0.000000 
1 1 1 -24 0  23 o 11.09978 6.914106  -0.000000      0.000000 
1 1 1 -24 0  24 o 9.644388 6.323594  -0.000000      0.000000 
1 1 1 -24 0  25 o 9.646242 6.338401  -0.000000      0.000000 
1 1 1 -24 0  26 f 15.93639 9.538697  -0.000000      0.000000 
1 1 1 -24 0  27 o 8.524123 6.158124  0.000000       0.000000 
1 1 1 -24 0  28 o 21.18079 10.85774  0.000000       0.000000 
1 1 1 -24 0  29 x ?        ?         ?              ?        
1 1 1 -24 0  30 x ?        ?         ?              ?        
1 1 1 -24 0  31 x ?        ?         ?              ?        
1 1 1 -24 1  1  o 46.07986 2.914687  -2.120167      5.829375 
1 1 1 -24 1  2  o 58.47688 2.408842  7.855164       4.817684 
1 1 1 -24 1  3  o 19.44653 5.462037  -1.764549      10.92407 
1 1 1 -24 1  4  o 60.74344 2.823272  3.855152       5.646544 
1 1 1 -24 1  5  o 81.53671 2.117648  9.864784       4.235297 
1 1 1 -24 1  6  o 105.9644 2.542622  -3.589699      5.085244 
1 1 1 -24 1  7  o 21.97357 4.429414  -5.924438      8.858828 
1 1 1 -24 1  8  o 40.98115 3.081496  -13.49557      6.162991 
1 1 1 -24 1  9  o 43.45464 2.754502  -4.132076      5.509004 
1 1 1 -24 1  10 f 45.81142 2.815109  0.5757065      5.630219 
1 1 1 -24 1  11 o 85.77390 2.085753  -1.514473      4.171505 
1 1 1 -24 1  12 o 61.68832 3.632473  -1.765381      7.264947 
1 1 1 -24 1  13 o 45.04876 3.005023  8.989006       6.010047 
1 1 1 -24 1  14 o 50.10608 3.672329  -2.912334      7.344658 
1 1 1 -24 1  15 o 74.85176 2.292052  1.111771       4.584105 
1 1 1 -24 1  16 o 31.75600 4.028533  8.461145       8.057067 
1 1 1 -24 1  17 o 56.69986 2.573031  -1.184784      5.146062 
1 1 1 -24 1  18 o 30.31606 4.350749  1.584047       8.701499 
1 1 1 -24 1  19 o 48.51479 2.950086  3.669895       5.900172 
1 1 1 -24 1  20 o 30.16874 5.703840  7.499510       11.40768 
1 1 1 -24 1  21 o 24.25945 5.355223  1.247700       10.71045 
1 1 1 -24 1  22 o 60.55634 3.298517  7.711372       6.597034 
1 1 1 -24 1  23 o 20.17607 4.650373  -7.400824      9.300745 
1 1 1 -24 1  24 o 14.95273 4.346109  -2.243156      8.692219 
1 1 1 -24 1  25 o 15.35124 4.369164  -1.327665      8.738328 
1 1 1 -24 1  26 o 23.44676 5.958884  1.154840       11.91777 
1 1 1 -24 1  27 o 28.39964 6.409157  5.104286       12.81831 
1 1 1 -24 1  28 o 53.24089 4.697429  -6.008427      9.394857 
1 1 1 -24 1  29 x ?        ?         ?              ?        
1 1 1 -24 1  30 x ?        ?         ?              ?        
1 1 1 -24 1  31 x ?        ?         ?              ?        
1 1 1 -24 2  1  o 73.31664 2.344526  -8.912064      4.689052 
1 1 1 -24 2  2  f 50.89245 2.770162  -5.507347      5.540324 
1 1 1 -24 2  3  o 28.54283 6.881057  ?              ?        
1 1 1 -24 2  4  o 30.15532 4.027368  0.3474426E-01  8.054735 
1 1 1 -24 2  5  o 74.99501 2.500631  1.040512       5.001262 
1 1 1 -24 2  6  o 102.5635 2.018379  3.683655       4.036758 
1 1 1 -24 2  7  o 89.33490 3.353756  ?              ?        
1 1 1 -24 2  8  o 50.64952 2.623892  -11.21944      5.247784 
1 1 1 -24 2  9  o 39.44593 3.090431  -2.510521      6.180861 
1 1 1 -24 2  10 o 39.44355 2.979277  2.385223       5.958554 
1 1 1 -24 2  11 o 28.83391 4.098670  -1.257378      8.197340 
1 1 1 -24 2  12 o 37.63285 4.857174  2.236629       9.714348 
1 1 1 -24 2  13 f 27.64230 4.340887  -2.646236      8.681774 
1 1 1 -24 2  14 o 21.37235 5.535937  8.170773       11.07187 
1 1 1 -24 2  15 o 36.24464 3.508624  2.794178       7.017249 
1 1 1 -24 2  16 o 81.75403 2.294807  -8.841820      4.589613 
1 1 1 -24 2  17 o 49.42568 2.958907  -2.603405      5.917814 
1 1 1 -24 2  18 o 25.52749 4.772164  2.258751       9.544328 
1 1 1 -24 2  19 o 20.10173 4.899693  2.836418       9.799385 
1 1 1 -24 2  20 o 43.97198 5.415595  -2.498047      10.83119 
1 1 1 -24 2  21 o 38.19889 5.143077  -3.953743      10.28615 
1 1 1 -24 2  22 o 31.71089 5.016666  -10.67802      10.03333 
1 1 1 -24 2  23 o 18.09629 4.702866  7.120810       9.405732 
1 1 1 -24 2  24 o 14.12960 4.183470  -2.597849      8.366940 
1 1 1 -24 2  25 o 31.39000 3.834856  6.611374       7.669712 
1 1 1 -24 2  26 o 20.81251 5.811587  -2.473026      11.62317 
1 1 1 -24 2  27 o 27.11421 5.967201  -4.360920      11.93440 
1 1 1 -24 2  28 o 18.18540 5.323089  -10.53949      10.64618 
1 1 1 -24 2  29 x ?        ?         ?              ?        
1 1 1 -24 2  30 x ?        ?         ?              ?        
1 1 1 -24 2  31 x ?        ?         ?              ?        
1 1 1 -24 3  1  o 33.91850 3.748757  3.391056       7.497515 
1 1 1 -24 3  2  o 51.52401 2.807787  -4.916786      5.615575 
1 1 1 -24 3  3  o 63.24535 3.730330  -17.45618      7.460660 
1 1 1 -24 3  4  o 19.15854 4.677863  4.279936       9.355726 
1 1 1 -24 3  5  o 70.02798 2.663612  -3.771454      5.327223 
1 1 1 -24 3  6  o 71.18092 2.272990  -3.149971      4.545981 
1 1 1 -24 3  7  o 55.76723 2.564676  0.3638382      5.129351 
1 1 1 -24 3  8  o 40.08426 3.092813  ?              ?        
1 1 1 -24 3  9  o 96.30498 2.058680  -5.490692      4.117361 
1 1 1 -24 3  10 o 68.65817 2.263333  3.046242       4.526667 
1 1 1 -24 3  11 o 39.81395 3.583614  -7.952171      7.167229 
1 1 1 -24 3  12 o 25.29250 5.027185  13.00040       10.05437 
1 1 1 -24 3  13 o 28.16253 4.498957  3.967169       8.997913 
1 1 1 -24 3  14 o 21.10962 5.357472  2.206329       10.71494 
1 1 1 -24 3  15 o 70.77271 2.422925  4.817841       4.845851 
1 1 1 -24 3  16 o 39.14979 3.763483  -6.955353      7.526967 
1 1 1 -24 3  17 o 30.94070 4.366397  9.726940       8.732795 
1 1 1 -24 3  18 o 39.40455 3.590223  -2.828674      7.180446 
1 1 1 -24 3  19 o 20.99134 4.960924  6.945690       9.921847 
1 1 1 -24 3  20 o 21.11503 5.826951  -0.1171227     11.65390 
1 1 1 -24 3  21 o 25.88433 5.864367  3.922943       11.72873 
1 1 1 -24 3  22 o 35.33829 4.748646  8.934299       9.497292 
1 1 1 -24 3  23 o 17.60508 4.649277  1.103971       9.298554 
1 1 1 -24 3  24 o 25.03267 4.260909  -9.443996      8.521817 
1 1 1 -24 3  25 o 22.40925 4.265664  -10.77938      8.531327 
1 1 1 -24 3  26 o 31.24228 5.821577  -9.547646      11.64315 
1 1 1 -24 3  27 o 31.64717 5.252389  -23.70820      10.50478 
1 1 1 -24 3  28 o 22.08113 5.977988  -0.2690449     11.95598 
1 1 1 -24 3  29 x ?        ?         ?              ?        
1 1 1 -24 3  30 x ?        ?         ?              ?        
1 1 1 -24 3  31 x ?        ?         ?              ?        
1 1 1 -24 4  1  o 34.52566 3.806157  2.319603       7.612315 
1 1 1 -24 4  2  o 47.44315 3.985133  -12.65028      7.970267 
1 1 1 -24 4  3  o 59.81197 2.879619  -9.243416      5.759237 
1 1 1 -24 4  4  o 19.60316 5.013272  4.731833       10.02654 
1 1 1 -24 4  5  o 64.31510 3.643707  -6.276524      7.287413 
1 1 1 -24 4  6  o 14.91710 4.403854  5.525592       8.807709 
1 1 1 -24 4  7  o 34.56192 3.997046  -6.482809      7.994092 
1 1 1 -24 4  8  o 96.49180 2.142510  -3.731079      4.285019 
1 1 1 -24 4  9  o 132.4862 2.129232  -2.484589      4.258465 
1 1 1 -24 4  10 o 88.92263 2.241776  -2.251907      4.483552 
1 1 1 -24 4  11 o 66.76843 3.104232  5.099197       6.208463 
1 1 1 -24 4  12 o 44.29900 3.602654  2.133778       7.205307 
1 1 1 -24 4  13 o 79.98571 2.464400  -0.2380371E-02 4.928799 
1 1 1 -24 4  14 o 53.34140 3.304493  -22.83475      6.608986 
1 1 1 -24 4  15 o 28.64715 4.504427  -4.653893      9.008854 
1 1 1 -24 4  16 o 41.94106 3.918871  -11.14705      7.837742 
1 1 1 -24 4  17 o 55.25719 2.932486  4.339638       5.864971 
1 1 1 -24 4  18 o 18.90170 4.947435  0.3747635      9.894871 
1 1 1 -24 4  19 o 22.55859 4.661814  18.76696       9.323628 
1 1 1 -24 4  20 o 49.02734 3.646856  3.773403       7.293713 
1 1 1 -24 4  21 o 39.83910 5.045774  7.507313       10.09155 
1 1 1 -24 4  22 o 17.36233 4.773943  3.487727       9.547886 
1 1 1 -24 4  23 o 48.13291 2.969271  1.564926       5.938543 
1 1 1 -24 4  24 o 17.40445 4.626366  5.370170       9.252731 
1 1 1 -24 4  25 f 22.60012 4.562037  -6.536695      9.124074 
1 1 1 -24 4  26 o 32.41853 5.215315  -22.80359      10.43063 
1 1 1 -24 4  27 o 20.50732 5.598330  -10.96013      11.19666 
1 1 1 -24 4  28 o 29.68488 5.840612  -13.12940      11.68122 
1 1 1 -24 4  29 x ?        ?         ?              ?        
1 1 1 -24 4  30 x ?        ?         ?              ?        
1 1 1 -24 5  1  f 78.39830 2.887331  -4.299385      5.774662 
1 1 1 -24 5  2  o 65.02003 2.973576  -25.24032      5.947153 
1 1 1 -24 5  3  o 69.49397 2.745192  -10.29984      5.490385 
1 1 1 -24 5  4  o 55.71631 2.917065  -15.73822      5.834130 
1 1 1 -24 5  5  o 52.53576 4.036500  9.481346       8.073000 
1 1 1 -24 5  6  o 104.1461 2.239430  -20.75401      4.478859 
1 1 1 -24 5  7  o 120.1502 2.185318  -2.835472      4.370637 
1 1 1 -24 5  8  o 86.42632 2.388202  -12.09890      4.776405 
1 1 1 -24 5  9  o 40.96358 3.961431  -8.149323      7.922862 
1 1 1 -24 5  10 o 52.38248 2.900294  -2.159119      5.800589 
1 1 1 -24 5  11 o 25.15701 5.598688  -0.1889420E-01 11.19738 
1 1 1 -24 5  12 o 48.05930 3.003112  6.941517       6.006224 
1 1 1 -24 5  13 o 52.56306 4.562543  -11.40129      9.125086 
1 1 1 -24 5  14 o 72.24904 2.608730  -10.97060      5.217459 
1 1 1 -24 5  15 o 47.25510 4.013305  -22.53599      8.026610 
1 1 1 -24 5  16 o 68.43243 2.722168  -5.167084      5.444336 
1 1 1 -24 5  17 o 23.24828 5.760667  ?              ?        
1 1 1 -24 5  18 o 14.18021 4.297545  -2.256027      8.595090 
1 1 1 -24 5  19 o 35.51005 5.278824  -10.44644      10.55765 
1 1 1 -24 5  20 o 12.84250 4.130799  0.8719292      8.261599 
1 1 1 -24 5  21 o 28.34228 4.736145  -20.33963      9.472291 
1 1 1 -24 5  22 o 44.94812 3.171962  1.784195       6.343923 
1 1 1 -24 5  23 o 17.95845 4.856013  3.651474       9.712026 
1 1 1 -24 5  24 o 19.78610 4.562088  -7.505224      9.124175 
1 1 1 -24 5  25 o 18.65771 4.960383  5.219362       9.920766 
1 1 1 -24 5  26 o 26.69016 5.866494  -11.57587      11.73299 
1 1 1 -24 5  27 o 16.46301 5.074287  -10.09730      10.14857 
1 1 1 -24 5  28 x ?        ?         ?              ?        
1 1 1 -24 5  29 x ?        ?         ?              ?        
1 1 1 -24 5  30 x ?        ?         ?              ?        
1 1 1 -24 6  1  o 175.7674 2.466578  -11.45523      4.933156 
1 1 1 -24 6  2  o 66.82571 2.826253  2.575142       5.652505 
1 1 1 -24 6  3  o 48.18255 3.238796  14.08145       6.477592 
1 1 1 -24 6  4  o 67.14049 3.930427  -0.8472290     7.860854 
1 1 1 -24 6  5  o 24.24421 4.350225  -9.753384      8.700451 
1 1 1 -24 6  6  o 89.60715 2.351566  2.465637       4.703132 
1 1 1 -24 6  7  o 51.83720 2.932281  -1.857544      5.864563 
1 1 1 -24 6  8  o 76.99315 2.499532  -4.639008      4.999064 
1 1 1 -24 6  9  f 30.61224 4.562400  -11.25037      9.124800 
1 1 1 -24 6  10 o 31.00629 4.900062  -3.938011      9.800123 
1 1 1 -24 6  11 o 43.11625 4.070234  -12.17119      8.140469 
1 1 1 -24 6  12 o 53.70256 3.522731  -14.56934      7.045462 
1 1 1 -24 6  13 o 31.78591 5.536691  1.335833       11.07338 
1 1 1 -24 6  14 o 41.36874 3.638460  3.955044       7.276921 
1 1 1 -24 6  15 o 75.10017 2.605952  -5.259697      5.211904 
1 1 1 -24 6  16 f 54.46524 3.335202  -9.694897      6.670404 
1 1 1 -24 6  17 o 31.67748 4.616344  -7.285416      9.232688 
1 1 1 -24 6  18 o 32.09978 4.526043  -13.18958      9.052086 
1 1 1 -24 6  19 f 17.42496 5.456797  5.596360       10.91359 
1 1 1 -24 6  20 o 24.07748 4.388747  -14.57767      8.777493 
1 1 1 -24 6  21 o 51.51600 4.716592  -15.34664      9.433185 
1 1 1 -24 6  22 o 45.11563 5.567886  -21.20222      11.13577 
1 1 1 -24 6  23 o 39.07084 4.034402  -11.83800      8.068805 
1 1 1 -24 6  24 o 34.13683 4.133261  -19.18521      8.266522 
1 1 1 -24 6  25 o 25.20049 4.331071  -19.44974      8.662142 
1 1 1 -24 6  26 o 11.63528 4.044551  -2.757394      8.089103 
1 1 1 -24 6  27 o 17.82024 5.292805  -8.430747      10.58561 
1 1 1 -24 6  28 x ?        ?         ?              ?        
1 1 1 -24 6  29 x ?        ?         ?              ?        
1 1 1 -24 6  30 x ?        ?         ?              ?        
1 1 1 -24 7  1  o 42.37076 4.869632  -2.801117      9.739264 
1 1 1 -24 7  2  o 27.22942 5.819335  16.56341       11.63867 
1 1 1 -24 7  3  o 30.88740 4.729184  -11.66629      9.458368 
1 1 1 -24 7  4  o 20.33090 4.872804  18.29104       9.745607 
1 1 1 -24 7  5  o 42.19227 4.234588  -10.85593      8.469175 
1 1 1 -24 7  6  o 25.95345 4.179562  -17.73373      8.359124 
1 1 1 -24 7  7  o 52.29640 3.259714  -8.696304      6.519428 
1 1 1 -24 7  8  o 77.24289 2.600271  -10.47847      5.200541 
1 1 1 -24 7  9  o 21.79037 5.667988  12.76481       11.33598 
1 1 1 -24 7  10 o 65.75468 3.058494  -11.27211      6.116987 
1 1 1 -24 7  11 o 77.40672 2.934349  -14.23635      5.868698 
1 1 1 -24 7  12 o 24.95934 5.469573  -1.827963      10.93915 
1 1 1 -24 7  13 o 33.43258 4.622928  -7.555487      9.245855 
1 1 1 -24 7  14 o 19.23545 4.536621  -6.089102      9.073242 
1 1 1 -24 7  15 o 17.60435 4.735750  -1.481398      9.471499 
1 1 1 -24 7  16 o 61.61436 3.163018  -14.53968      6.326037 
1 1 1 -24 7  17 o 15.72766 4.633046  -1.519661      9.266091 
1 1 1 -24 7  18 o 45.22328 5.055600  -15.29623      10.11120 
1 1 1 -24 7  19 o 45.61578 4.140209  -3.992470      8.280418 
1 1 1 -24 7  20 o 29.80878 5.246616  -17.33136      10.49323 
1 1 1 -24 7  21 o 30.52148 4.495650  -2.276628      8.991301 
1 1 1 -24 7  22 o 60.41096 4.679336  -30.42645      9.358672 
1 1 1 -24 7  23 o 60.27882 2.855001  -18.20593      5.710002 
1 1 1 -24 7  24 o 20.72072 4.910450  -7.872791      9.820901 
1 1 1 -24 7  25 o 19.27769 7.751304  ?              ?        
1 1 1 -24 7  26 o 20.68231 5.708431  0.2064857      11.41686 
1 1 1 -24 7  27 o 15.72093 6.761673  ?              ?        
1 1 1 -24 7  28 x ?        ?         ?              ?        
1 1 1 -24 7  29 x ?        ?         ?              ?        
1 1 1 -24 8  1  o 23.32998 9.119478  ?              ?        
1 1 1 -24 8  2  o 47.90205 4.040373  -4.298237      8.080746 
1 1 1 -24 8  3  o 33.90034 3.796301  ?              ?        
1 1 1 -24 8  4  o 51.49416 3.974340  ?              ?        
1 1 1 -24 8  5  o 55.07387 3.387680  -4.736534      6.775360 
1 1 1 -24 8  6  o 84.19865 2.765079  -6.968994      5.530158 
1 1 1 -24 8  7  o 56.64484 3.600395  -18.49512      7.200790 
1 1 1 -24 8  8  o 22.52969 5.454895  0.5693378      10.90979 
1 1 1 -24 8  9  o 28.52140 4.582457  -15.54634      9.164914 
1 1 1 -24 8  10 o 51.89712 3.821186  -9.276356      7.642372 
1 1 1 -24 8  11 o 64.42808 2.951200  -6.264851      5.902400 
1 1 1 -24 8  12 o 21.31372 5.480847  3.636518       10.96169 
1 1 1 -24 8  13 o 42.73905 4.076082  -2.694958      8.152164 
1 1 1 -24 8  14 o 15.08515 4.670596  6.828436       9.341192 
1 1 1 -24 8  15 o 20.76975 8.369349  ?              ?        
1 1 1 -24 8  16 o 20.06233 5.128002  2.841919       10.25600 
1 1 1 -24 8  17 f 31.89907 4.650181  -0.5828667E-01 9.300363 
1 1 1 -24 8  18 o 47.38196 3.969194  -8.856998      7.938388 
1 1 1 -24 8  19 o 26.49191 4.909885  -5.420618      9.819770 
1 1 1 -24 8  20 o 16.25340 5.182970  9.425740       10.36594 
1 1 1 -24 8  21 o 17.86489 4.827025  -1.021753      9.654051 
1 1 1 -24 8  22 o 24.79829 5.790434  -8.062727      11.58087 
1 1 1 -24 8  23 o 20.91906 4.768466  -9.260498      9.536932 
1 1 1 -24 8  24 o 16.40312 4.672857  7.274850       9.345714 
1 1 1 -24 8  25 o 15.29661 4.889330  -0.1260014     9.778660 
1 1 1 -24 8  26 o 23.27107 5.598030  -16.10916      11.19606 
1 1 1 -24 8  27 x ?        ?         ?              ?        
1 1 1 -24 8  28 x ?        ?         ?              ?        
1 1 1 -24 8  29 x ?        ?         ?              ?        
1 1 1 -24 9  1  o 38.06337 5.089631  -15.39412      10.17926 
1 1 1 -24 9  2  o 78.91352 2.602062  ?              ?        
1 1 1 -24 9  3  o 20.74916 5.477088  13.63256       10.95418 
1 1 1 -24 9  4  o 50.01598 4.511156  ?              ?        
1 1 1 -24 9  5  o 38.32585 5.400178  -3.655949      10.80036 
1 1 1 -24 9  6  o 24.28887 5.156096  1.314663       10.31219 
1 1 1 -24 9  7  o 30.66535 5.135622  -14.23008      10.27124 
1 1 1 -24 9  8  o 46.06349 3.699571  10.56064       7.399142 
1 1 1 -24 9  9  o 66.33102 3.603042  -16.50567      7.206084 
1 1 1 -24 9  10 o 29.22412 4.955077  -12.98195      9.910154 
1 1 1 -24 9  11 o 99.56015 3.768202  -16.65067      7.536404 
1 1 1 -24 9  12 o 65.40582 2.999469  -5.159576      5.998937 
1 1 1 -24 9  13 o 55.07098 3.491028  -17.10293      6.982056 
1 1 1 -24 9  14 o 43.97362 3.581415  5.412594       7.162830 
1 1 1 -24 9  15 o 41.85017 4.453600  -12.79355      8.907200 
1 1 1 -24 9  16 o 44.41311 3.629954  -0.1279678     7.259909 
1 1 1 -24 9  17 o 26.49913 4.663605  -16.62152      9.327209 
1 1 1 -24 9  18 o 26.17283 4.923553  -5.723135      9.847107 
1 1 1 -24 9  19 o 22.51290 6.229618  2.886511       12.45924 
1 1 1 -24 9  20 o 13.38494 4.290009  4.018723       8.580019 
1 1 1 -24 9  21 o 11.01219 3.693230  -0.8303699     7.386459 
1 1 1 -24 9  22 o 21.43607 6.577241  ?              ?        
1 1 1 -24 9  23 o 26.40031 4.568511  -3.013680      9.137021 
1 1 1 -24 9  24 o 18.76461 4.516253  -11.01491      9.032506 
1 1 1 -24 9  25 o 28.33006 5.334136  -22.45058      10.66827 
1 1 1 -24 9  26 o 15.85079 6.734996  ?              ?        
1 1 1 -24 9  27 x ?        ?         ?              ?        
1 1 1 -24 9  28 x ?        ?         ?              ?        
1 1 1 -24 10 1  x ?        ?         ?              ?        
1 1 1 -24 10 2  o 33.73361 5.121829  20.14333       10.24366 
1 1 1 -24 10 3  o 71.78925 3.349300  -8.235054      6.698601 
1 1 1 -24 10 4  o 64.28154 3.714128  2.329967       7.428255 
1 1 1 -24 10 5  o 27.63496 5.234696  -8.635811      10.46939 
1 1 1 -24 10 6  o 70.67609 3.739209  -6.521698      7.478418 
1 1 1 -24 10 7  o 83.13725 3.560678  -3.331673      7.121356 
1 1 1 -24 10 8  o 72.38330 5.141139  ?              ?        
1 1 1 -24 10 9  o 61.07834 3.309546  -10.40884      6.619091 
1 1 1 -24 10 10 o 66.87888 4.526225  -0.9300613     9.052450 
1 1 1 -24 10 11 o 32.76197 4.648643  -25.00633      9.297286 
1 1 1 -24 10 12 o 22.06121 5.268708  0.4009247E-01  10.53742 
1 1 1 -24 10 13 o 19.69538 5.193120  3.445290       10.38624 
1 1 1 -24 10 14 o 23.02353 5.295468  2.175831       10.59094 
1 1 1 -24 10 15 o 17.91837 4.537679  -7.402818      9.075358 
1 1 1 -24 10 16 o 24.75297 5.870952  11.42303       11.74190 
1 1 1 -24 10 17 o 11.56518 3.947698  2.449841       7.895396 
1 1 1 -24 10 18 o 18.41673 5.080564  6.405676       10.16113 
1 1 1 -24 10 19 o 27.86051 4.682707  -9.312531      9.365415 
1 1 1 -24 10 20 o 17.43637 4.821775  9.762904       9.643550 
1 1 1 -24 10 21 o 32.19769 4.232228  -16.70158      8.464457 
1 1 1 -24 10 22 f 28.18984 4.456228  -3.089531      8.912457 
1 1 1 -24 10 23 o 29.29201 3.960713  -27.17662      7.921426 
1 1 1 -24 10 24 o 36.57806 5.155746  -20.72507      10.31149 
1 1 1 -24 10 25 o 18.41375 5.436859  -6.479105      10.87372 
1 1 1 -24 10 26 x ?        ?         ?              ?        
1 1 1 -24 10 27 x ?        ?         ?              ?        
1 1 1 -24 10 28 x ?        ?         ?              ?        
1 1 1 -24 11 1  o 20.90099 5.307003  -1.758215      10.61401 
1 1 1 -24 11 2  o 57.11438 4.208005  -1.614319      8.416011 
1 1 1 -24 11 3  o 21.15990 4.786853  -10.49963      9.573706 
1 1 1 -24 11 4  o 27.55770 5.634212  1.138258       11.26842 
1 1 1 -24 11 5  o 81.55684 3.430900  -4.821793      6.861800 
1 1 1 -24 11 6  o 19.20764 5.622084  10.98623       11.24417 
1 1 1 -24 11 7  o 19.92085 8.543775  ?              ?        
1 1 1 -24 11 8  o 77.63138 3.358474  10.52086       6.716949 
1 1 1 -24 11 9  o 20.99895 6.476930  ?              ?        
1 1 1 -24 11 10 o 29.28870 5.817555  4.707783       11.63511 
1 1 1 -24 11 11 o 21.37356 5.023385  -4.945227      10.04677 
1 1 1 -24 11 12 o 31.61111 4.971850  1.381952       9.943700 
1 1 1 -24 11 13 o 40.40657 4.213706  -5.585823      8.427413 
1 1 1 -24 11 14 o 13.17454 4.270370  -0.5034809     8.540741 
1 1 1 -24 11 15 o 26.51233 5.788905  ?              ?        
1 1 1 -24 11 16 o 34.48587 4.669550  -9.447710      9.339101 
1 1 1 -24 11 17 o 21.29421 5.408941  6.865479       10.81788 
1 1 1 -24 11 18 o 19.37546 5.007765  9.038342       10.01553 
1 1 1 -24 11 19 o 22.61709 4.739579  -5.324341      9.479157 
1 1 1 -24 11 20 o 24.02158 4.557031  -8.277731      9.114061 
1 1 1 -24 11 21 o 47.22737 3.875743  -39.34218      7.751485 
1 1 1 -24 11 22 o 18.64841 4.825882  -3.281500      9.651764 
1 1 1 -24 11 23 o 23.33849 5.376405  -21.25735      10.75281 
1 1 1 -24 11 24 o 21.46152 5.365502  -19.22301      10.73100 
1 1 1 -24 11 25 x ?        ?         ?              ?        
1 1 1 -24 11 26 x ?        ?         ?              ?        
1 1 1 -24 11 27 x ?        ?         ?              ?        
1 1 1 -24 12 1  o 12.94374 4.319542  4.459567       8.639085 
1 1 1 -24 12 2  o 39.39570 4.908037  -3.176941      9.816074 
1 1 1 -24 12 3  o 19.91549 5.515821  3.032719       11.03164 
1 1 1 -24 12 4  o 21.16395 4.773912  -11.02122      9.547824 
1 1 1 -24 12 5  o 18.76803 5.475276  10.19653       10.95055 
1 1 1 -24 12 6  o 37.43824 9.267171  ?              ?        
1 1 1 -24 12 7  o 57.65349 3.946270  -8.486389      7.892539 
1 1 1 -24 12 8  o 39.14532 4.522993  ?              ?        
1 1 1 -24 12 9  f 60.62035 3.902812  1.635578       7.805624 
1 1 1 -24 12 10 f 18.26530 4.958261  -4.428169      9.916521 
1 1 1 -24 12 11 o 36.81274 4.441761  1.300625       8.883521 
1 1 1 -24 12 12 o 25.85108 5.363036  -1.430258      10.72607 
1 1 1 -24 12 13 o 54.81119 3.391327  -19.35132      6.782655 
1 1 1 -24 12 14 o 45.58936 4.128294  6.873478       8.256588 
1 1 1 -24 12 15 o 27.48088 5.011673  -11.17711      10.02335 
1 1 1 -24 12 16 o 20.19014 5.176576  7.132429       10.35315 
1 1 1 -24 12 17 o 24.84192 5.352622  -6.663288      10.70524 
1 1 1 -24 12 18 o 14.38883 4.270550  7.505718       8.541100 
1 1 1 -24 12 19 o 17.22416 4.612639  -3.023149      9.225278 
1 1 1 -24 12 20 o 34.41468 3.917929  -24.28283      7.835858 
1 1 1 -24 12 21 o 23.56804 4.691867  -6.554842      9.383734 
1 1 1 -24 12 22 o 16.00745 4.709961  -1.285264      9.419922 
1 1 1 -24 12 23 o 21.79156 5.386139  7.808115       10.77228 
1 1 1 -24 12 24 x ?        ?         ?              ?        
1 1 1 -24 12 25 x ?        ?         ?              ?        
1 1 1 -24 12 26 x ?        ?         ?              ?        
1 1 1 -24 13 1  o 34.26969 4.614479  -25.73878      9.228957 
1 1 1 -24 13 2  o 20.64412 4.661906  -10.87274      9.323812 
1 1 1 -24 13 3  o 35.68649 4.983298  10.69489       9.966596 
1 1 1 -24 13 4  o 29.03922 9.521427  ?              ?        
1 1 1 -24 13 5  o 20.82389 7.626489  ?              ?        
1 1 1 -24 13 6  o 21.00893 5.652272  3.997557       11.30454 
1 1 1 -24 13 7  o 39.64291 4.471604  ?              ?        
1 1 1 -24 13 8  o 48.81343 4.127554  6.075874       8.255108 
1 1 1 -24 13 9  o 17.97996 5.120798  -1.309223      10.24160 
1 1 1 -24 13 10 o 14.95971 4.739703  0.8754950      9.479406 
1 1 1 -24 13 11 o 25.92975 5.149882  -6.696545      10.29976 
1 1 1 -24 13 12 o 28.02391 5.116840  -7.284437      10.23368 
1 1 1 -24 13 13 o 41.55541 4.353727  -0.6668930     8.707454 
1 1 1 -24 13 14 o 37.81047 4.905646  -32.39417      9.811292 
1 1 1 -24 13 15 o 22.03108 5.410095  4.611288       10.82019 
1 1 1 -24 13 16 o 27.50193 6.003857  11.06144       12.00771 
1 1 1 -24 13 17 o 27.31795 4.412055  -6.428900      8.824109 
1 1 1 -24 13 18 o 36.31031 3.981648  -29.06595      7.963296 
1 1 1 -24 13 19 o 13.15649 4.153656  1.008537       8.307311 
1 1 1 -24 13 20 o 14.01650 4.348396  -2.710697      8.696793 
1 1 1 -24 13 21 o 14.00663 4.254800  -5.528494      8.509600 
1 1 1 -24 13 22 o 26.98894 5.751202  -0.5444794     11.50240 
1 1 1 -24 13 23 o 16.37836 7.028841  ?              ?        
1 1 1 -24 13 24 x ?        ?         ?              ?        
1 1 1 -24 13 25 x ?        ?         ?              ?        
1 1 1 -24 14 1  o 54.66756 3.613725  -13.22120      7.227449 
1 1 1 -24 14 2  o 40.75431 4.638723  -6.103867      9.277447 
1 1 1 -24 14 3  o 18.37209 5.342111  7.554830       10.68422 
1 1 1 -24 14 4  o 15.28897 4.368473  -7.125270      8.736946 
1 1 1 -24 14 5  o 18.67557 6.592965  ?              ?        
1 1 1 -24 14 6  o 29.50639 5.355076  5.888006       10.71015 
1 1 1 -24 14 7  o 31.43239 5.118781  -4.921732      10.23756 
1 1 1 -24 14 8  f 30.30290 5.193743  0.2397747      10.38749 
1 1 1 -24 14 9  f 43.40499 4.803047  -17.25271      9.606093 
1 1 1 -24 14 10 o 38.78402 4.742427  -0.7381210     9.484854 
1 1 1 -24 14 11 o 19.53165 5.027604  -4.905470      10.05521 
1 1 1 -24 14 12 o 20.78302 5.139072  -5.232538      10.27814 
1 1 1 -24 14 13 o 25.69041 8.925485  ?              ?        
1 1 1 -24 14 14 o 37.90265 4.823514  -18.93278      9.647028 
1 1 1 -24 14 15 o 19.37407 4.878294  -6.689957      9.756589 
1 1 1 -24 14 16 o 13.34546 4.240335  4.388684       8.480669 
1 1 1 -24 14 17 o 15.71294 4.609488  -0.8887835     9.218975 
1 1 1 -24 14 18 o 16.60399 4.482961  -7.659100      8.965921 
1 1 1 -24 14 19 o 12.68584 4.034824  -0.3878307     8.069649 
1 1 1 -24 14 20 o 15.93456 4.700834  4.200139       9.401668 
1 1 1 -24 14 21 o 15.61866 4.897910  -3.849931      9.795819 
1 1 1 -24 14 22 o 22.48884 7.473855  ?              ?        
1 1 1 -24 14 23 x ?        ?         ?              ?        
1 1 1 -24 14 24 x ?        ?         ?              ?        
1 1 1 -24 15 1  o 25.11963 5.648595  -1.731686      11.29719 
1 1 1 -24 15 2  o 32.66266 4.562078  -4.038387      9.124155 
1 1 1 -24 15 3  o 34.21861 4.670124  -12.19291      9.340247 
1 1 1 -24 15 4  o 40.96785 4.305596  ?              ?        
1 1 1 -24 15 5  o 28.45552 5.363023  11.98802       10.72605 
1 1 1 -24 15 6  o 20.99051 5.368998  4.029100       10.73800 
1 1 1 -24 15 7  o 40.70536 4.284701  -3.577667      8.569403 
1 1 1 -24 15 8  f 30.14881 4.866057  -15.74857      9.732114 
1 1 1 -24 15 9  o 29.01538 4.664182  -17.23892      9.328363 
1 1 1 -24 15 10 o 13.84940 4.367172  -1.927296      8.734344 
1 1 1 -24 15 11 o 24.71288 5.658167  6.136042       11.31633 
1 1 1 -24 15 12 o 22.52884 5.346304  -13.26949      10.69261 
1 1 1 -24 15 13 o 11.05058 5.250543  ?              ?        
1 1 1 -24 15 14 o 26.16004 4.287097  -19.84308      8.574194 
1 1 1 -24 15 15 o 19.85546 5.172530  -0.1990738     10.34506 
1 1 1 -24 15 16 o 23.30383 5.110704  -2.364779      10.22141 
1 1 1 -24 15 17 o 32.76135 4.820789  -3.989368      9.641579 
1 1 1 -24 15 18 o 15.69007 4.494303  -4.981476      8.988605 
1 1 1 -24 15 19 o 12.49084 4.054032  -2.135176      8.108064 
1 1 1 -24 15 20 o 27.87783 5.869351  -9.142406      11.73870 
1 1 1 -24 15 21 x ?        ?         ?              ?        
1 1 1 -24 15 22 x ?        ?         ?              ?        
1 1 1 -24 15 23 x ?        ?         ?              ?        
1 1 1 -24 16 1  o 17.55710 4.728349  -0.1390438     9.456698 
1 1 1 -24 16 2  o 12.35050 5.516482  ?              ?        
1 1 1 -24 16 3  o 23.26405 5.287673  15.58825       10.57535 
1 1 1 -24 16 4  o 36.94213 3.988153  6.875843       7.976307 
1 1 1 -24 16 5  o 19.25492 4.608078  -7.413456      9.216156 
1 1 1 -24 16 6  o 22.68329 4.755095  -10.34164      9.510189 
1 1 1 -24 16 7  o 38.36205 3.996764  -4.823631      7.993528 
1 1 1 -24 16 8  o 36.32324 4.268112  -15.17373      8.536224 
1 1 1 -24 16 9  o 18.54167 4.709666  -5.321691      9.419332 
1 1 1 -24 16 10 o 32.49622 7.026163  ?              ?        
1 1 1 -24 16 11 o 30.35820 4.959402  6.007895       9.918803 
1 1 1 -24 16 12 o 45.72834 4.410981  ?              ?        
1 1 1 -24 16 13 o 39.82516 4.435831  -25.15843      8.871662 
1 1 1 -24 16 14 o 17.62924 4.402198  14.98332       8.804396 
1 1 1 -24 16 15 o 20.07026 4.754438  -3.836735      9.508877 
1 1 1 -24 16 16 o 21.90612 4.725110  -8.194118      9.450219 
1 1 1 -24 16 17 o 26.94375 4.735238  1.580751       9.470475 
1 1 1 -24 16 18 o 31.92150 4.373767  -19.90169      8.747534 
1 1 1 -24 16 19 o 18.86915 7.291390  ?              ?        
1 1 1 -24 16 20 x ?        ?         ?              ?        
1 1 1 -24 16 21 x ?        ?         ?              ?        
1 1 1 -24 16 22 x ?        ?         ?              ?        
1 1 1 -24 17 1  o 21.37720 4.660206  3.353371       9.320413 
1 1 1 -24 17 2  o 17.21185 4.352983  -5.705202      8.705966 
1 1 1 -24 17 3  o 22.21582 4.910947  5.008482       9.821894 
1 1 1 -24 17 4  o 15.87618 4.422877  -0.1421432     8.845755 
1 1 1 -24 17 5  o 15.06328 4.231068  -4.843499      8.462135 
1 1 1 -24 17 6  o 19.56167 7.776550  ?              ?        
1 1 1 -24 17 7  o 12.55857 3.988974  -3.086593      7.977947 
1 1 1 -24 17 8  o 18.78357 7.161140  ?              ?        
1 1 1 -24 17 9  o 32.78634 4.065195  1.473835       8.130390 
1 1 1 -24 17 10 o 14.46430 5.925185  ?              ?        
1 1 1 -24 17 11 o 12.15370 3.920955  1.754423       7.841910 
1 1 1 -24 17 12 o 28.81226 4.356186  -7.537386      8.712373 
1 1 1 -24 17 13 o 28.02966 3.904119  -26.12089      7.808238 
1 1 1 -24 17 14 o 21.74257 4.585227  -11.03862      9.170453 
1 1 1 -24 17 15 o 22.83961 4.997258  2.456106       9.994515 
1 1 1 -24 17 16 o 21.45195 4.851048  -1.736963      9.702095 
1 1 1 -24 17 17 o 14.82798 4.686265  0.3406277      9.372529 
1 1 1 -24 17 18 o 10.87966 5.204288  ?              ?        
1 1 1 -24 17 19 x ?        ?         ?              ?        
1 1 1 -24 17 20 x ?        ?         ?              ?        
1 1 1 -24 18 1  o 18.58043 4.120972  -11.33667      8.241943 
1 1 1 -24 18 2  o 15.23460 4.267790  6.286537       8.535581 
1 1 1 -24 18 3  o 17.76814 4.703249  3.674536       9.406499 
1 1 1 -24 18 4  o 15.77545 4.479897  3.208347       8.959795 
1 1 1 -24 18 5  o 17.02222 4.531296  9.279550       9.062592 
1 1 1 -24 18 6  f 27.59129 4.793340  12.17503       9.586680 
1 1 1 -24 18 7  o 23.10763 4.760686  0.1994839      9.521372 
1 1 1 -24 18 8  o 14.01715 4.244800  -1.902424      8.489599 
1 1 1 -24 18 9  o 11.66371 5.300564  ?              ?        
1 1 1 -24 18 10 o 19.91807 4.675080  -7.252457      9.350161 
1 1 1 -24 18 11 o 11.52522 3.741912  0.8260565      7.483823 
1 1 1 -24 18 12 o 18.11847 4.444201  -8.294867      8.888402 
1 1 1 -24 18 13 o 15.38321 4.434638  -2.815993      8.869276 
1 1 1 -24 18 14 o 13.90632 4.114180  8.452330       8.228360 
1 1 1 -24 18 15 o 19.25026 4.501546  -7.344827      9.003092 
1 1 1 -24 18 16 o 22.65843 7.087059  ?              ?        
1 1 1 -24 18 17 f 23.82500 7.609820  ?              ?        
1 1 1 -24 18 18 x ?        ?         ?              ?        
1 1 1 -24 19 1  f 19.13359 4.583850  5.108606       9.167701 
1 1 1 -24 19 2  o 13.09013 4.087669  -2.853151      8.175339 
1 1 1 -24 19 3  o 15.21148 4.461495  -0.3662786     8.922991 
1 1 1 -24 19 4  o 18.89424 5.245464  -6.970365      10.49093 
1 1 1 -24 19 5  o 14.58689 4.268252  -4.932659      8.536504 
1 1 1 -24 19 6  o 11.55021 3.777019  -0.1660805     7.554038 
1 1 1 -24 19 7  o 18.88680 6.220047  ?              ?        
1 1 1 -24 19 8  o 20.48125 4.663951  -0.3874645     9.327902 
1 1 1 -24 19 9  o 17.61481 4.501667  -0.2963486     9.003335 
1 1 1 -24 19 10 o 15.97220 4.466760  -0.6561737     8.933519 
1 1 1 -24 19 11 o 13.33937 4.154395  0.5707741E-02  8.308789 
1 1 1 -24 19 12 o 16.79056 4.502017  6.540835       9.004034 
1 1 1 -24 19 13 o 21.38464 4.622573  9.531342       9.245147 
1 1 1 -24 19 14 o 21.84279 5.473381  1.888803       10.94676 
1 1 1 -24 19 15 o 14.19372 6.239544  ?              ?        
1 1 1 -24 20 2  o 17.76092 5.135452  -4.920804      10.27090 
1 1 1 -24 20 3  o 11.39764 3.745394  2.585382       7.490789 
1 1 1 -24 20 4  o 12.39452 3.919388  6.389696       7.838776 
1 1 1 -24 20 5  o 13.99308 5.870196  ?              ?        
1 1 1 -24 20 6  o 11.37837 3.724698  2.416113       7.449396 
1 1 1 -24 20 7  o 23.21580 8.685213  ?              ?        
1 1 1 -24 20 8  o 15.31914 4.264791  -5.052711      8.529582 
1 1 1 -24 20 9  o 21.15951 4.680582  -3.112446      9.361164 
1 1 1 -24 20 10 o 23.62059 4.668611  -2.512232      9.337221 
1 1 1 -24 20 11 o 18.81584 4.511335  -7.336805      9.022670 
1 1 1 -23 0  1  o 76.61489 2.889030  -0.000000      0.000000 
1 1 1 -23 0  2  o 23.34459 7.014977  0.000000       0.000000 
1 1 1 -23 0  3  o 56.54609 3.222983  0.000000       0.000000 
1 1 1 -23 0  4  o 39.32330 4.159131  -0.000000      0.000000 
1 1 1 -23 0  5  o 71.08867 2.953038  0.000000       0.000000 
1 1 1 -23 0  6  o 11.44209 6.814231  0.000000       0.000000 
1 1 1 -23 0  7  o 62.11370 3.204457  -0.000000      0.000000 
1 1 1 -23 0  8  o 13.09154 7.245187  0.000000       0.000000 
1 1 1 -23 0  9  x ?        ?         ?              ?        
1 1 1 -23 0  10 o 85.48045 2.703110  0.000000       0.000000 
1 1 1 -23 0  11 o 41.66452 3.663902  0.000000       0.000000 
1 1 1 -23 0  12 f 6.789150 4.842190  -0.000000      0.000000 
1 1 1 -23 0  13 o 67.20940 4.956801  -0.000000      0.000000 
1 1 1 -23 0  14 o 42.36227 4.042293  -0.000000      0.000000 
1 1 1 -23 0  15 o 93.24487 3.876984  -0.000000      0.000000 
1 1 1 -23 0  16 o 39.36935 4.421979  0.000000       0.000000 
1 1 1 -23 0  17 o 43.42389 4.173815  -0.000000      0.000000 
1 1 1 -23 0  18 o 44.22569 4.180512  -0.000000      0.000000 
1 1 1 -23 0  19 o 39.38271 4.835097  0.000000       0.000000 
1 1 1 -23 0  20 o 12.42948 8.312372  0.000000       0.000000 
1 1 1 -23 0  21 o 21.99683 7.989290  0.000000       0.000000 
1 1 1 -23 0  22 o 9.693034 6.469595  0.000000       0.000000 
1 1 1 -23 0  23 o 60.06059 4.929763  0.000000       0.000000 
1 1 1 -23 0  24 o 10.86547 6.931979  -0.000000      0.000000 
1 1 1 -23 0  25 o 16.81644 9.440287  0.000000       0.000000 
1 1 1 -23 0  26 o 10.52550 7.321584  -0.000000      0.000000 
1 1 1 -23 0  27 o 16.27704 9.602484  0.000000       0.000000 
1 1 1 -23 0  28 o 14.83611 9.048845  -0.000000      0.000000 
1 1 1 -23 0  29 o 13.09515 8.345801  0.000000       0.000000 
1 1 1 -23 0  30 x ?        ?         ?              ?        
1 1 1 -23 0  31 x ?        ?         ?              ?        
1 1 1 -23 0  32 x ?        ?         ?              ?        
1 1 1 -23 1  1  o 48.16012 2.545310  1.887527       5.090620 
1 1 1 -23 1  2  o 12.69799 3.956611  1.202611       7.913221 
1 1 1 -23 1  3  o 64.13672 2.093864  3.393017       4.187729 
1 1 1 -23 1  4  o 14.13053 4.118841  1.740249       8.237682 
1 1 1 -23 1  5  o 31.83957 3.955602  11.41563       7.911203 
1 1 1 -23 1  6  o 84.44553 1.944030  2.942070       3.888060 
1 1 1 -23 1  7  o 74.50651 4.399828  ?              ?        
1 1 1 -23 1  8  o 46.53012 2.549578  -1.926624      5.099155 
1 1 1 -23 1  9  o 21.10573 3.823841  -11.49446      7.647681 
1 1 1 -23 1  10 o 60.87062 2.152998  10.61372       4.305996 
1 1 1 -23 1  11 o 32.75302 3.183109  4.068033       6.366218 
1 1 1 -23 1  12 o 93.16196 1.974037  6.395882       3.948075 
1 1 1 -23 1  13 o 102.8866 2.954624  -0.1842728     5.909249 
1 1 1 -23 1  14 o 86.40954 2.057917  4.550476       4.115834 
1 1 1 -23 1  15 o 67.05401 3.033181  -14.71701      6.066361 
1 1 1 -23 1  16 o 28.61931 4.104650  -13.76580      8.209301 
1 1 1 -23 1  17 o 15.38339 4.339763  -2.174785      8.679526 
1 1 1 -23 1  18 o 19.18478 4.765242  4.654799       9.530483 
1 1 1 -23 1  19 o 25.96833 4.524208  8.112225       9.048415 
1 1 1 -23 1  20 o 15.78539 4.990342  1.565971       9.980684 
1 1 1 -23 1  21 o 22.96668 4.780608  -7.267328      9.561215 
1 1 1 -23 1  22 o 61.15665 2.514408  -0.5517273     5.028817 
1 1 1 -23 1  23 o 18.12263 5.045875  -6.816643      10.09175 
1 1 1 -23 1  24 o 17.11021 4.632787  0.9577961      9.265574 
1 1 1 -23 1  25 o 19.04035 5.486999  0.1936760      10.97400 
1 1 1 -23 1  26 o 19.82980 5.350418  9.809019       10.70084 
1 1 1 -23 1  27 o 14.29844 4.724865  2.657379       9.449730 
1 1 1 -23 1  28 o 18.43068 5.551609  4.361595       11.10322 
1 1 1 -23 1  29 o 31.58271 6.053029  -10.94857      12.10606 
1 1 1 -23 1  30 x ?        ?         ?              ?        
1 1 1 -23 1  31 x ?        ?         ?              ?        
1 1 1 -23 1  32 x ?        ?         ?              ?        
1 1 1 -23 2  1  f 55.85808 2.386370  -2.038124      4.772741 
1 1 1 -23 2  2  o 54.25232 2.425777  -11.34681      4.851553 
1 1 1 -23 2  3  o 38.56772 2.763331  3.851173       5.526662 
1 1 1 -23 2  4  o 102.0816 2.448437  -6.309792      4.896874 
1 1 1 -23 2  5  o 44.24528 2.730447  -14.43419      5.460895 
1 1 1 -23 2  6  o 26.25020 4.352905  8.560162       8.705811 
1 1 1 -23 2  7  o 11.13283 3.652567  1.354257       7.305134 
1 1 1 -23 2  8  o 14.71091 4.186291  0.2435818      8.372581 
1 1 1 -23 2  9  o 48.75708 2.496959  -9.340878      4.993919 
1 1 1 -23 2  10 o 48.62429 2.608965  -9.379940      5.217931 
1 1 1 -23 2  11 o 16.73330 4.270502  -1.976275      8.541004 
1 1 1 -23 2  12 o 45.33287 2.715244  1.069183       5.430487 
1 1 1 -23 2  13 o 66.76081 3.412519  1.666107       6.825039 
1 1 1 -23 2  14 o 15.48111 3.944640  -8.569012      7.889281 
1 1 1 -23 2  15 o 47.83570 3.798443  3.416233       7.596886 
1 1 1 -23 2  16 o 40.39214 3.155627  14.66536       6.311254 
1 1 1 -23 2  17 o 53.66306 2.553770  0.9569397      5.107540 
1 1 1 -23 2  18 o 49.37299 2.788722  -1.775467      5.577444 
1 1 1 -23 2  19 o 26.27954 4.698664  8.831099       9.397327 
1 1 1 -23 2  20 o 17.66411 5.255038  -5.960042      10.51008 
1 1 1 -23 2  21 o 31.86800 5.686398  -14.22062      11.37280 
1 1 1 -23 2  22 o 27.52139 4.426872  -12.16628      8.853744 
1 1 1 -23 2  23 f 31.72524 5.129528  7.014925       10.25906 
1 1 1 -23 2  24 o 29.36500 4.358857  7.821739       8.717714 
1 1 1 -23 2  25 o 28.34871 5.748869  11.66431       11.49774 
1 1 1 -23 2  26 o 19.74016 5.702542  0.3257656      11.40508 
1 1 1 -23 2  27 o 40.57246 5.088432  -9.607410      10.17686 
1 1 1 -23 2  28 o 26.52205 5.963221  -5.401218      11.92644 
1 1 1 -23 2  29 o 26.15915 5.940425  10.94341       11.88085 
1 1 1 -23 2  30 x ?        ?         ?              ?        
1 1 1 -23 2  31 x ?        ?         ?              ?        
1 1 1 -23 2  32 x ?        ?         ?              ?        
1 1 1 -23 3  1  o 98.91335 2.055205  -13.56348      4.110409 
1 1 1 -23 3  2  o 133.6401 2.069466  -1.919128      4.138932 
1 1 1 -23 3  3  o 69.81412 2.214042  -10.35920      4.428084 
1 1 1 -23 3  4  o 39.24204 3.664936  10.95494       7.329871 
1 1 1 -23 3  5  o 83.19092 1.987398  -1.506187      3.974796 
1 1 1 -23 3  6  o 82.55202 2.912361  -0.5754318     5.824721 
1 1 1 -23 3  7  o 33.69086 3.897658  -21.54632      7.795316 
1 1 1 -23 3  8  o 96.03366 2.028602  -0.1228256     4.057204 
1 1 1 -23 3  9  o 138.2177 2.052901  -2.467957      4.105801 
1 1 1 -23 3  10 f 78.88679 2.096216  -3.115128      4.192433 
1 1 1 -23 3  11 o 52.34366 2.433733  -0.2004738     4.867465 
1 1 1 -23 3  12 o 76.89571 2.113258  -0.7935333E-01 4.226516 
1 1 1 -23 3  13 o 53.77596 3.738609  1.900673       7.477219 
1 1 1 -23 3  14 o 63.98013 2.301397  9.011250       4.602795 
1 1 1 -23 3  15 o 42.69038 4.198472  5.731266       8.396944 
1 1 1 -23 3  16 o 73.84117 2.298508  3.865974       4.597016 
1 1 1 -23 3  17 o 55.00326 2.592706  2.293625       5.185411 
1 1 1 -23 3  18 o 26.15484 4.644272  1.687025       9.288545 
1 1 1 -23 3  19 o 26.55622 4.694794  6.567677       9.389587 
1 1 1 -23 3  20 o 15.72803 4.916260  4.174505       9.832520 
1 1 1 -23 3  21 o 20.35613 5.789316  -0.3262405     11.57863 
1 1 1 -23 3  22 o 26.36864 4.545130  9.633539       9.090261 
1 1 1 -23 3  23 o 76.30104 3.286569  -6.190300      6.573139 
1 1 1 -23 3  24 o 48.02580 4.031523  -2.987755      8.063046 
1 1 1 -23 3  25 o 23.39631 5.326213  -15.47464      10.65243 
1 1 1 -23 3  26 o 13.25452 4.476930  -4.813444      8.953859 
1 1 1 -23 3  27 o 24.66381 5.938486  -4.190903      11.87697 
1 1 1 -23 3  28 o 28.30215 6.068145  1.210558       12.13629 
1 1 1 -23 3  29 o 18.56862 5.564075  0.3016109      11.12815 
1 1 1 -23 3  30 x ?        ?         ?              ?        
1 1 1 -23 3  31 x ?        ?         ?              ?        
1 1 1 -23 4  1  o 148.3306 2.943768  -17.86365      5.887535 
1 1 1 -23 4  2  o 53.87470 4.107777  -8.002644      8.215554 
1 1 1 -23 4  3  o 85.27481 2.749444  3.104347       5.498888 
1 1 1 -23 4  4  o 56.69662 2.629158  9.322971       5.258317 
1 1 1 -23 4  5  o 81.24100 2.325267  -4.558350      4.650534 
1 1 1 -23 4  6  o 46.68327 4.466543  -11.40473      8.933086 
1 1 1 -23 4  7  o 53.76031 2.637208  -11.14367      5.274417 
1 1 1 -23 4  8  o 48.85885 2.770678  -4.117447      5.541355 
1 1 1 -23 4  9  o 25.40079 4.211399  7.991913       8.422798 
1 1 1 -23 4  10 o 45.03333 2.766314  -0.6779251     5.532629 
1 1 1 -23 4  11 o 20.46915 4.016365  -8.490995      8.032730 
1 1 1 -23 4  12 o 41.55731 4.124059  2.976505       8.248118 
1 1 1 -23 4  13 o 27.16291 5.069990  -2.573175      10.13998 
1 1 1 -23 4  14 o 61.71790 2.750461  -3.434406      5.500923 
1 1 1 -23 4  15 o 22.53929 4.863133  8.284653       9.726266 
1 1 1 -23 4  16 o 36.54413 3.423639  3.391113       6.847278 
1 1 1 -23 4  17 o 17.44845 4.760062  8.426335       9.520124 
1 1 1 -23 4  18 o 16.41662 4.591381  -1.238938      9.182761 
1 1 1 -23 4  19 o 42.28692 3.438231  1.430733       6.876462 
1 1 1 -23 4  20 o 14.91146 4.514159  8.717625       9.028318 
1 1 1 -23 4  21 o 18.92609 5.662680  6.623515       11.32536 
1 1 1 -23 4  22 f 13.91581 4.334472  5.370552       8.668943 
1 1 1 -23 4  23 o 17.22604 4.793506  7.256660       9.587011 
1 1 1 -23 4  24 o 46.36159 4.250693  -12.82503      8.501387 
1 1 1 -23 4  25 o 27.48701 5.706905  16.58597       11.41381 
1 1 1 -23 4  26 o 19.48386 5.426422  8.857097       10.85284 
1 1 1 -23 4  27 o 14.91413 4.824551  -1.802188      9.649101 
1 1 1 -23 4  28 o 17.68969 5.279448  3.102919       10.55890 
1 1 1 -23 4  29 o 12.75936 4.376727  -0.8014202E-01 8.753453 
1 1 1 -23 4  30 x ?        ?         ?              ?        
1 1 1 -23 4  31 x ?        ?         ?              ?        
1 1 1 -23 5  1  o 77.24599 2.912935  -7.917091      5.825870 
1 1 1 -23 5  2  o 48.33170 3.141409  ?              ?        
1 1 1 -23 5  3  o 35.32367 4.131141  -12.13834      8.262281 
1 1 1 -23 5  4  o 14.26440 4.402924  5.421352       8.805848 
1 1 1 -23 5  5  o 86.79715 2.399657  -4.893227      4.799314 
1 1 1 -23 5  6  o 56.06386 2.704947  -6.039803      5.409894 
1 1 1 -23 5  7  o 79.94704 2.273014  -12.90921      4.546029 
1 1 1 -23 5  8  o 35.76905 3.783420  -6.986908      7.566840 
1 1 1 -23 5  9  o 43.38451 3.159267  -2.297207      6.318534 
1 1 1 -23 5  10 o 21.22650 4.315801  -5.595993      8.631601 
1 1 1 -23 5  11 o 37.50204 3.246192  5.220760       6.492384 
1 1 1 -23 5  12 o 31.45805 5.164277  1.737316       10.32855 
1 1 1 -23 5  13 o 35.71458 3.899644  -1.332851      7.799287 
1 1 1 -23 5  14 o 96.56741 3.210361  -8.748184      6.420723 
1 1 1 -23 5  15 o 65.28468 2.592746  -4.029064      5.185492 
1 1 1 -23 5  16 o 141.4074 2.264311  -4.449799      4.528622 
1 1 1 -23 5  17 o 24.42723 4.680180  -3.793293      9.360359 
1 1 1 -23 5  18 o 49.32299 3.321845  -1.977768      6.643690 
1 1 1 -23 5  19 o 26.48517 4.821345  -2.517885      9.642690 
1 1 1 -23 5  20 o 28.84108 5.678559  11.41967       11.35712 
1 1 1 -23 5  21 o 13.04625 4.276486  4.742365       8.552973 
1 1 1 -23 5  22 o 27.72135 5.684484  -2.442799      11.36897 
1 1 1 -23 5  23 o 40.05585 3.493904  -4.775230      6.987808 
1 1 1 -23 5  24 f 37.79107 4.903788  -21.81733      9.807575 
1 1 1 -23 5  25 o 22.83492 5.708891  11.93127       11.41778 
1 1 1 -23 5  26 o 16.25869 5.186705  2.859163       10.37341 
1 1 1 -23 5  27 o 16.48745 5.152331  5.536014       10.30466 
1 1 1 -23 5  28 o 20.36463 5.718193  -5.546167      11.43639 
1 1 1 -23 5  29 x ?        ?         ?              ?        
1 1 1 -23 5  30 x ?        ?         ?              ?        
1 1 1 -23 5  31 x ?        ?         ?              ?        
1 1 1 -23 6  1  o 75.21307 3.163628  -4.274155      6.327256 
1 1 1 -23 6  2  o 35.71785 4.538518  -11.91635      9.077037 
1 1 1 -23 6  3  o 50.55104 3.291553  -5.645557      6.583106 
1 1 1 -23 6  4  o 45.89531 3.380910  0.8190575      6.761821 
1 1 1 -23 6  5  o 48.31059 4.947762  -11.15385      9.895525 
1 1 1 -23 6  6  o 63.61382 2.754308  -9.395752      5.508615 
1 1 1 -23 6  7  o 81.16808 2.352894  3.528702       4.705787 
1 1 1 -23 6  8  o 16.03742 4.103981  -5.656767      8.207961 
1 1 1 -23 6  9  o 40.01155 3.384796  3.315105       6.769591 
1 1 1 -23 6  10 o 119.2305 2.172774  -5.411003      4.345548 
1 1 1 -23 6  11 o 117.2774 2.801503  -1.137718      5.603006 
1 1 1 -23 6  12 o 85.80455 2.646293  -7.211418      5.292586 
1 1 1 -23 6  13 o 83.04488 2.644507  5.624336       5.289015 
1 1 1 -23 6  14 o 94.45302 3.097275  1.053978       6.194551 
1 1 1 -23 6  15 o 117.8177 2.299277  -11.93491      4.598553 
1 1 1 -23 6  16 o 91.51256 2.405766  0.7689667E-01  4.811531 
1 1 1 -23 6  17 o 97.36084 2.471796  -4.261581      4.943591 
1 1 1 -23 6  18 o 62.80182 2.976269  -8.589985      5.952538 
1 1 1 -23 6  19 o 15.72304 4.444673  -3.673302      8.889346 
1 1 1 -23 6  20 f 35.89785 5.540751  -13.27175      11.08150 
1 1 1 -23 6  21 o 42.44320 3.821619  -9.193977      7.643238 
1 1 1 -23 6  22 o 61.81380 4.100530  -19.54390      8.201059 
1 1 1 -23 6  23 o 53.27309 3.070559  -12.38783      6.141118 
1 1 1 -23 6  24 o 18.12608 4.977708  -4.656365      9.955416 
1 1 1 -23 6  25 f 17.34708 5.244424  -2.033827      10.48885 
1 1 1 -23 6  26 o 20.75274 5.638095  -3.638073      11.27619 
1 1 1 -23 6  27 o 18.03906 5.320107  -0.4112301     10.64021 
1 1 1 -23 6  28 o 30.40609 5.343603  -22.70250      10.68721 
1 1 1 -23 6  29 x ?        ?         ?              ?        
1 1 1 -23 6  30 x ?        ?         ?              ?        
1 1 1 -23 6  31 x ?        ?         ?              ?        
1 1 1 -23 7  1  o 81.54459 3.208600  -6.262848      6.417200 
1 1 1 -23 7  2  o 108.7835 3.030695  -5.636154      6.061390 
1 1 1 -23 7  3  o 25.79776 5.145959  -5.294271      10.29192 
1 1 1 -23 7  4  o 48.37759 3.225179  -1.881706      6.450358 
1 1 1 -23 7  5  o 16.21747 4.634693  2.460312       9.269386 
1 1 1 -23 7  6  o 16.85016 4.276911  -5.478570      8.553823 
1 1 1 -23 7  7  o 56.60324 2.461389  ?              ?        
1 1 1 -23 7  8  o 113.7506 2.339377  4.023430       4.678754 
1 1 1 -23 7  9  o 76.31040 2.573072  -5.939468      5.146144 
1 1 1 -23 7  10 o 51.87563 4.124268  -5.634052      8.248536 
1 1 1 -23 7  11 o 20.72451 5.039780  15.74638       10.07956 
1 1 1 -23 7  12 o 86.10316 2.490520  3.387161       4.981039 
1 1 1 -23 7  13 o 96.76137 3.409285  -11.85833      6.818570 
1 1 1 -23 7  14 o 46.22407 3.959677  -16.30234      7.919355 
1 1 1 -23 7  15 o 34.14693 4.543948  -1.359665      9.087895 
1 1 1 -23 7  16 o 36.10037 4.604572  -11.76796      9.209145 
1 1 1 -23 7  17 o 12.55608 4.038537  -0.3113842E-01 8.077073 
1 1 1 -23 7  18 o 52.89822 3.290338  -6.235905      6.580677 
1 1 1 -23 7  19 o 110.0773 3.128822  -8.711388      6.257644 
1 1 1 -23 7  20 o 80.07539 2.966471  -21.22396      5.932942 
1 1 1 -23 7  21 o 70.50783 3.426436  -23.42794      6.852873 
1 1 1 -23 7  22 o 48.44231 3.296885  -1.883724      6.593770 
1 1 1 -23 7  23 o 16.30681 4.603727  -4.557097      9.207454 
1 1 1 -23 7  24 o 18.71156 4.593734  -10.28514      9.187468 
1 1 1 -23 7  25 o 32.02178 5.264829  -22.85553      10.52966 
1 1 1 -23 7  26 o 25.56493 5.643245  -19.61423      11.28649 
1 1 1 -23 7  27 f 18.32669 5.399811  2.563444       10.79962 
1 1 1 -23 7  28 o 16.53308 7.037186  ?              ?        
1 1 1 -23 7  29 x ?        ?         ?              ?        
1 1 1 -23 7  30 x ?        ?         ?              ?        
1 1 1 -23 8  1  o 20.67679 5.131938  -6.296993      10.26388 
1 1 1 -23 8  2  o 45.12627 4.348262  12.12653       8.696525 
1 1 1 -23 8  3  o 70.19447 3.193360  9.353363       6.386721 
1 1 1 -23 8  4  o 18.90910 5.873645  ?              ?        
1 1 1 -23 8  5  o 17.18357 4.442835  -5.625653      8.885670 
1 1 1 -23 8  6  o 64.18494 2.980729  0.6391983      5.961458 
1 1 1 -23 8  7  o 54.69670 2.996854  8.268410       5.993709 
1 1 1 -23 8  8  o 71.49533 2.852142  -11.75027      5.704285 
1 1 1 -23 8  9  o 36.80785 4.486889  -10.42047      8.973779 
1 1 1 -23 8  10 o 30.88581 4.587040  -0.2927647     9.174080 
1 1 1 -23 8  11 o 21.84097 5.450344  1.945929       10.90069 
1 1 1 -23 8  12 o 58.12068 3.576004  -4.077099      7.152007 
1 1 1 -23 8  13 o 22.51574 5.018260  -4.082983      10.03652 
1 1 1 -23 8  14 o 27.01953 4.897740  -5.405144      9.795480 
1 1 1 -23 8  15 o 43.27171 3.876708  2.436874       7.753416 
1 1 1 -23 8  16 o 69.02261 2.830617  1.592903       5.661235 
1 1 1 -23 8  17 o 26.69831 4.948734  19.58289       9.897468 
1 1 1 -23 8  18 o 77.40373 2.784752  -4.447227      5.569503 
1 1 1 -23 8  19 o 53.76662 4.707347  -13.06467      9.414694 
1 1 1 -23 8  20 o 26.39923 4.600779  -11.92789      9.201557 
1 1 1 -23 8  21 o 55.90820 4.321742  -2.579567      8.643484 
1 1 1 -23 8  22 f 67.30688 2.854945  -15.79050      5.709891 
1 1 1 -23 8  23 o 38.16618 4.022722  -13.49715      8.045444 
1 1 1 -23 8  24 o 27.24682 4.097399  -24.55861      8.194798 
1 1 1 -23 8  25 o 28.13351 6.111198  -5.711653      12.22240 
1 1 1 -23 8  26 o 25.27368 5.840535  -10.07876      11.68107 
1 1 1 -23 8  27 o 18.87550 5.497175  1.526098       10.99435 
1 1 1 -23 8  28 x ?        ?         ?              ?        
1 1 1 -23 8  29 x ?        ?         ?              ?        
1 1 1 -23 8  30 x ?        ?         ?              ?        
1 1 1 -23 9  1  o 15.19979 7.247037  ?              ?        
1 1 1 -23 9  2  o 35.13608 5.212228  -1.456688      10.42446 
1 1 1 -23 9  3  o 43.99629 3.499744  ?              ?        
1 1 1 -23 9  4  o 21.18972 5.022256  -6.119368      10.04451 
1 1 1 -23 9  5  o 25.06503 5.837162  15.25210       11.67432 
1 1 1 -23 9  6  o 93.91624 2.591986  -4.109917      5.183972 
1 1 1 -23 9  7  o 30.00946 5.084942  -6.651520      10.16988 
1 1 1 -23 9  8  o 62.88773 3.702387  6.839966       7.404774 
1 1 1 -23 9  9  o 21.13149 5.148330  -2.542770      10.29666 
1 1 1 -23 9  10 o 36.72850 5.086672  -20.77111      10.17334 
1 1 1 -23 9  11 o 40.86696 4.913803  -7.848026      9.827606 
1 1 1 -23 9  12 o 23.80202 5.798301  -1.290840      11.59660 
1 1 1 -23 9  13 o 34.83277 4.785549  -2.299103      9.571098 
1 1 1 -23 9  14 o 54.31193 3.434977  0.7275696      6.869954 
1 1 1 -23 9  15 o 33.34602 4.866020  -0.3882370     9.732040 
1 1 1 -23 9  16 o 44.87573 3.629841  9.050648       7.259682 
1 1 1 -23 9  17 o 16.17446 4.729472  -1.067080      9.458944 
1 1 1 -23 9  18 o 23.23298 4.599754  -14.37258      9.199509 
1 1 1 -23 9  19 o 32.43116 5.201227  -11.71579      10.40245 
1 1 1 -23 9  20 o 55.53401 5.813026  -21.48442      11.62605 
1 1 1 -23 9  21 o 33.72314 5.997739  -7.359398      11.99548 
1 1 1 -23 9  22 o 46.86518 3.690363  -19.40423      7.380726 
1 1 1 -23 9  23 o 28.56681 4.412212  -12.01193      8.824425 
1 1 1 -23 9  24 o 37.72329 4.603575  -22.04790      9.207150 
1 1 1 -23 9  25 o 29.43134 5.113895  6.125555       10.22779 
1 1 1 -23 9  26 o 16.84673 5.179267  0.6371841      10.35853 
1 1 1 -23 9  27 x ?        ?         ?              ?        
1 1 1 -23 9  28 x ?        ?         ?              ?        
1 1 1 -23 9  29 x ?        ?         ?              ?        
1 1 1 -23 10 1  o 15.62610 4.984206  -2.009261      9.968412 
1 1 1 -23 10 2  o 84.15823 2.959004  ?              ?        
1 1 1 -23 10 3  o 28.28732 7.562925  ?              ?        
1 1 1 -23 10 4  o 20.48064 5.789226  14.67099       11.57845 
1 1 1 -23 10 5  f 79.85074 3.377346  -6.652504      6.754691 
1 1 1 -23 10 6  o 19.81857 5.660038  3.117548       11.32008 
1 1 1 -23 10 7  o 42.98785 5.591294  -1.648926      11.18259 
1 1 1 -23 10 8  o 87.16022 2.770230  -8.443642      5.540459 
1 1 1 -23 10 9  o 43.18385 4.587922  -4.694332      9.175844 
1 1 1 -23 10 10 o 37.04726 5.530516  15.36185       11.06103 
1 1 1 -23 10 11 o 57.05789 4.735291  18.17962       9.470582 
1 1 1 -23 10 12 o 57.86223 3.498101  -0.7438965     6.996202 
1 1 1 -23 10 13 o 49.29043 3.816788  0.9601593E-01  7.633576 
1 1 1 -23 10 14 o 49.70800 3.562718  0.1413498      7.125436 
1 1 1 -23 10 15 o 35.09341 4.908740  -11.74580      9.817479 
1 1 1 -23 10 16 o 17.13039 4.801748  -2.222214      9.603496 
1 1 1 -23 10 17 o 29.33200 5.607775  2.385509       11.21555 
1 1 1 -23 10 18 o 16.43886 5.013034  3.780061       10.02607 
1 1 1 -23 10 19 o 25.97236 6.061065  0.3151550      12.12213 
1 1 1 -23 10 20 o 17.08873 4.057079  -12.83278      8.114158 
1 1 1 -23 10 21 o 45.72073 5.417238  -27.72540      10.83448 
1 1 1 -23 10 22 o 48.64109 3.329727  -15.97742      6.659454 
1 1 1 -23 10 23 o 35.99902 3.846926  -11.85486      7.693852 
1 1 1 -23 10 24 o 15.05883 4.350223  -6.487056      8.700445 
1 1 1 -23 10 25 o 20.45993 5.754520  -5.818441      11.50904 
1 1 1 -23 10 26 o 20.86054 5.662152  -11.33899      11.32430 
1 1 1 -23 10 27 x ?        ?         ?              ?        
1 1 1 -23 10 28 x ?        ?         ?              ?        
1 1 1 -23 10 29 x ?        ?         ?              ?        
1 1 1 -23 11 1  o 59.34651 4.166878  -7.494823      8.333756 
1 1 1 -23 11 2  o 28.31899 5.155823  -12.51844      10.31165 
1 1 1 -23 11 3  o 35.97853 7.067857  ?              ?        
1 1 1 -23 11 4  o 57.33507 3.928196  16.86460       7.856391 
1 1 1 -23 11 5  o 61.05595 4.048491  4.660686       8.096982 
1 1 1 -23 11 6  o 48.47878 5.086458  -5.777641      10.17292 
1 1 1 -23 11 7  o 67.26035 3.791102  -5.789406      7.582205 
1 1 1 -23 11 8  o 17.23517 8.068363  ?              ?        
1 1 1 -23 11 9  o 30.52223 5.811091  1.661942       11.62218 
1 1 1 -23 11 10 o 29.20762 5.743615  ?              ?        
1 1 1 -23 11 11 o 24.66668 5.201420  -9.144148      10.40284 
1 1 1 -23 11 12 o 14.63621 4.794266  6.557435       9.588532 
1 1 1 -23 11 13 o 51.03016 3.852383  -7.116474      7.704766 
1 1 1 -23 11 14 o 53.37897 3.610634  0.3905792      7.221269 
1 1 1 -23 11 15 o 17.68426 5.008864  -1.624815      10.01773 
1 1 1 -23 11 16 o 50.29819 4.632255  -13.01940      9.264510 
1 1 1 -23 11 17 o 30.24488 5.141886  -7.075674      10.28377 
1 1 1 -23 11 18 o 15.80225 4.793624  7.939813       9.587249 
1 1 1 -23 11 19 o 20.10678 5.520877  -8.232132      11.04175 
1 1 1 -23 11 20 o 21.04264 4.843454  -1.756567      9.686908 
1 1 1 -23 11 21 o 33.56153 4.378082  -10.96433      8.756165 
1 1 1 -23 11 22 o 17.49540 4.690265  0.8090096      9.380530 
1 1 1 -23 11 23 o 24.26663 4.762563  -5.711908      9.525126 
1 1 1 -23 11 24 o 26.54344 4.843916  -12.21639      9.687832 
1 1 1 -23 11 25 o 38.31741 5.185777  -26.00624      10.37155 
1 1 1 -23 11 26 x ?        ?         ?              ?        
1 1 1 -23 11 27 x ?        ?         ?              ?        
1 1 1 -23 11 28 x ?        ?         ?              ?        
1 1 1 -23 12 1  o 23.98496 5.801053  5.367620       11.60211 
1 1 1 -23 12 2  o 25.93925 5.986478  6.454302       11.97296 
1 1 1 -23 12 3  o 26.40264 5.759518  -3.542967      11.51904 
1 1 1 -23 12 4  o 44.04167 5.311241  -13.10794      10.62248 
1 1 1 -23 12 5  o 68.68381 3.763487  4.272537       7.526974 
1 1 1 -23 12 6  o 18.87264 5.469192  -0.1337109     10.93838 
1 1 1 -23 12 7  o 40.64429 9.547523  ?              ?        
1 1 1 -23 12 8  o 45.38352 5.322559  -16.66547      10.64512 
1 1 1 -23 12 9  o 17.21107 6.614281  ?              ?        
1 1 1 -23 12 10 o 20.91286 5.751812  9.543518       11.50362 
1 1 1 -23 12 11 o 32.95807 5.753178  2.198923       11.50636 
1 1 1 -23 12 12 o 42.91431 4.401074  10.97298       8.802149 
1 1 1 -23 12 13 o 14.03159 4.554993  3.740044       9.109986 
1 1 1 -23 12 14 o 19.81094 5.151865  -1.823692      10.30373 
1 1 1 -23 12 15 o 43.43803 5.091616  -13.84513      10.18323 
1 1 1 -23 12 16 o 12.34326 4.128360  3.966925       8.256721 
1 1 1 -23 12 17 o 14.54363 4.538332  -8.323908      9.076664 
1 1 1 -23 12 18 o 15.04321 4.928441  4.484180       9.856881 
1 1 1 -23 12 19 o 19.62182 5.649839  2.227678       11.29968 
1 1 1 -23 12 20 o 24.41111 4.836527  -0.3025665     9.673054 
1 1 1 -23 12 21 o 15.87159 4.378808  -5.741998      8.757615 
1 1 1 -23 12 22 o 13.62815 4.249392  0.3797855      8.498783 
1 1 1 -23 12 23 o 14.58453 4.417820  -0.1462545     8.835640 
1 1 1 -23 12 24 o 15.53602 4.812604  -0.9722843     9.625208 
1 1 1 -23 12 25 x ?        ?         ?              ?        
1 1 1 -23 12 26 x ?        ?         ?              ?        
1 1 1 -23 12 27 x ?        ?         ?              ?        
1 1 1 -23 13 1  o 16.03680 4.890378  0.3101797      9.780757 
1 1 1 -23 13 2  o 13.30648 4.475204  4.588598       8.950408 
1 1 1 -23 13 3  o 22.34290 5.819459  0.6408806      11.63892 
1 1 1 -23 13 4  o 49.53295 4.869604  -2.569851      9.739208 
1 1 1 -23 13 5  o 72.93925 6.723412  ?              ?        
1 1 1 -23 13 6  o 18.30307 5.475565  10.16912       10.95113 
1 1 1 -23 13 7  o 23.97975 5.285790  -9.586067      10.57158 
1 1 1 -23 13 8  o 20.74780 5.730586  0.5974541      11.46117 
1 1 1 -23 13 9  o 40.51757 8.834394  ?              ?        
1 1 1 -23 13 10 o 17.09736 5.203852  2.943274       10.40770 
1 1 1 -23 13 11 f 14.65390 4.744962  9.498178       9.489924 
1 1 1 -23 13 12 o 18.57691 5.461651  5.827713       10.92330 
1 1 1 -23 13 13 o 43.39003 5.113575  -15.27448      10.22715 
1 1 1 -23 13 14 o 25.28194 5.245168  -4.958286      10.49034 
1 1 1 -23 13 15 o 27.60947 5.566275  -11.68287      11.13255 
1 1 1 -23 13 16 o 31.08210 5.231065  -9.795732      10.46213 
1 1 1 -23 13 17 o 26.02824 5.958719  3.363520       11.91744 
1 1 1 -23 13 18 o 44.63322 3.687876  -17.96592      7.375751 
1 1 1 -23 13 19 o 11.69416 4.033798  1.150720       8.067595 
1 1 1 -23 13 20 o 16.49667 4.429419  -5.755322      8.858838 
1 1 1 -23 13 21 o 13.96516 4.180312  -3.958557      8.360624 
1 1 1 -23 13 22 o 27.07697 4.410138  -17.68038      8.820275 
1 1 1 -23 13 23 o 18.19403 5.238357  -0.7123928     10.47671 
1 1 1 -23 13 24 o 14.22525 6.202149  ?              ?        
1 1 1 -23 13 25 x ?        ?         ?              ?        
1 1 1 -23 13 26 x ?        ?         ?              ?        
1 1 1 -23 14 1  o 17.59269 5.111542  10.27144       10.22308 
1 1 1 -23 14 2  o 18.66947 5.241314  6.391906       10.48263 
1 1 1 -23 14 3  o 29.47290 5.615562  -13.13898      11.23112 
1 1 1 -23 14 4  f 24.68305 6.421971  7.282648       12.84394 
1 1 1 -23 14 5  o 27.63085 5.587250  16.71023       11.17450 
1 1 1 -23 14 6  o 36.71846 5.144729  ?              ?        
1 1 1 -23 14 7  o 25.33958 5.679542  3.928505       11.35908 
1 1 1 -23 14 8  o 15.84275 4.691319  -4.130189      9.382639 
1 1 1 -23 14 9  o 17.24457 5.204425  0.7291527      10.40885 
1 1 1 -23 14 10 o 38.16765 5.254200  -6.567986      10.50840 
1 1 1 -23 14 11 o 24.10443 5.645913  -1.077557      11.29183 
1 1 1 -23 14 12 o 15.73831 4.932157  7.166879       9.864313 
1 1 1 -23 14 13 o 69.20119 3.508410  2.824577       7.016819 
1 1 1 -23 14 14 o 50.58678 6.080593  ?              ?        
1 1 1 -23 14 15 o 37.22919 4.673588  -10.10419      9.347176 
1 1 1 -23 14 16 o 19.42925 5.241662  1.595686       10.48332 
1 1 1 -23 14 17 o 18.04881 4.928030  -1.007051      9.856061 
1 1 1 -23 14 18 f 21.23597 5.134926  2.446075       10.26985 
1 1 1 -23 14 19 o 42.37223 4.644961  -13.46856      9.289922 
1 1 1 -23 14 20 o 29.93798 4.314641  -15.37137      8.629282 
1 1 1 -23 14 21 o 14.80229 4.480021  -2.744225      8.960043 
1 1 1 -23 14 22 o 12.61100 4.245164  -1.214093      8.490328 
1 1 1 -23 14 23 o 17.40835 6.862582  ?              ?        
1 1 1 -23 14 24 x ?        ?         ?              ?        
1 1 1 -23 14 25 x ?        ?         ?              ?        
1 1 1 -23 15 1  o 35.21940 5.030837  4.557598       10.06167 
1 1 1 -23 15 2  o 22.56006 5.785848  -7.339493      11.57170 
1 1 1 -23 15 3  o 18.44305 4.316305  -12.83981      8.632610 
1 1 1 -23 15 4  o 38.85423 7.022497  ?              ?        
1 1 1 -23 15 5  o 12.60326 5.726262  ?              ?        
1 1 1 -23 15 6  o 48.12906 4.243992  -2.275784      8.487984 
1 1 1 -23 15 7  o 18.24898 5.316951  2.520844       10.63390 
1 1 1 -23 15 8  o 14.74775 4.742793  4.543060       9.485585 
1 1 1 -23 15 9  o 61.38641 3.773280  -7.585598      7.546560 
1 1 1 -23 15 10 o 59.74607 3.919475  -16.35674      7.838950 
1 1 1 -23 15 11 o 24.88032 5.311142  -7.439795      10.62228 
1 1 1 -23 15 12 o 20.66817 5.825645  0.2167015      11.65129 
1 1 1 -23 15 13 o 21.84783 5.516788  16.23789       11.03358 
1 1 1 -23 15 14 o 36.40072 4.809585  ?              ?        
1 1 1 -23 15 15 o 21.91260 5.727789  -3.196564      11.45558 
1 1 1 -23 15 16 o 32.03561 4.587135  -16.12658      9.174270 
1 1 1 -23 15 17 o 13.57272 4.198290  12.23516       8.396581 
1 1 1 -23 15 18 o 14.02934 4.183455  -6.395687      8.366909 
1 1 1 -23 15 19 o 13.20774 4.399265  -2.853118      8.798531 
1 1 1 -23 15 20 o 17.24377 4.966642  -1.967543      9.933285 
1 1 1 -23 15 21 o 48.97738 4.577952  -25.94994      9.155904 
1 1 1 -23 15 22 o 9.533529 4.731756  ?              ?        
1 1 1 -23 15 23 x ?        ?         ?              ?        
1 1 1 -23 15 24 x ?        ?         ?              ?        
1 1 1 -23 16 1  o 27.64398 5.059537  4.903620       10.11907 
1 1 1 -23 16 2  o 22.59135 5.424899  8.274965       10.84980 
1 1 1 -23 16 3  o 47.46722 4.084875  ?              ?        
1 1 1 -23 16 4  o 16.94913 5.061565  3.416202       10.12313 
1 1 1 -23 16 5  o 23.28899 5.356675  -0.2998924E-01 10.71335 
1 1 1 -23 16 6  o 14.40486 4.460599  -1.914542      8.921198 
1 1 1 -23 16 7  o 18.81290 5.077881  -3.596878      10.15576 
1 1 1 -23 16 8  o 28.63392 5.530185  -1.309048      11.06037 
1 1 1 -23 16 9  o 51.22557 3.989496  -8.325371      7.978992 
1 1 1 -23 16 10 o 29.21149 4.707796  -20.18023      9.415592 
1 1 1 -23 16 11 o 16.64799 7.430834  ?              ?        
1 1 1 -23 16 12 o 27.83634 5.115918  10.30362       10.23184 
1 1 1 -23 16 13 o 20.42054 6.940017  ?              ?        
1 1 1 -23 16 14 o 20.53988 5.178082  1.916498       10.35616 
1 1 1 -23 16 15 o 18.38002 4.685125  -7.815865      9.370251 
1 1 1 -23 16 16 o 23.15778 5.045996  0.7431602E-01  10.09199 
1 1 1 -23 16 17 o 30.35085 4.103933  -25.38136      8.207867 
1 1 1 -23 16 18 o 21.00691 4.556681  -10.91817      9.113362 
1 1 1 -23 16 19 o 27.06895 5.052396  -0.4477615     10.10479 
1 1 1 -23 16 20 o 57.96159 3.975375  -32.12247      7.950750 
1 1 1 -23 16 21 x ?        ?         ?              ?        
1 1 1 -23 16 22 x ?        ?         ?              ?        
1 1 1 -23 16 23 x ?        ?         ?              ?        
1 1 1 -23 17 1  f 15.58218 6.163946  ?              ?        
1 1 1 -23 17 2  o 24.87393 5.344594  3.373343       10.68919 
1 1 1 -23 17 3  o 42.47737 4.360437  -5.000572      8.720875 
1 1 1 -23 17 4  o 51.98354 3.604710  9.980381       7.209421 
1 1 1 -23 17 5  o 19.47715 5.064187  4.847778       10.12837 
1 1 1 -23 17 6  o 16.40330 4.811886  6.557222       9.623772 
1 1 1 -23 17 7  o 15.55122 4.536798  -3.169956      9.073597 
1 1 1 -23 17 8  o 21.77120 4.993904  -6.479441      9.987807 
1 1 1 -23 17 9  o 21.61771 7.686563  ?              ?        
1 1 1 -23 17 10 o 34.74469 4.439462  -24.31770      8.878923 
1 1 1 -23 17 11 f 13.27950 5.921482  ?              ?        
1 1 1 -23 17 12 o 18.98922 4.958403  0.7340260      9.916806 
1 1 1 -23 17 13 o 30.28391 4.623569  8.788435       9.247137 
1 1 1 -23 17 14 o 31.99947 4.478857  -15.72690      8.957713 
1 1 1 -23 17 15 o 11.44465 3.788657  4.051302       7.577314 
1 1 1 -23 17 16 o 17.95863 4.587791  10.38515       9.175583 
1 1 1 -23 17 17 o 15.66387 4.424423  -4.692099      8.848846 
1 1 1 -23 17 18 o 15.45241 4.824098  -8.620765      9.648196 
1 1 1 -23 17 19 o 24.03554 7.443383  ?              ?        
1 1 1 -23 17 20 x ?        ?         ?              ?        
1 1 1 -23 17 21 x ?        ?         ?              ?        
1 1 1 -23 17 22 x ?        ?         ?              ?        
1 1 1 -23 18 1  o 14.85094 4.198581  6.354631       8.397161 
1 1 1 -23 18 2  o 19.28956 4.696513  -4.128632      9.393026 
1 1 1 -23 18 3  o 37.72196 4.015739  -17.02196      8.031478 
1 1 1 -23 18 4  o 17.61710 4.562724  -6.190899      9.125447 
1 1 1 -23 18 5  o 26.09991 8.264846  ?              ?        
1 1 1 -23 18 6  o 20.64769 4.802336  -5.590118      9.604671 
1 1 1 -23 18 7  o 17.01989 7.138108  ?              ?        
1 1 1 -23 18 8  f 19.23634 4.890957  4.710651       9.781914 
1 1 1 -23 18 9  o 19.42704 4.595619  -8.214697      9.191238 
1 1 1 -23 18 10 o 13.48859 5.860341  ?              ?        
1 1 1 -23 18 11 o 12.50810 3.927244  -3.808001      7.854489 
1 1 1 -23 18 12 o 14.56650 4.254822  -2.442381      8.509645 
1 1 1 -23 18 13 o 19.26684 4.739545  4.663923       9.479090 
1 1 1 -23 18 14 o 13.05144 4.050241  0.3162270      8.100482 
1 1 1 -23 18 15 o 16.62991 4.470974  -4.716355      8.941948 
1 1 1 -23 18 16 o 27.53019 4.403567  -12.31383      8.807135 
1 1 1 -23 18 17 o 15.52740 4.831539  -8.870193      9.663078 
1 1 1 -23 18 18 o 10.61697 5.080198  ?              ?        
1 1 1 -23 18 19 x ?        ?         ?              ?        
1 1 1 -23 18 20 x ?        ?         ?              ?        
1 1 1 -23 19 1  o 19.68157 4.484158  -1.219025      8.968316 
1 1 1 -23 19 2  o 20.83360 4.544696  0.7014103      9.089392 
1 1 1 -23 19 3  o 16.20966 4.409333  7.942921       8.818666 
1 1 1 -23 19 4  o 19.26740 4.944599  7.042443       9.889197 
1 1 1 -23 19 5  o 16.04255 4.864963  4.532366       9.729926 
1 1 1 -23 19 6  o 29.69889 4.177172  -19.64018      8.354343 
1 1 1 -23 19 7  o 14.90782 3.951005  -9.174010      7.902010 
1 1 1 -23 19 8  o 11.46626 5.205264  ?              ?        
1 1 1 -23 19 9  o 12.87316 3.975959  -0.5298300     7.951919 
1 1 1 -23 19 10 o 12.43618 3.942400  -0.6949835     7.884800 
1 1 1 -23 19 11 o 14.24459 4.322622  2.273487       8.645244 
1 1 1 -23 19 12 o 13.66106 4.115537  -3.403403      8.231073 
1 1 1 -23 19 13 o 13.31885 4.031379  -4.148913      8.062757 
1 1 1 -23 19 14 o 25.65276 4.908898  -0.8801594     9.817797 
1 1 1 -23 19 15 o 22.78443 5.176333  -18.65722      10.35267 
1 1 1 -23 19 16 o 17.62140 6.739898  ?              ?        
1 1 1 -23 19 17 x ?        ?         ?              ?        
1 1 1 -23 19 18 x ?        ?         ?              ?        
1 1 1 -23 20 1  o 11.20730 3.736105  0.9735518      7.472210 
1 1 1 -23 20 2  o 12.54881 3.995853  -2.344062      7.991705 
1 1 1 -23 20 3  o 14.60473 4.625048  -5.203930      9.250096 
1 1 1 -23 20 4  o 12.61961 3.987003  0.3852568      7.974006 
1 1 1 -23 20 5  o 16.25093 4.535731  -2.250796      9.071463 
1 1 1 -23 20 6  o 31.18267 4.875770  ?              ?        
1 1 1 -23 20 7  o 18.99720 4.744663  1.708094       9.489326 
1 1 1 -23 20 8  o 14.85132 4.264726  6.428691       8.529452 
1 1 1 -23 20 9  o 16.67390 4.579391  3.638968       9.158782 
1 1 1 -23 20 10 f 14.43386 4.209198  -2.744951      8.418396 
1 1 1 -23 20 11 o 13.54330 4.112777  6.487721       8.225554 
1 1 1 -23 20 12 o 17.02521 4.478569  5.432281       8.957138 
1 1 1 -23 20 13 o 13.25987 4.132108  1.603692       8.264216 
1 1 1 -23 20 14 o 11.83428 5.445271  ?              ?        
1 1 1 -23 20 15 o 14.26160 6.158364  ?              ?        
1 1 1 -23 21 2  o 13.49848 4.228624  3.076467       8.457249 
1 1 1 -23 21 3  f 13.13205 5.524017  ?              ?        
1 1 1 -23 21 4  o 16.04932 3.896270  -12.11393      7.792540 
1 1 1 -23 21 5  o 14.62610 4.234473  7.641695       8.468946 
1 1 1 -23 21 6  o 10.13634 4.758494  ?              ?        
1 1 1 -23 21 7  f 20.44534 4.556161  -5.175217      9.112323 
1 1 1 -23 21 8  o 16.94860 4.563387  6.704028       9.126775 
1 1 1 -23 21 9  o 9.861664 3.344713  -0.4539061     6.689426 
1 1 1 -23 21 10 o 14.62447 4.253907  -3.995529      8.507814 
1 1 1 -23 21 11 o 13.63128 4.307370  2.277758       8.614739 
1 1 1 -22 0  1  o 35.51641 4.048916  0.000000       0.000000 
1 1 1 -22 0  2  o 83.13792 2.598042  0.000000       0.000000 
1 1 1 -22 0  3  o 87.31311 2.614001  0.000000       0.000000 
1 1 1 -22 0  4  o 11.40359 6.634972  -0.000000      0.000000 
1 1 1 -22 0  5  o 18.57373 7.128098  0.000000       0.000000 
1 1 1 -22 0  6  o 51.69259 3.207040  0.000000       0.000000 
1 1 1 -22 0  7  o 7.827743 5.276358  0.000000       0.000000 
1 1 1 -22 0  8  o 9.363264 6.263371  0.000000       0.000000 
1 1 1 -22 0  9  x ?        ?         ?              ?        
1 1 1 -22 0  10 o 46.74822 3.168379  -0.000000      0.000000 
1 1 1 -22 0  11 o 77.37601 2.668005  0.000000       0.000000 
1 1 1 -22 0  12 o 6.718481 4.725213  -0.000000      0.000000 
1 1 1 -22 0  13 o 53.03816 3.195354  -0.000000      0.000000 
1 1 1 -22 0  14 f 11.82454 7.581475  -0.000000      0.000000 
1 1 1 -22 0  15 o 50.15855 3.283898  0.000000       0.000000 
1 1 1 -22 0  16 o 37.12449 5.607361  0.000000       0.000000 
1 1 1 -22 0  17 o 29.74825 5.795010  -0.000000      0.000000 
1 1 1 -22 0  18 o 11.71938 7.057293  -0.000000      0.000000 
1 1 1 -22 0  19 o 26.72433 6.913578  0.000000       0.000000 
1 1 1 -22 0  20 o 31.01792 6.297297  -0.000000      0.000000 
1 1 1 -22 0  21 o 46.86494 3.945407  0.000000       0.000000 
1 1 1 -22 0  22 f 73.76860 3.290515  -0.000000      0.000000 
1 1 1 -22 0  23 o 96.72045 4.874061  -0.000000      0.000000 
1 1 1 -22 0  24 x ?        ?         ?              ?        
1 1 1 -22 0  25 o 42.31279 8.002784  -0.000000      0.000000 
1 1 1 -22 0  26 o 20.83827 10.31968  0.000000       0.000000 
1 1 1 -22 0  27 o 26.02718 10.51487  0.000000       0.000000 
1 1 1 -22 0  28 o 49.20107 6.668478  0.000000       0.000000 
1 1 1 -22 0  29 o 9.582338 6.795138  -0.000000      0.000000 
1 1 1 -22 0  30 o 18.05376 9.819287  0.000000       0.000000 
1 1 1 -22 0  31 x ?        ?         ?              ?        
1 1 1 -22 0  32 x ?        ?         ?              ?        
1 1 1 -22 1  1  o 62.10243 2.017959  0.5674324      4.035918 
1 1 1 -22 1  2  o 92.41916 1.815520  -5.654945      3.631040 
1 1 1 -22 1  3  f 92.65248 1.822413  0.1185379      3.644827 
1 1 1 -22 1  4  o 24.14696 3.765887  4.645145       7.531775 
1 1 1 -22 1  5  o 51.33167 2.150515  -0.6080627E-02 4.301031 
1 1 1 -22 1  6  o 34.18978 3.326842  -0.8427010     6.653684 
1 1 1 -22 1  7  o 35.66925 2.668724  5.635605       5.337448 
1 1 1 -22 1  8  o 33.12144 3.757838  -8.138512      7.515676 
1 1 1 -22 1  9  o 38.80274 2.549306  8.478283       5.098613 
1 1 1 -22 1  10 o 59.01517 2.043490  9.416039       4.086979 
1 1 1 -22 1  11 o 117.2051 1.876355  -6.183014      3.752711 
1 1 1 -22 1  12 o 69.38103 1.981453  -3.178368      3.962905 
1 1 1 -22 1  13 o 71.08914 1.951039  -3.990135      3.902079 
1 1 1 -22 1  14 o 55.91047 3.396205  -9.910084      6.792410 
1 1 1 -22 1  15 o 87.81622 1.916201  -1.785103      3.832402 
1 1 1 -22 1  16 o 112.4237 2.625420  -1.742027      5.250840 
1 1 1 -22 1  17 o 83.79427 2.027828  -6.917305      4.055655 
1 1 1 -22 1  18 o 27.38239 4.079879  7.887312       8.159758 
1 1 1 -22 1  19 o 39.35280 3.165274  -3.526146      6.330548 
1 1 1 -22 1  20 o 36.45308 3.452711  0.5767860      6.905423 
1 1 1 -22 1  21 o 79.82754 2.240238  -4.337830      4.480475 
1 1 1 -22 1  22 o 27.99772 4.334424  -0.1239014E-01 8.668847 
1 1 1 -22 1  23 o 19.73936 5.812515  1.509661       11.62503 
1 1 1 -22 1  24 x ?        ?         ?              ?        
1 1 1 -22 1  25 o 23.52631 6.057042  7.578007       12.11408 
1 1 1 -22 1  26 o 18.28639 5.355254  7.614692       10.71051 
1 1 1 -22 1  27 o 27.06366 6.046530  10.32550       12.09306 
1 1 1 -22 1  28 o 14.40047 4.711843  5.102332       9.423686 
1 1 1 -22 1  29 o 28.40234 6.198572  -2.406471      12.39714 
1 1 1 -22 1  30 o 22.77880 5.746300  8.251146       11.49260 
1 1 1 -22 1  31 x ?        ?         ?              ?        
1 1 1 -22 1  32 x ?        ?         ?              ?        
1 1 1 -22 2  1  o 27.08903 3.707520  -6.361031      7.415039 
1 1 1 -22 2  2  o 81.68843 1.887612  -2.005989      3.775223 
1 1 1 -22 2  3  o 59.15664 2.105339  -7.669395      4.210677 
1 1 1 -22 2  4  o 90.79036 1.828833  0.4488373      3.657665 
1 1 1 -22 2  5  o 39.45874 3.172103  -0.1244316     6.344206 
1 1 1 -22 2  6  o 14.34543 3.985570  4.459558       7.971139 
1 1 1 -22 2  7  o 52.85437 2.441684  -4.142132      4.883368 
1 1 1 -22 2  8  o 91.02858 1.861160  5.909073       3.722320 
1 1 1 -22 2  9  o 126.7830 1.900140  0.5037994      3.800279 
1 1 1 -22 2  10 o 39.79517 2.740177  -4.730686      5.480354 
1 1 1 -22 2  11 f 41.15160 2.610714  -4.707691      5.221427 
1 1 1 -22 2  12 o 42.95942 2.499216  5.525276       4.998432 
1 1 1 -22 2  13 o 54.09182 2.268607  2.379234       4.537214 
1 1 1 -22 2  14 o 143.3052 3.016295  8.876160       6.032590 
1 1 1 -22 2  15 o 81.37238 2.022063  -1.114563      4.044127 
1 1 1 -22 2  16 o 15.46132 4.614769  1.167103       9.229539 
1 1 1 -22 2  17 o 40.47941 2.870640  6.666317       5.741279 
1 1 1 -22 2  18 o 35.79372 3.467114  0.4699707E-01  6.934229 
1 1 1 -22 2  19 o 48.09706 2.892840  -4.666409      5.785680 
1 1 1 -22 2  20 o 14.38103 5.856729  ?              ?        
1 1 1 -22 2  21 o 37.61237 3.380768  -2.752052      6.761536 
1 1 1 -22 2  22 o 18.80516 5.540098  -5.264523      11.08020 
1 1 1 -22 2  23 f 27.81873 5.616185  13.06604       11.23237 
1 1 1 -22 2  24 x ?        ?         ?              ?        
1 1 1 -22 2  25 o 23.26968 5.861643  10.82734       11.72329 
1 1 1 -22 2  26 o 21.55116 5.770553  11.26794       11.54111 
1 1 1 -22 2  27 o 26.91964 5.929380  -7.966133      11.85876 
1 1 1 -22 2  28 o 36.05474 5.659035  8.006935       11.31807 
1 1 1 -22 2  29 o 19.56302 5.646285  0.5888138      11.29257 
1 1 1 -22 2  30 o 32.59722 5.828550  -17.34769      11.65710 
1 1 1 -22 2  31 x ?        ?         ?              ?        
1 1 1 -22 2  32 x ?        ?         ?              ?        
1 1 1 -22 3  1  o 124.0834 1.921824  1.093262       3.843649 
1 1 1 -22 3  2  o 77.75977 1.974740  -6.279182      3.949480 
1 1 1 -22 3  3  o 33.42974 2.957140  4.260462       5.914279 
1 1 1 -22 3  4  o 39.57960 2.627373  -0.6107483     5.254745 
1 1 1 -22 3  5  o 80.01050 2.593585  2.433296       5.187170 
1 1 1 -22 3  6  o 22.94125 3.969975  0.6736889      7.939950 
1 1 1 -22 3  7  o 86.36592 2.722095  -1.045074      5.444191 
1 1 1 -22 3  8  o 124.3046 1.918144  6.067726       3.836288 
1 1 1 -22 3  9  o 86.69930 1.886289  1.167007       3.772578 
1 1 1 -22 3  10 o 83.90843 1.922802  2.452484       3.845604 
1 1 1 -22 3  11 o 76.89641 1.951528  -1.861137      3.903056 
1 1 1 -22 3  12 o 27.55048 3.749754  -0.7356071E-01 7.499509 
1 1 1 -22 3  13 f 130.9267 2.017522  -0.1931915     4.035044 
1 1 1 -22 3  14 o 80.17716 3.015363  -1.363617      6.030726 
1 1 1 -22 3  15 o 27.67828 4.082069  -6.021349      8.164138 
1 1 1 -22 3  16 o 88.39474 2.815921  -3.615486      5.631841 
1 1 1 -22 3  17 f 83.77947 2.117591  1.280029       4.235182 
1 1 1 -22 3  18 o 75.68702 3.718400  ?              ?        
1 1 1 -22 3  19 o 37.61605 3.502923  10.71623       7.005845 
1 1 1 -22 3  20 o 108.2124 2.147232  -3.300026      4.294464 
1 1 1 -22 3  21 o 18.02252 4.870063  3.880024       9.740126 
1 1 1 -22 3  22 o 111.6436 3.277050  12.14050       6.554101 
1 1 1 -22 3  23 o 39.17245 5.116713  -10.53995      10.23343 
1 1 1 -22 3  24 x ?        ?         ?              ?        
1 1 1 -22 3  25 o 17.93972 5.439383  6.422095       10.87877 
1 1 1 -22 3  26 f 26.52913 6.094740  -3.648281      12.18948 
1 1 1 -22 3  27 f 23.43270 5.951863  -3.527803      11.90373 
1 1 1 -22 3  28 f 16.99319 5.202726  -3.165028      10.40545 
1 1 1 -22 3  29 o 23.81238 5.690807  7.734831       11.38161 
1 1 1 -22 3  30 o 18.68578 5.311103  -12.29667      10.62221 
1 1 1 -22 3  31 x ?        ?         ?              ?        
1 1 1 -22 3  32 x ?        ?         ?              ?        
1 1 1 -22 4  1  o 109.1832 1.955623  -9.684067      3.911245 
1 1 1 -22 4  2  f 51.70578 2.570757  -9.728844      5.141514 
1 1 1 -22 4  3  o 63.43831 2.122144  5.270367       4.244288 
1 1 1 -22 4  4  o 44.44858 3.105543  12.14216       6.211086 
1 1 1 -22 4  5  o 46.05851 2.754380  1.379337       5.508759 
1 1 1 -22 4  6  o 40.57418 2.924233  -1.198792      5.848466 
1 1 1 -22 4  7  o 43.39127 3.500309  10.39040       7.000618 
1 1 1 -22 4  8  o 50.48064 2.420825  3.419144       4.841651 
1 1 1 -22 4  9  o 14.83359 4.882340  ?              ?        
1 1 1 -22 4  10 o 13.63743 6.084170  ?              ?        
1 1 1 -22 4  11 o 20.03922 4.356042  9.352292       8.712085 
1 1 1 -22 4  12 o 38.18820 2.948055  3.542950       5.896110 
1 1 1 -22 4  13 o 13.56393 4.164965  -0.3175497     8.329930 
1 1 1 -22 4  14 o 18.34180 4.504415  -9.489637      9.008830 
1 1 1 -22 4  15 o 123.7167 2.105641  2.516663       4.211282 
1 1 1 -22 4  16 o 85.94771 2.936058  -8.097031      5.872116 
1 1 1 -22 4  17 o 46.81512 2.982884  -2.822887      5.965768 
1 1 1 -22 4  18 o 38.66626 3.845624  -0.5007935E-01 7.691249 
1 1 1 -22 4  19 o 33.44744 4.812900  -28.12215      9.625799 
1 1 1 -22 4  20 o 34.87354 4.381567  -24.24420      8.763135 
1 1 1 -22 4  21 o 25.15286 4.927451  1.872608       9.854901 
1 1 1 -22 4  22 o 39.41325 5.773609  -3.817886      11.54722 
1 1 1 -22 4  23 o 52.86478 4.041295  -3.362286      8.082590 
1 1 1 -22 4  24 o 23.77174 6.033754  -5.838228      12.06751 
1 1 1 -22 4  25 o 38.96369 5.686518  -8.317638      11.37304 
1 1 1 -22 4  26 o 23.85698 5.083166  -22.25291      10.16633 
1 1 1 -22 4  27 o 18.24703 5.376992  1.907776       10.75398 
1 1 1 -22 4  28 o 14.81451 4.826707  5.783460       9.653415 
1 1 1 -22 4  29 o 17.21293 5.303357  2.767593       10.60671 
1 1 1 -22 4  30 o 15.41327 4.997128  0.4898167E-01  9.994256 
1 1 1 -22 4  31 x ?        ?         ?              ?        
1 1 1 -22 4  32 x ?        ?         ?              ?        
1 1 1 -22 5  1  o 37.06349 3.454370  -2.248840      6.908741 
1 1 1 -22 5  2  o 82.95741 2.070095  -1.971123      4.140190 
1 1 1 -22 5  3  o 93.38739 2.161551  -12.12640      4.323102 
1 1 1 -22 5  4  o 58.45263 2.427436  -8.440041      4.854871 
1 1 1 -22 5  5  o 42.69462 2.776394  -0.4051056     5.552788 
1 1 1 -22 5  6  o 45.76342 3.043564  -10.31899      6.087127 
1 1 1 -22 5  7  o 9.467764 3.306727  3.692357       6.613454 
1 1 1 -22 5  8  o 58.49239 2.335542  -4.100292      4.671085 
1 1 1 -22 5  9  o 66.57906 2.018333  ?              ?        
1 1 1 -22 5  10 o 25.42472 4.134403  -1.032639      8.268806 
1 1 1 -22 5  11 o 44.83248 3.051011  -7.390270      6.102023 
1 1 1 -22 5  12 o 97.29288 2.101315  -6.802216      4.202630 
1 1 1 -22 5  13 o 80.27231 3.077881  -6.572357      6.155763 
1 1 1 -22 5  14 o 70.48193 2.381060  -7.792374      4.762119 
1 1 1 -22 5  15 o 30.92306 5.627135  4.244972       11.25427 
1 1 1 -22 5  16 f 39.59474 3.420794  -2.396656      6.841587 
1 1 1 -22 5  17 o 43.77598 3.459737  -9.116592      6.919474 
1 1 1 -22 5  18 o 83.33881 3.310723  -15.90070      6.621446 
1 1 1 -22 5  19 o 65.91064 3.815192  -11.80536      7.630383 
1 1 1 -22 5  20 o 42.20113 3.625958  -4.193245      7.251916 
1 1 1 -22 5  21 o 27.85078 4.600152  -10.42874      9.200304 
1 1 1 -22 5  22 o 14.60590 4.531388  1.848963       9.062777 
1 1 1 -22 5  23 o 45.39864 4.749666  ?              ?        
1 1 1 -22 5  24 o 19.20606 5.691757  8.537765       11.38351 
1 1 1 -22 5  25 o 20.72541 5.632441  8.430771       11.26488 
1 1 1 -22 5  26 o 21.70850 5.503932  16.80090       11.00786 
1 1 1 -22 5  27 o 31.86878 5.707021  17.54871       11.41404 
1 1 1 -22 5  28 o 34.40385 5.475202  -21.80234      10.95040 
1 1 1 -22 5  29 o 18.21159 5.482210  -8.254202      10.96442 
1 1 1 -22 5  30 x ?        ?         ?              ?        
1 1 1 -22 5  31 x ?        ?         ?              ?        
1 1 1 -22 5  32 x ?        ?         ?              ?        
1 1 1 -22 6  1  o 44.80507 3.195183  -8.984344      6.390367 
1 1 1 -22 6  2  o 77.79982 2.289538  -4.982590      4.579077 
1 1 1 -22 6  3  f 36.43809 3.348243  7.222969       6.696486 
1 1 1 -22 6  4  o 50.73455 2.956814  -7.388893      5.913627 
1 1 1 -22 6  5  o 72.47916 2.534719  -1.143204      5.069439 
1 1 1 -22 6  6  o 40.14470 9.362523  ?              ?        
1 1 1 -22 6  7  o 29.44629 3.857926  8.575401       7.715851 
1 1 1 -22 6  8  o 35.56179 3.320117  0.9185562      6.640235 
1 1 1 -22 6  9  o 26.84089 7.613292  ?              ?        
1 1 1 -22 6  10 o 33.88831 4.020279  -10.77675      8.040558 
1 1 1 -22 6  11 o 46.14830 3.003804  -4.265915      6.007608 
1 1 1 -22 6  12 o 14.38085 4.575054  6.134074       9.150107 
1 1 1 -22 6  13 o 21.63087 4.938989  -3.825680      9.877977 
1 1 1 -22 6  14 o 22.57267 5.031198  -1.185543      10.06240 
1 1 1 -22 6  15 o 58.73602 3.867926  -2.803501      7.735853 
1 1 1 -22 6  16 o 84.00801 2.431437  -8.037865      4.862875 
1 1 1 -22 6  17 o 54.45714 3.012256  -1.247086      6.024512 
1 1 1 -22 6  18 o 60.33263 4.199297  1.003807       8.398594 
1 1 1 -22 6  19 o 131.5029 3.437929  -7.621246      6.875858 
1 1 1 -22 6  20 f 99.39017 2.423368  -4.245064      4.846735 
1 1 1 -22 6  21 o 58.97821 3.897421  1.148193       7.794841 
1 1 1 -22 6  22 o 26.98489 3.749539  -26.49900      7.499079 
1 1 1 -22 6  23 o 15.68037 6.750061  ?              ?        
1 1 1 -22 6  24 o 74.31945 3.681220  -2.551682      7.362439 
1 1 1 -22 6  25 o 46.28975 5.093915  -17.76627      10.18783 
1 1 1 -22 6  26 o 51.85619 4.731360  -24.64694      9.462721 
1 1 1 -22 6  27 o 18.47868 5.483362  0.3868217      10.96672 
1 1 1 -22 6  28 o 16.52905 5.013864  4.077392       10.02773 
1 1 1 -22 6  29 o 18.71006 5.363201  -13.42522      10.72640 
1 1 1 -22 6  30 x ?        ?         ?              ?        
1 1 1 -22 6  31 x ?        ?         ?              ?        
1 1 1 -22 6  32 x ?        ?         ?              ?        
1 1 1 -22 7  1  o 55.95396 3.549628  ?              ?        
1 1 1 -22 7  2  o 34.57591 4.797069  -8.327803      9.594138 
1 1 1 -22 7  3  f 98.29088 2.544218  -3.102997      5.088437 
1 1 1 -22 7  4  o 28.64507 4.922537  9.904423       9.845074 
1 1 1 -22 7  5  o 70.25510 3.919064  -0.2045212     7.838129 
1 1 1 -22 7  6  o 51.56812 2.897997  -0.6786880     5.795994 
1 1 1 -22 7  7  o 124.9619 2.250971  -9.777916      4.501942 
1 1 1 -22 7  8  o 41.95612 4.058008  -12.25087      8.116016 
1 1 1 -22 7  9  o 89.46305 2.325482  0.8324280      4.650964 
1 1 1 -22 7  10 o 25.92257 4.236469  -11.45677      8.472939 
1 1 1 -22 7  11 o 71.72699 2.561762  -11.31014      5.123523 
1 1 1 -22 7  12 o 74.14697 2.753901  -0.7782745     5.507803 
1 1 1 -22 7  13 f 58.23138 2.785797  6.796886       5.571594 
1 1 1 -22 7  14 f 50.74271 5.171278  -3.777012      10.34256 
1 1 1 -22 7  15 o 30.57712 4.596177  1.632301       9.192353 
1 1 1 -22 7  16 o 16.63625 4.709450  1.386041       9.418900 
1 1 1 -22 7  17 o 19.81462 5.170626  4.146433       10.34125 
1 1 1 -22 7  18 o 71.99281 4.059938  -2.029633      8.119877 
1 1 1 -22 7  19 o 46.09089 4.176385  -17.41313      8.352770 
1 1 1 -22 7  20 o 47.72774 3.414133  -3.356247      6.828266 
1 1 1 -22 7  21 o 34.79581 4.930317  -9.870012      9.860635 
1 1 1 -22 7  22 o 33.66288 5.169347  13.93701       10.33869 
1 1 1 -22 7  23 o 20.33643 5.666855  9.650685       11.33371 
1 1 1 -22 7  24 o 40.14231 5.309314  -14.61219      10.61863 
1 1 1 -22 7  25 o 29.29911 5.902050  -9.987438      11.80410 
1 1 1 -22 7  26 o 24.31481 5.693395  -11.69858      11.38679 
1 1 1 -22 7  27 o 23.54505 5.486784  -16.64207      10.97357 
1 1 1 -22 7  28 o 34.32577 5.218340  -16.91391      10.43668 
1 1 1 -22 7  29 x ?        ?         ?              ?        
1 1 1 -22 7  30 x ?        ?         ?              ?        
1 1 1 -22 7  31 x ?        ?         ?              ?        
1 1 1 -22 8  1  o 62.97242 3.632995  ?              ?        
1 1 1 -22 8  2  o 68.08517 3.236470  -4.083061      6.472940 
1 1 1 -22 8  3  o 43.47412 4.801981  -4.714603      9.603963 
1 1 1 -22 8  4  o 91.75696 2.927121  2.984581       5.854241 
1 1 1 -22 8  5  o 30.97200 4.702677  -10.54111      9.405354 
1 1 1 -22 8  6  o 61.52410 2.781262  -3.220608      5.562524 
1 1 1 -22 8  7  o 23.45479 4.968970  2.007750       9.937940 
1 1 1 -22 8  8  o 109.1636 2.349832  -1.706306      4.699664 
1 1 1 -22 8  9  o 70.00906 2.569680  9.221878       5.139360 
1 1 1 -22 8  10 o 42.60687 3.601673  -3.351280      7.203346 
1 1 1 -22 8  11 o 30.40101 5.483719  0.3116283      10.96744 
1 1 1 -22 8  12 o 21.12970 5.237176  -1.798073      10.47435 
1 1 1 -22 8  13 o 16.08359 4.843330  -5.334620      9.686661 
1 1 1 -22 8  14 o 85.41363 2.653799  -2.298645      5.307599 
1 1 1 -22 8  15 o 56.46713 3.237255  -5.379101      6.474510 
1 1 1 -22 8  16 o 24.69423 5.005509  -5.624081      10.01102 
1 1 1 -22 8  17 o 43.63733 3.510869  6.894943       7.021738 
1 1 1 -22 8  18 o 35.96307 5.392089  -9.150278      10.78418 
1 1 1 -22 8  19 o 19.37907 4.982796  -1.986269      9.965592 
1 1 1 -22 8  20 o 24.00539 5.959093  6.445665       11.91819 
1 1 1 -22 8  21 o 60.62450 3.113845  -11.79418      6.227691 
1 1 1 -22 8  22 o 19.51624 5.966581  7.388114       11.93316 
1 1 1 -22 8  23 o 26.52906 4.989341  -9.351851      9.978683 
1 1 1 -22 8  24 o 33.85164 5.103390  -26.44422      10.20678 
1 1 1 -22 8  25 o 59.62128 4.105989  -31.51186      8.211979 
1 1 1 -22 8  26 o 53.53078 4.667618  -37.12563      9.335236 
1 1 1 -22 8  27 o 20.16189 5.505272  -12.38724      11.01054 
1 1 1 -22 8  28 o 15.16721 4.921735  -4.336395      9.843471 
1 1 1 -22 8  29 x ?        ?         ?              ?        
1 1 1 -22 8  30 x ?        ?         ?              ?        
1 1 1 -22 8  31 x ?        ?         ?              ?        
1 1 1 -22 9  1  o 22.31669 8.941344  ?              ?        
1 1 1 -22 9  2  o 86.16359 3.129081  0.2400436      6.258161 
1 1 1 -22 9  3  o 31.85876 5.250535  -4.823128      10.50107 
1 1 1 -22 9  4  o 22.39603 5.923716  ?              ?        
1 1 1 -22 9  5  o 24.67128 5.391306  -1.091623      10.78261 
1 1 1 -22 9  6  o 76.30140 2.708536  -2.350418      5.417071 
1 1 1 -22 9  7  o 35.97125 4.341195  0.1909142      8.682390 
1 1 1 -22 9  8  o 38.25258 4.526804  -5.563515      9.053609 
1 1 1 -22 9  9  o 50.87215 3.468091  -2.849987      6.936182 
1 1 1 -22 9  10 o 23.11711 5.745952  11.63051       11.49190 
1 1 1 -22 9  11 o 68.33459 3.141629  -4.010384      6.283258 
1 1 1 -22 9  12 o 29.41581 5.806350  6.017920       11.61270 
1 1 1 -22 9  13 o 26.72971 4.789492  -17.12000      9.578983 
1 1 1 -22 9  14 o 34.45862 4.990585  -1.698788      9.981171 
1 1 1 -22 9  15 o 28.62085 4.615459  -15.70150      9.230919 
1 1 1 -22 9  16 o 35.17288 4.977703  -14.62830      9.955406 
1 1 1 -22 9  17 o 29.25174 4.967401  -8.647486      9.934802 
1 1 1 -22 9  18 o 41.68334 4.102642  5.038841       8.205283 
1 1 1 -22 9  19 o 27.03220 5.820579  3.699619       11.64116 
1 1 1 -22 9  20 o 62.14521 3.150154  -5.902626      6.300308 
1 1 1 -22 9  21 o 24.54416 6.303456  -5.837591      12.60691 
1 1 1 -22 9  22 o 29.67348 4.795710  -1.224258      9.591419 
1 1 1 -22 9  23 o 35.35744 4.798211  0.6200562      9.596421 
1 1 1 -22 9  24 o 36.60218 4.896880  -29.04101      9.793760 
1 1 1 -22 9  25 o 25.74629 5.396426  -10.45020      10.79285 
1 1 1 -22 9  26 o 21.30392 5.895186  -1.367483      11.79037 
1 1 1 -22 9  27 o 28.19897 4.515646  -32.23690      9.031293 
1 1 1 -22 9  28 x ?        ?         ?              ?        
1 1 1 -22 9  29 x ?        ?         ?              ?        
1 1 1 -22 9  30 x ?        ?         ?              ?        
1 1 1 -22 10 1  f 81.33559 3.198494  15.10191       6.396988 
1 1 1 -22 10 2  o 49.83265 4.187700  6.955624       8.375400 
1 1 1 -22 10 3  o 157.2139 3.185825  6.488251       6.371651 
1 1 1 -22 10 4  o 33.97318 5.365688  10.20191       10.73138 
1 1 1 -22 10 5  o 17.36086 5.422471  12.58444       10.84494 
1 1 1 -22 10 6  o 74.25111 3.355076  0.2102890      6.710153 
1 1 1 -22 10 7  o 15.78088 4.794539  -0.7661486     9.589078 
1 1 1 -22 10 8  o 63.96764 3.872176  -4.782990      7.744351 
1 1 1 -22 10 9  o 34.16472 4.513171  15.48967       9.026341 
1 1 1 -22 10 10 f 48.25787 4.016719  0.2675819      8.033439 
1 1 1 -22 10 11 f 69.88144 3.558670  -14.29924      7.117340 
1 1 1 -22 10 12 o 27.94102 11.15631  ?              ?        
1 1 1 -22 10 13 o 17.24697 5.143600  5.937325       10.28720 
1 1 1 -22 10 14 o 69.75688 3.047747  -0.1798630     6.095493 
1 1 1 -22 10 15 o 71.88531 3.061630  ?              ?        
1 1 1 -22 10 16 o 33.11512 4.919115  14.55515       9.838230 
1 1 1 -22 10 17 f 20.11031 5.142588  -3.812777      10.28518 
1 1 1 -22 10 18 o 21.27356 5.830791  8.422934       11.66158 
1 1 1 -22 10 19 o 49.95004 3.924002  -6.471085      7.848003 
1 1 1 -22 10 20 o 43.62811 4.745356  -7.268063      9.490711 
1 1 1 -22 10 21 o 76.39771 2.828230  -13.63583      5.656460 
1 1 1 -22 10 22 o 28.26877 4.320162  -22.78040      8.640324 
1 1 1 -22 10 23 f 55.82378 3.722057  -0.8064651     7.444114 
1 1 1 -22 10 24 o 58.32214 3.747954  -19.04050      7.495908 
1 1 1 -22 10 25 o 21.64626 5.475894  -8.770451      10.95179 
1 1 1 -22 10 26 o 21.88088 5.776142  -5.788364      11.55228 
1 1 1 -22 10 27 o 38.85759 4.988832  -31.24958      9.977664 
1 1 1 -22 10 28 x ?        ?         ?              ?        
1 1 1 -22 10 29 x ?        ?         ?              ?        
1 1 1 -22 10 30 x ?        ?         ?              ?        
1 1 1 -22 11 1  o 59.97786 3.612160  ?              ?        
1 1 1 -22 11 2  o 90.09412 3.268014  4.893188       6.536029 
1 1 1 -22 11 3  o 68.47987 3.668131  9.659103       7.336262 
1 1 1 -22 11 4  o 94.83180 3.407049  -3.465851      6.814099 
1 1 1 -22 11 5  o 34.57079 5.742278  -5.416218      11.48456 
1 1 1 -22 11 6  o 66.69533 3.569560  11.94167       7.139120 
1 1 1 -22 11 7  o 58.78786 4.124156  -17.44006      8.248313 
1 1 1 -22 11 8  o 23.87732 5.986487  2.146202       11.97297 
1 1 1 -22 11 9  o 40.04768 5.852181  -14.39201      11.70436 
1 1 1 -22 11 10 o 51.43435 4.966493  -3.035881      9.932986 
1 1 1 -22 11 11 o 29.63735 5.928944  -8.341854      11.85789 
1 1 1 -22 11 12 o 28.24123 5.457274  -0.4231796     10.91455 
1 1 1 -22 11 13 o 56.42778 3.559796  2.390213       7.119592 
1 1 1 -22 11 14 o 77.27640 3.136150  -5.412743      6.272301 
1 1 1 -22 11 15 o 19.86891 5.145020  -3.533379      10.29004 
1 1 1 -22 11 16 o 59.73486 3.346415  -3.525890      6.692831 
1 1 1 -22 11 17 o 18.41123 5.539723  12.80684       11.07945 
1 1 1 -22 11 18 o 26.17882 5.272218  -11.96750      10.54444 
1 1 1 -22 11 19 o 28.68773 5.313000  -19.55660      10.62600 
1 1 1 -22 11 20 o 24.13841 4.430351  -14.71293      8.860702 
1 1 1 -22 11 21 o 18.89237 4.773052  -3.240080      9.546104 
1 1 1 -22 11 22 o 45.91521 4.269206  -9.255199      8.538411 
1 1 1 -22 11 23 o 37.80051 4.296908  2.792980       8.593817 
1 1 1 -22 11 24 o 17.41578 5.164489  -3.515079      10.32898 
1 1 1 -22 11 25 o 19.51110 5.545172  -4.876348      11.09034 
1 1 1 -22 11 26 o 28.28451 5.776634  -18.56469      11.55327 
1 1 1 -22 11 27 x ?        ?         ?              ?        
1 1 1 -22 11 28 x ?        ?         ?              ?        
1 1 1 -22 11 29 x ?        ?         ?              ?        
1 1 1 -22 12 1  o 28.57378 4.845995  -19.86250      9.691990 
1 1 1 -22 12 2  o 24.63211 8.656785  ?              ?        
1 1 1 -22 12 3  o 48.55937 4.721500  -4.031223      9.443000 
1 1 1 -22 12 4  o 53.67577 4.155114  11.07079       8.310228 
1 1 1 -22 12 5  o 80.85090 3.531025  8.198120       7.062051 
1 1 1 -22 12 6  o 59.43606 4.273870  -12.87355      8.547739 
1 1 1 -22 12 7  o 75.33604 3.633690  12.80694       7.267380 
1 1 1 -22 12 8  o 22.69256 9.301304  ?              ?        
1 1 1 -22 12 9  o 69.23763 3.871766  -5.980377      7.743532 
1 1 1 -22 12 10 o 15.03385 6.372518  ?              ?        
1 1 1 -22 12 11 o 36.87672 5.600763  10.13255       11.20153 
1 1 1 -22 12 12 o 37.12522 5.690132  -14.70620      11.38026 
1 1 1 -22 12 13 o 78.31981 3.025556  -7.564064      6.051112 
1 1 1 -22 12 14 f 28.55370 5.260573  -10.17348      10.52115 
1 1 1 -22 12 15 o 57.62494 3.368211  2.592293       6.736423 
1 1 1 -22 12 16 o 39.71051 5.356321  -2.480267      10.71264 
1 1 1 -22 12 17 o 23.65432 4.674083  -18.57059      9.348166 
1 1 1 -22 12 18 o 41.66156 6.873822  ?              ?        
1 1 1 -22 12 19 o 22.52934 6.019194  12.62022       12.03839 
1 1 1 -22 12 20 o 41.66398 5.593176  -6.386204      11.18635 
1 1 1 -22 12 21 o 25.24694 4.778292  12.16963       9.556584 
1 1 1 -22 12 22 o 21.70512 5.189576  0.4832287      10.37915 
1 1 1 -22 12 23 o 16.03901 4.044645  -12.19896      8.089290 
1 1 1 -22 12 24 o 18.99980 4.546484  -11.67372      9.092968 
1 1 1 -22 12 25 o 26.69544 5.425968  -14.99471      10.85194 
1 1 1 -22 12 26 x ?        ?         ?              ?        
1 1 1 -22 12 27 x ?        ?         ?              ?        
1 1 1 -22 12 28 x ?        ?         ?              ?        
1 1 1 -22 13 1  o 23.61006 5.753162  0.6122608      11.50632 
1 1 1 -22 13 2  o 41.36334 7.899902  ?              ?        
1 1 1 -22 13 3  o 69.01617 3.789626  10.06184       7.579252 
1 1 1 -22 13 4  o 33.73071 5.432749  -19.36763      10.86550 
1 1 1 -22 13 5  o 25.32213 5.547591  -8.315987      11.09518 
1 1 1 -22 13 6  o 19.91438 8.819854  ?              ?        
1 1 1 -22 13 7  o 20.14849 5.904386  5.507082       11.80877 
1 1 1 -22 13 8  f 63.38733 4.467976  -15.17562      8.935951 
1 1 1 -22 13 9  o 26.14740 6.193588  1.981470       12.38718 
1 1 1 -22 13 10 o 41.91945 5.571336  -12.59095      11.14267 
1 1 1 -22 13 11 o 49.21066 4.822482  -7.426144      9.644963 
1 1 1 -22 13 12 o 55.17260 4.312682  -5.164925      8.625364 
1 1 1 -22 13 13 o 27.23040 6.187339  10.12378       12.37468 
1 1 1 -22 13 14 o 61.20538 3.911564  -8.479748      7.823128 
1 1 1 -22 13 15 o 29.09962 4.904684  -19.61113      9.809368 
1 1 1 -22 13 16 o 25.99911 5.197642  -15.60669      10.39528 
1 1 1 -22 13 17 o 47.88694 4.180660  -6.457909      8.361320 
1 1 1 -22 13 18 o 29.23315 6.046009  2.398344       12.09202 
1 1 1 -22 13 19 x ?        ?         ?              ?        
1 1 1 -22 13 20 o 21.06702 5.874438  13.09236       11.74888 
1 1 1 -22 13 21 o 32.53745 4.150173  -22.76250      8.300345 
1 1 1 -22 13 22 o 21.30750 5.268685  7.890949       10.53737 
1 1 1 -22 13 23 o 20.07217 5.070886  7.691328       10.14177 
1 1 1 -22 13 24 o 29.01916 5.064959  -11.68400      10.12992 
1 1 1 -22 13 25 x ?        ?         ?              ?        
1 1 1 -22 13 26 x ?        ?         ?              ?        
1 1 1 -22 13 27 x ?        ?         ?              ?        
1 1 1 -22 14 1  o 17.13013 5.257531  11.33942       10.51506 
1 1 1 -22 14 2  o 33.39643 5.788999  10.40066       11.57800 
1 1 1 -22 14 3  o 22.33315 5.348278  -7.475792      10.69656 
1 1 1 -22 14 4  o 38.61439 5.711446  22.25249       11.42289 
1 1 1 -22 14 5  o 52.92934 5.050922  0.2961388      10.10184 
1 1 1 -22 14 6  o 17.49146 5.113919  -3.159879      10.22784 
1 1 1 -22 14 7  o 17.25216 6.831710  ?              ?        
1 1 1 -22 14 8  o 17.14295 5.347667  10.82322       10.69533 
1 1 1 -22 14 9  o 34.73222 5.403772  -14.40706      10.80754 
1 1 1 -22 14 10 o 23.87629 5.612320  -5.775328      11.22464 
1 1 1 -22 14 11 o 32.89172 5.866650  21.87589       11.73330 
1 1 1 -22 14 12 o 30.47637 5.671526  21.46614       11.34305 
1 1 1 -22 14 13 o 21.87223 5.592917  15.02871       11.18583 
1 1 1 -22 14 14 o 18.64946 5.470447  1.489334       10.94089 
1 1 1 -22 14 15 o 38.92508 5.717275  -13.75223      11.43455 
1 1 1 -22 14 16 o 72.98041 3.805582  -9.402840      7.611164 
1 1 1 -22 14 17 o 52.46377 3.865532  -8.733334      7.731064 
1 1 1 -22 14 18 o 27.80860 4.923277  -8.487000      9.846554 
1 1 1 -22 14 19 o 18.23165 4.862489  2.310902       9.724977 
1 1 1 -22 14 20 o 18.83332 4.638727  -5.295103      9.277454 
1 1 1 -22 14 21 o 29.34480 4.419638  -1.447054      8.839276 
1 1 1 -22 14 22 o 22.90381 4.434939  -16.43423      8.869879 
1 1 1 -22 14 23 o 13.18492 4.418887  -6.459957      8.837774 
1 1 1 -22 14 24 o 43.37424 5.685755  ?              ?        
1 1 1 -22 14 25 x ?        ?         ?              ?        
1 1 1 -22 14 26 x ?        ?         ?              ?        
1 1 1 -22 14 27 x ?        ?         ?              ?        
1 1 1 -22 15 1  o 53.02091 4.057101  -5.010170      8.114202 
1 1 1 -22 15 2  o 52.74197 4.858490  -15.57804      9.716979 
1 1 1 -22 15 3  o 15.32724 5.005136  -0.2789497     10.01027 
1 1 1 -22 15 4  o 18.04433 5.371626  7.513102       10.74325 
1 1 1 -22 15 5  o 27.30004 5.866850  -2.517542      11.73370 
1 1 1 -22 15 6  o 20.03873 5.951558  7.611395       11.90312 
1 1 1 -22 15 7  o 19.43896 5.760744  8.548108       11.52149 
1 1 1 -22 15 8  o 19.68343 5.178016  -6.906202      10.35603 
1 1 1 -22 15 9  f 59.22570 3.907707  9.529816       7.815415 
1 1 1 -22 15 10 o 43.75758 5.260030  -12.14334      10.52006 
1 1 1 -22 15 11 o 56.04117 4.234867  -8.835529      8.469734 
1 1 1 -22 15 12 o 35.23759 5.373997  -2.621208      10.74799 
1 1 1 -22 15 13 o 26.36273 6.400039  -0.3029022     12.80008 
1 1 1 -22 15 14 o 23.64809 6.104933  1.714472       12.20987 
1 1 1 -22 15 15 o 26.70326 6.706666  ?              ?        
1 1 1 -22 15 16 f 31.12170 4.902379  -12.31819      9.804758 
1 1 1 -22 15 17 o 16.35917 4.779700  2.406943       9.559401 
1 1 1 -22 15 18 o 18.23218 5.004397  -0.9062576     10.00879 
1 1 1 -22 15 19 o 31.67773 4.643433  -17.26577      9.286865 
1 1 1 -22 15 20 f 38.42640 4.592286  -21.60429      9.184571 
1 1 1 -22 15 21 o 13.83153 4.346865  -2.240980      8.693730 
1 1 1 -22 15 22 o 17.15615 4.955629  -9.041547      9.911259 
1 1 1 -22 15 23 o 11.92075 5.597099  ?              ?        
1 1 1 -22 15 24 x ?        ?         ?              ?        
1 1 1 -22 15 25 x ?        ?         ?              ?        
1 1 1 -22 15 26 x ?        ?         ?              ?        
1 1 1 -22 16 1  o 55.06551 4.350730  -8.818020      8.701461 
1 1 1 -22 16 2  o 17.55162 5.043147  -2.787746      10.08629 
1 1 1 -22 16 3  o 15.49295 6.672956  ?              ?        
1 1 1 -22 16 4  o 13.00652 5.913524  ?              ?        
1 1 1 -22 16 5  f 25.24443 5.493485  -5.797897      10.98697 
1 1 1 -22 16 6  o 23.69279 5.154216  -10.39885      10.30843 
1 1 1 -22 16 7  o 28.86263 5.652979  -2.796432      11.30596 
1 1 1 -22 16 8  o 45.74265 5.072670  -8.605618      10.14534 
1 1 1 -22 16 9  o 38.91466 4.974133  9.250492       9.948267 
1 1 1 -22 16 10 o 21.03791 5.574365  -1.788822      11.14873 
1 1 1 -22 16 11 o 34.55693 5.255361  0.2789841      10.51072 
1 1 1 -22 16 12 o 35.06919 9.088135  ?              ?        
1 1 1 -22 16 13 o 32.26646 5.271578  -3.082682      10.54316 
1 1 1 -22 16 14 o 26.67287 6.156280  ?              ?        
1 1 1 -22 16 15 o 19.56594 4.574713  -12.12978      9.149426 
1 1 1 -22 16 16 o 22.98685 5.279115  -3.219305      10.55823 
1 1 1 -22 16 17 o 17.96767 4.934620  -2.690527      9.869241 
1 1 1 -22 16 18 o 27.98969 4.920492  -4.434849      9.840983 
1 1 1 -22 16 19 o 19.71938 4.396787  -12.39473      8.793573 
1 1 1 -22 16 20 o 18.51936 5.033936  3.421593       10.06787 
1 1 1 -22 16 21 o 33.49051 5.409833  -5.143930      10.81967 
1 1 1 -22 16 22 x ?        ?         ?              ?        
1 1 1 -22 16 23 x ?        ?         ?              ?        
1 1 1 -22 16 24 x ?        ?         ?              ?        
1 1 1 -22 17 1  o 20.98192 4.904722  -9.201414      9.809444 
1 1 1 -22 17 2  f 39.61052 4.832790  ?              ?        
1 1 1 -22 17 3  o 37.02267 5.550635  4.784370       11.10127 
1 1 1 -22 17 4  f 26.92972 5.342770  -6.640509      10.68554 
1 1 1 -22 17 5  o 15.81422 4.622455  -5.086524      9.244910 
1 1 1 -22 17 6  o 28.66254 5.028244  -12.78586      10.05649 
1 1 1 -22 17 7  o 17.89284 5.147337  1.058632       10.29467 
1 1 1 -22 17 8  o 22.87047 5.125766  -7.444321      10.25153 
1 1 1 -22 17 9  o 24.14667 5.158926  -8.046743      10.31785 
1 1 1 -22 17 10 o 15.63718 7.100430  ?              ?        
1 1 1 -22 17 11 o 18.68154 5.439305  0.4897060      10.87861 
1 1 1 -22 17 12 o 18.98482 5.053874  -4.881197      10.10775 
1 1 1 -22 17 13 o 16.93150 4.515424  -8.944106      9.030849 
1 1 1 -22 17 14 o 15.24618 4.567833  -0.5121670     9.135666 
1 1 1 -22 17 15 o 24.03823 4.379185  -15.86196      8.758370 
1 1 1 -22 17 16 o 32.13406 4.650283  -17.56868      9.300566 
1 1 1 -22 17 17 o 19.98775 4.867226  6.743961       9.734451 
1 1 1 -22 17 18 o 18.36022 4.685813  2.404430       9.371626 
1 1 1 -22 17 19 o 15.17607 4.584574  3.119262       9.169147 
1 1 1 -22 17 20 o 11.17347 5.329862  ?              ?        
1 1 1 -22 17 21 x ?        ?         ?              ?        
1 1 1 -22 17 22 x ?        ?         ?              ?        
1 1 1 -22 17 23 x ?        ?         ?              ?        
1 1 1 -22 18 1  o 21.51680 5.175461  14.81353       10.35092 
1 1 1 -22 18 2  o 30.65298 4.751749  -2.062250      9.503498 
1 1 1 -22 18 3  o 16.87663 4.908966  1.741058       9.817931 
1 1 1 -22 18 4  o 24.98532 5.443906  3.397955       10.88781 
1 1 1 -22 18 5  o 14.54054 4.499835  11.59978       8.999671 
1 1 1 -22 18 6  o 57.99683 3.881955  -21.81461      7.763909 
1 1 1 -22 18 7  o 30.77826 4.481263  -21.10506      8.962526 
1 1 1 -22 18 8  o 21.84135 7.616006  ?              ?        
1 1 1 -22 18 9  o 17.70515 4.425766  -11.75490      8.851531 
1 1 1 -22 18 10 o 17.68049 4.877662  -0.7536888     9.755323 
1 1 1 -22 18 11 o 21.46629 6.767538  ?              ?        
1 1 1 -22 18 12 o 16.13374 4.643597  -2.083450      9.287194 
1 1 1 -22 18 13 o 16.44691 4.618779  5.816735       9.237557 
1 1 1 -22 18 14 o 15.29328 4.109875  -9.516671      8.219750 
1 1 1 -22 18 15 o 14.94259 4.385235  -1.037500      8.770470 
1 1 1 -22 18 16 o 14.36466 4.226310  -4.829739      8.452621 
1 1 1 -22 18 17 o 14.30293 4.257360  4.656231       8.514721 
1 1 1 -22 18 18 o 14.96009 4.644990  0.5111990      9.289980 
1 1 1 -22 18 19 o 10.25844 5.038223  ?              ?        
1 1 1 -22 18 20 x ?        ?         ?              ?        
1 1 1 -22 18 21 x ?        ?         ?              ?        
1 1 1 -22 18 22 x ?        ?         ?              ?        
1 1 1 -22 19 1  o 21.27383 4.618436  -1.448378      9.236872 
1 1 1 -22 19 2  o 20.18133 4.640038  5.948610       9.280075 
1 1 1 -22 19 3  o 13.98082 4.266550  2.934009       8.533099 
1 1 1 -22 19 4  o 12.25732 5.742282  ?              ?        
1 1 1 -22 19 5  o 23.10425 5.079369  -6.730925      10.15874 
1 1 1 -22 19 6  o 14.87134 6.601942  ?              ?        
1 1 1 -22 19 7  o 15.92154 4.755670  3.107026       9.511339 
1 1 1 -22 19 8  o 16.26628 6.806993  ?              ?        
1 1 1 -22 19 9  o 12.93619 5.609750  ?              ?        
1 1 1 -22 19 10 o 13.45607 4.188146  -0.4365358     8.376291 
1 1 1 -22 19 11 o 11.51671 3.795078  3.184128       7.590155 
1 1 1 -22 19 12 o 14.40077 4.321346  -1.473146      8.642693 
1 1 1 -22 19 13 o 11.44849 3.762120  4.109040       7.524240 
1 1 1 -22 19 14 o 25.76823 4.139917  -18.48425      8.279834 
1 1 1 -22 19 15 f 22.87362 4.428719  -10.74629      8.857437 
1 1 1 -22 19 16 o 26.35016 5.644842  3.833223       11.28968 
1 1 1 -22 19 17 o 19.38667 7.065617  ?              ?        
1 1 1 -22 19 18 x ?        ?         ?              ?        
1 1 1 -22 19 19 x ?        ?         ?              ?        
1 1 1 -22 19 20 x ?        ?         ?              ?        
1 1 1 -22 20 1  o 12.97365 3.961057  -2.449007      7.922114 
1 1 1 -22 20 2  o 12.29635 3.967981  4.061704       7.935962 
1 1 1 -22 20 3  o 13.24353 4.149164  1.289036       8.298327 
1 1 1 -22 20 4  o 22.64778 8.347140  ?              ?        
1 1 1 -22 20 5  o 32.20628 4.179438  -8.768101      8.358876 
1 1 1 -22 20 6  o 18.57353 4.371357  -8.358519      8.742715 
1 1 1 -22 20 7  o 8.933599 4.335783  ?              ?        
1 1 1 -22 20 8  o 14.88050 4.312584  -3.646427      8.625168 
1 1 1 -22 20 9  o 17.80081 4.634174  0.8221893      9.268349 
1 1 1 -22 20 10 o 15.27978 4.275702  8.222507       8.551403 
1 1 1 -22 20 11 o 12.13128 3.860461  1.830140       7.720923 
1 1 1 -22 20 12 o 24.83010 4.634688  -2.327934      9.269376 
1 1 1 -22 20 13 o 14.16455 4.237187  0.7644787      8.474375 
1 1 1 -22 20 14 o 13.95907 4.023802  -6.815981      8.047605 
1 1 1 -22 20 15 o 20.73261 6.902544  ?              ?        
1 1 1 -22 20 16 o 13.58629 6.087824  ?              ?        
1 1 1 -22 20 17 x ?        ?         ?              ?        
1 1 1 -22 20 18 x ?        ?         ?              ?        
1 1 1 -22 21 1  o 12.10073 4.089850  -3.821310      8.179701 
1 1 1 -22 21 2  o 17.06163 5.144912  -4.661168      10.28982 
1 1 1 -22 21 3  o 11.89893 3.858285  2.421424       7.716570 
1 1 1 -22 21 4  o 11.75369 5.248716  ?              ?        
1 1 1 -22 21 5  o 13.75634 4.131909  -2.756846      8.263818 
1 1 1 -22 21 6  o 26.10061 4.332407  -7.780628      8.664814 
1 1 1 -22 21 7  o 34.56026 4.078989  -5.182394      8.157978 
1 1 1 -22 21 8  o 13.71011 4.136067  -1.066066      8.272134 
1 1 1 -22 21 9  o 12.30787 3.937165  4.552512       7.874330 
1 1 1 -22 21 10 o 11.79943 3.829798  0.2227516      7.659595 
1 1 1 -22 21 11 o 9.739695 3.345362  1.629073       6.690725 
1 1 1 -22 21 12 o 16.42749 4.508809  -1.570517      9.017617 
1 1 1 -22 21 13 o 11.39719 5.402451  ?              ?        
1 1 1 -22 21 14 o 22.79550 7.334676  ?              ?        
1 1 1 -22 21 15 x ?        ?         ?              ?        
1 1 1 -22 22 3  o 24.93421 4.638016  -3.212543      9.276032 
1 1 1 -22 22 4  o 14.56213 4.358530  6.512996       8.717060 
1 1 1 -22 22 5  o 16.02140 4.406336  -3.785868      8.812672 
1 1 1 -22 22 6  o 10.93176 3.571379  -3.237975      7.142758 
1 1 1 -22 22 7  f 20.16530 4.437943  -10.47292      8.875885 
1 1 1 -22 22 8  o 21.99764 4.716078  -3.221945      9.432157 
1 1 1 -22 22 9  o 10.80108 3.579069  1.381313       7.158138 
1 1 1 -22 22 10 o 14.64509 6.365312  ?              ?        
1 1 1 -21 0  1  o 45.32072 3.201029  0.000000       0.000000 
1 1 1 -21 0  2  o 25.18941 5.261012  0.000000       0.000000 
1 1 1 -21 0  3  o 14.11999 6.765781  0.000000       0.000000 
1 1 1 -21 0  4  o 61.82872 2.646201  -0.000000      0.000000 
1 1 1 -21 0  5  f 13.24271 6.696205  0.000000       0.000000 
1 1 1 -21 0  6  o 13.45130 6.761296  0.000000       0.000000 
1 1 1 -21 0  7  o 65.48419 2.638361  -0.000000      0.000000 
1 1 1 -21 0  8  o 148.9007 2.732066  -0.000000      0.000000 
1 1 1 -21 0  9  o 28.36956 6.492430  0.000000       0.000000 
1 1 1 -21 0  10 o 11.03817 6.385589  0.000000       0.000000 
1 1 1 -21 0  11 o 116.5244 2.548843  0.000000       0.000000 
1 1 1 -21 0  12 o 190.6695 3.129102  0.000000       0.000000 
1 1 1 -21 0  13 o 90.97230 2.521718  0.000000       0.000000 
1 1 1 -21 0  14 o 10.85088 6.434199  0.000000       0.000000 
1 1 1 -21 0  15 o 6.682747 4.724585  0.000000       0.000000 
1 1 1 -21 0  16 o 9.439941 5.981036  -0.000000      0.000000 
1 1 1 -21 0  17 o 28.14293 8.016979  -0.000000      0.000000 
1 1 1 -21 0  18 o 41.70361 3.642000  0.000000       0.000000 
1 1 1 -21 0  19 f 27.01858 5.863097  -0.000000      0.000000 
1 1 1 -21 0  20 o 8.121700 5.647388  0.000000       0.000000 
1 1 1 -21 0  21 o 38.90133 4.755363  0.000000       0.000000 
1 1 1 -21 0  22 o 60.51725 5.726820  -0.000000      0.000000 
1 1 1 -21 0  23 o 15.64162 9.505600  -0.000000      0.000000 
1 1 1 -21 0  24 o 14.69061 9.134771  0.000000       0.000000 
1 1 1 -21 0  25 x ?        ?         ?              ?        
1 1 1 -21 0  26 o 16.14046 9.862769  -0.000000      0.000000 
1 1 1 -21 0  27 o 12.50365 8.277176  0.000000       0.000000 
1 1 1 -21 0  28 o 9.045350 6.429557  0.000000       0.000000 
1 1 1 -21 0  29 o 34.65549 5.518423  0.000000       0.000000 
1 1 1 -21 0  30 o 12.49803 7.461025  -0.000000      0.000000 
1 1 1 -21 0  31 o 14.73507 8.943912  0.000000       0.000000 
1 1 1 -21 0  32 x ?        ?         ?              ?        
1 1 1 -21 0  33 x ?        ?         ?              ?        
1 1 1 -21 1  1  o 79.77452 1.775787  -1.919846      3.551573 
1 1 1 -21 1  2  o 43.77468 2.114761  5.241592       4.229522 
1 1 1 -21 1  3  o 56.04449 1.930187  -1.231659      3.860374 
1 1 1 -21 1  4  o 92.82878 1.761171  3.673218       3.522343 
1 1 1 -21 1  5  o 109.2537 1.743227  -4.997437      3.486453 
1 1 1 -21 1  6  o 104.3332 1.740671  -0.2737808     3.481343 
1 1 1 -21 1  7  o 141.2498 2.310752  -3.216766      4.621503 
1 1 1 -21 1  8  o 142.8721 1.896138  0.7020264      3.792275 
1 1 1 -21 1  9  o 73.91142 2.215310  7.736580       4.430621 
1 1 1 -21 1  10 o 38.13052 2.616892  -14.38269      5.233784 
1 1 1 -21 1  11 o 127.4081 1.828808  0.3658829      3.657617 
1 1 1 -21 1  12 o 25.39637 3.541610  -7.995047      7.083220 
1 1 1 -21 1  13 o 12.29986 3.636364  -2.785912      7.272729 
1 1 1 -21 1  14 o 43.56828 3.499386  ?              ?        
1 1 1 -21 1  15 f 95.89905 2.456488  7.293221       4.912976 
1 1 1 -21 1  16 o 77.02175 1.930025  -4.069183      3.860051 
1 1 1 -21 1  17 o 108.7386 3.399318  ?              ?        
1 1 1 -21 1  18 o 30.90108 3.246321  -2.017305      6.492642 
1 1 1 -21 1  19 o 55.67356 2.287029  0.3036613      4.574058 
1 1 1 -21 1  20 o 28.44024 4.020586  2.167109       8.041173 
1 1 1 -21 1  21 o 36.57654 3.387351  -2.815678      6.774702 
1 1 1 -21 1  22 o 76.25153 3.618708  0.8510590E-01  7.237416 
1 1 1 -21 1  23 o 77.40508 3.726732  1.503868       7.453463 
1 1 1 -21 1  24 o 65.83788 3.846923  -2.988564      7.693846 
1 1 1 -21 1  25 x ?        ?         ?              ?        
1 1 1 -21 1  26 o 18.60021 5.439603  8.203768       10.87921 
1 1 1 -21 1  27 o 22.91798 5.868361  -4.986807      11.73672 
1 1 1 -21 1  28 o 24.21220 5.564638  15.38243       11.12928 
1 1 1 -21 1  29 o 14.64954 4.373364  0.9977226      8.746729 
1 1 1 -21 1  30 o 13.01036 4.309201  -0.8679914     8.618402 
1 1 1 -21 1  31 o 14.89821 4.856887  -4.129850      9.713774 
1 1 1 -21 1  32 x ?        ?         ?              ?        
1 1 1 -21 1  33 x ?        ?         ?              ?        
1 1 1 -21 2  1  o 106.2141 1.774082  -1.214317      3.548165 
1 1 1 -21 2  2  o 144.4634 1.916587  -0.9685974     3.833174 
1 1 1 -21 2  3  o 178.0288 2.120819  5.782349       4.241638 
1 1 1 -21 2  4  o 32.19511 2.712456  1.640156       5.424912 
1 1 1 -21 2  5  o 51.91484 2.239124  ?              ?        
1 1 1 -21 2  6  f 45.93372 2.772074  -5.337341      5.544148 
1 1 1 -21 2  7  o 14.80690 3.978386  3.466178       7.956772 
1 1 1 -21 2  8  o 54.63739 2.212956  -1.266159      4.425911 
1 1 1 -21 2  9  o 104.9342 1.808845  3.276833       3.617689 
1 1 1 -21 2  10 o 56.68277 3.196231  ?              ?        
1 1 1 -21 2  11 o 23.77568 3.757622  0.6332798      7.515244 
1 1 1 -21 2  12 o 81.67734 1.832436  -1.953987      3.664871 
1 1 1 -21 2  13 o 64.79894 2.012153  -6.895176      4.024306 
1 1 1 -21 2  14 o 40.54712 2.602458  7.925259       5.204915 
1 1 1 -21 2  15 o 17.13130 5.077906  2.950701       10.15581 
1 1 1 -21 2  16 o 14.44440 4.090009  -2.177189      8.180018 
1 1 1 -21 2  17 o 62.15100 3.405650  ?              ?        
1 1 1 -21 2  18 o 58.61189 2.327349  -4.176044      4.654698 
1 1 1 -21 2  19 o 50.96018 2.516437  -1.385540      5.032875 
1 1 1 -21 2  20 o 101.7701 2.048950  9.803650       4.097900 
1 1 1 -21 2  21 o 53.27268 2.625237  0.5892715      5.250473 
1 1 1 -21 2  22 o 90.33861 3.441941  -6.330826      6.883882 
1 1 1 -21 2  23 o 58.55676 4.069179  3.660484       8.138357 
1 1 1 -21 2  24 o 35.91085 5.936416  12.75163       11.87283 
1 1 1 -21 2  25 x ?        ?         ?              ?        
1 1 1 -21 2  26 o 51.48275 4.340631  -8.359550      8.681261 
1 1 1 -21 2  27 o 25.84388 6.192897  6.484583       12.38579 
1 1 1 -21 2  28 f 21.66434 5.886325  2.694000       11.77265 
1 1 1 -21 2  29 o 13.68025 4.223603  2.304464       8.447206 
1 1 1 -21 2  30 o 19.63731 5.218876  -15.24082      10.43775 
1 1 1 -21 2  31 o 14.44288 4.716260  5.050771       9.432521 
1 1 1 -21 2  32 x ?        ?         ?              ?        
1 1 1 -21 2  33 x ?        ?         ?              ?        
1 1 1 -21 3  1  f 100.1365 1.814300  -4.310997      3.628599 
1 1 1 -21 3  2  o 108.2051 1.800505  -5.525009      3.601009 
1 1 1 -21 3  3  o 55.86660 2.038116  -3.525253      4.076232 
1 1 1 -21 3  4  o 72.52307 1.866294  -12.80969      3.732587 
1 1 1 -21 3  5  o 39.37814 2.585724  -5.904354      5.171449 
1 1 1 -21 3  6  f 50.09345 3.039087  -1.250107      6.078174 
1 1 1 -21 3  7  o 80.77214 1.818176  5.903923       3.636351 
1 1 1 -21 3  8  o 131.3023 2.693359  4.475128       5.386718 
1 1 1 -21 3  9  o 66.90526 1.973085  -11.14573      3.946170 
1 1 1 -21 3  10 o 27.43791 3.252937  5.508951       6.505874 
1 1 1 -21 3  11 o 93.37598 1.842242  -5.093605      3.684485 
1 1 1 -21 3  12 o 101.4953 1.850024  1.649544       3.700048 
1 1 1 -21 3  13 o 112.9093 1.894904  6.348083       3.789807 
1 1 1 -21 3  14 o 82.69466 1.930977  -2.096458      3.861953 
1 1 1 -21 3  15 o 77.55177 2.986228  -10.42064      5.972455 
1 1 1 -21 3  16 o 50.42875 2.416569  -0.8630142     4.833138 
1 1 1 -21 3  17 o 35.90228 4.287220  ?              ?        
1 1 1 -21 3  18 o 31.17338 3.735211  ?              ?        
1 1 1 -21 3  19 o 54.56215 2.396590  2.948837       4.793180 
1 1 1 -21 3  20 o 26.98342 4.178032  -15.22635      8.356065 
1 1 1 -21 3  21 o 82.85063 2.240107  -2.021248      4.480214 
1 1 1 -21 3  22 o 80.63387 3.553757  -6.394165      7.107514 
1 1 1 -21 3  23 o 60.69135 3.947837  -8.923573      7.895673 
1 1 1 -21 3  24 o 24.59190 5.589969  17.91905       11.17994 
1 1 1 -21 3  25 x ?        ?         ?              ?        
1 1 1 -21 3  26 o 14.68513 4.827176  0.1903629      9.654352 
1 1 1 -21 3  27 o 32.19028 5.940990  6.452065       11.88198 
1 1 1 -21 3  28 o 33.53742 5.858586  7.482876       11.71717 
1 1 1 -21 3  29 o 32.37234 4.237790  -22.04145      8.475580 
1 1 1 -21 3  30 f 15.86922 5.071462  -1.223265      10.14292 
1 1 1 -21 3  31 o 15.04508 4.906619  -7.339300      9.813238 
1 1 1 -21 3  32 x ?        ?         ?              ?        
1 1 1 -21 3  33 x ?        ?         ?              ?        
1 1 1 -21 4  1  o 44.50282 2.488927  -3.623322      4.977855 
1 1 1 -21 4  2  o 29.88597 2.883249  9.909313       5.766498 
1 1 1 -21 4  3  o 15.15140 3.965649  7.154610       7.931298 
1 1 1 -21 4  4  o 107.8045 1.886911  -6.254379      3.773822 
1 1 1 -21 4  5  o 19.69573 3.966167  -4.318367      7.932333 
1 1 1 -21 4  6  o 71.99217 2.165498  -9.060341      4.330996 
1 1 1 -21 4  7  f 19.32537 3.871379  -3.877666      7.742759 
1 1 1 -21 4  8  o 78.88911 2.691507  0.1117935      5.383014 
1 1 1 -21 4  9  o 63.47131 2.101573  -3.905106      4.203146 
1 1 1 -21 4  10 o 31.53600 3.482313  -13.10620      6.964627 
1 1 1 -21 4  11 o 43.84047 2.867001  -14.71660      5.734003 
1 1 1 -21 4  12 o 68.01543 2.071814  -1.213150      4.143628 
1 1 1 -21 4  13 o 94.93294 1.949182  -5.203522      3.898363 
1 1 1 -21 4  14 o 131.5302 2.026272  -3.793167      4.052544 
1 1 1 -21 4  15 o 56.58467 2.662468  -3.616753      5.324936 
1 1 1 -21 4  16 o 27.74096 3.861003  15.82802       7.722006 
1 1 1 -21 4  17 o 52.97202 3.697744  3.601433       7.395487 
1 1 1 -21 4  18 o 35.51082 3.969047  -8.481195      7.938095 
1 1 1 -21 4  19 o 75.54102 2.297754  -3.475983      4.595507 
1 1 1 -21 4  20 o 68.98933 2.518200  -3.296661      5.036400 
1 1 1 -21 4  21 o 27.47095 4.634394  11.44304       9.268788 
1 1 1 -21 4  22 o 65.13875 3.957067  -2.474068      7.914134 
1 1 1 -21 4  23 o 30.99434 6.077972  17.66807       12.15594 
1 1 1 -21 4  24 o 34.99326 5.867132  -4.806408      11.73426 
1 1 1 -21 4  25 o 30.05382 6.083486  -5.038078      12.16697 
1 1 1 -21 4  26 o 28.08541 5.925138  -8.427387      11.85028 
1 1 1 -21 4  27 o 37.23419 5.399700  -19.30480      10.79940 
1 1 1 -21 4  28 o 24.78236 5.836415  1.929394       11.67283 
1 1 1 -21 4  29 o 28.21390 4.568019  -12.58845      9.136038 
1 1 1 -21 4  30 o 24.81154 5.927183  6.775068       11.85437 
1 1 1 -21 4  31 x ?        ?         ?              ?        
1 1 1 -21 4  32 x ?        ?         ?              ?        
1 1 1 -21 4  33 x ?        ?         ?              ?        
1 1 1 -21 5  1  o 47.81619 2.855989  -18.60302      5.711979 
1 1 1 -21 5  2  o 14.40798 4.107003  3.977317       8.214006 
1 1 1 -21 5  3  o 18.62198 4.161880  1.563482       8.323761 
1 1 1 -21 5  4  o 9.989601 3.378643  3.979092       6.757285 
1 1 1 -21 5  5  o 72.74088 2.021245  -0.1094666     4.042490 
1 1 1 -21 5  6  o 28.63829 3.821805  -7.001732      7.643610 
1 1 1 -21 5  7  o 31.84921 3.763652  -3.621578      7.527304 
1 1 1 -21 5  8  o 40.26929 2.971699  -0.2964859     5.943398 
1 1 1 -21 5  9  o 123.0237 2.012102  -8.093307      4.024204 
1 1 1 -21 5  10 o 68.00747 2.223180  -10.68512      4.446361 
1 1 1 -21 5  11 o 29.65761 3.808793  -16.47140      7.617586 
1 1 1 -21 5  12 o 20.36266 4.314552  14.30544       8.629105 
1 1 1 -21 5  13 o 52.22969 2.562587  4.575207       5.125175 
1 1 1 -21 5  14 o 20.40689 5.152345  8.688553       10.30469 
1 1 1 -21 5  15 o 52.28804 2.477508  9.622261       4.955017 
1 1 1 -21 5  16 o 42.69056 4.165876  5.246235       8.331752 
1 1 1 -21 5  17 o 53.81953 2.740334  -1.903969      5.480669 
1 1 1 -21 5  18 o 37.55911 3.621415  -5.736458      7.242829 
1 1 1 -21 5  19 o 24.08796 4.322119  23.25458       8.644238 
1 1 1 -21 5  20 o 53.15588 2.939013  -5.876732      5.878026 
1 1 1 -21 5  21 o 17.00165 4.789639  2.624415       9.579278 
1 1 1 -21 5  22 o 21.82838 5.568684  8.296160       11.13737 
1 1 1 -21 5  23 o 21.51905 6.007525  5.079512       12.01505 
1 1 1 -21 5  24 x ?        ?         ?              ?        
1 1 1 -21 5  25 o 26.34642 5.457733  -15.13719      10.91547 
1 1 1 -21 5  26 o 44.50654 5.167164  -22.14478      10.33433 
1 1 1 -21 5  27 o 16.43347 5.267702  3.450450       10.53540 
1 1 1 -21 5  28 o 21.06665 5.763497  -4.399897      11.52699 
1 1 1 -21 5  29 o 32.56985 4.353874  -0.4694786     8.707747 
1 1 1 -21 5  30 o 21.32338 5.669946  -11.00395      11.33989 
1 1 1 -21 5  31 x ?        ?         ?              ?        
1 1 1 -21 5  32 x ?        ?         ?              ?        
1 1 1 -21 5  33 x ?        ?         ?              ?        
1 1 1 -21 6  1  o 120.5656 2.071781  -6.414772      4.143561 
1 1 1 -21 6  2  o 128.8058 2.101730  -2.484634      4.203460 
1 1 1 -21 6  3  o 76.19112 2.192654  -4.514137      4.385308 
1 1 1 -21 6  4  o 24.98326 4.541446  13.74006       9.082891 
1 1 1 -21 6  5  o 53.06706 2.696976  3.667046       5.393952 
1 1 1 -21 6  6  o 19.46255 4.593403  12.45301       9.186807 
1 1 1 -21 6  7  o 56.47960 3.424747  7.075764       6.849494 
1 1 1 -21 6  8  o 66.91406 2.247303  -6.886730      4.494606 
1 1 1 -21 6  9  o 41.87554 2.998512  -6.333447      5.997024 
1 1 1 -21 6  10 o 53.15979 4.441941  ?              ?        
1 1 1 -21 6  11 o 63.50774 2.388450  -7.246681      4.776900 
1 1 1 -21 6  12 o 93.15920 2.143812  5.919373       4.287624 
1 1 1 -21 6  13 o 73.42678 2.975152  -3.524704      5.950303 
1 1 1 -21 6  14 o 80.66386 2.527815  -16.04497      5.055630 
1 1 1 -21 6  15 f 59.71248 2.611919  -2.685318      5.223839 
1 1 1 -21 6  16 f 35.78203 5.294821  -9.457855      10.58964 
1 1 1 -21 6  17 o 108.9233 2.278737  -5.470352      4.557474 
1 1 1 -21 6  18 o 51.91304 3.338744  -11.80919      6.677487 
1 1 1 -21 6  19 o 64.73449 2.850281  -14.28271      5.700561 
1 1 1 -21 6  20 o 71.08609 2.675337  0.7660675E-01  5.350675 
1 1 1 -21 6  21 o 18.85147 5.061012  3.910370       10.12202 
1 1 1 -21 6  22 o 71.21972 3.781561  -3.708954      7.563123 
1 1 1 -21 6  23 o 42.47429 5.212086  -11.01250      10.42417 
1 1 1 -21 6  24 x ?        ?         ?              ?        
1 1 1 -21 6  25 o 26.06159 6.235171  0.1597157      12.47034 
1 1 1 -21 6  26 o 25.91537 5.107764  -18.37631      10.21553 
1 1 1 -21 6  27 o 42.98559 5.098283  -21.64177      10.19657 
1 1 1 -21 6  28 o 47.07658 3.985936  -17.09954      7.971872 
1 1 1 -21 6  29 o 37.19172 5.289705  -27.92223      10.57941 
1 1 1 -21 6  30 o 17.80403 5.284824  3.694642       10.56965 
1 1 1 -21 6  31 x ?        ?         ?              ?        
1 1 1 -21 6  32 x ?        ?         ?              ?        
1 1 1 -21 7  1  o 48.53896 3.296036  -0.9607048     6.592071 
1 1 1 -21 7  2  o 174.7671 2.892728  0.9140015E-01  5.785456 
1 1 1 -21 7  3  o 140.3413 2.277071  -5.898041      4.554142 
1 1 1 -21 7  4  o 66.68456 2.642985  4.014679       5.285970 
1 1 1 -21 7  5  o 108.1748 2.517114  -5.788910      5.034228 
1 1 1 -21 7  6  o 61.47530 6.905862  ?              ?        
1 1 1 -21 7  7  o 22.17077 4.029455  -11.47668      8.058909 
1 1 1 -21 7  8  o 111.2063 2.224823  3.466690       4.449645 
1 1 1 -21 7  9  f 67.58070 2.472848  -0.9475174     4.945696 
1 1 1 -21 7  10 o 80.37827 2.288010  -1.792679      4.576020 
1 1 1 -21 7  11 o 107.8637 2.228727  -7.904266      4.457454 
1 1 1 -21 7  12 o 70.50093 2.513580  -4.517586      5.027160 
1 1 1 -21 7  13 o 62.70698 3.337208  3.850166       6.674416 
1 1 1 -21 7  14 o 107.4429 2.325985  -5.956184      4.651969 
1 1 1 -21 7  15 o 66.77205 3.871331  8.523113       7.742662 
1 1 1 -21 7  16 o 76.53096 2.418668  3.698494       4.837336 
1 1 1 -21 7  17 o 77.82282 2.532254  0.7657776      5.064507 
1 1 1 -21 7  18 o 41.49812 5.659164  -14.35456      11.31833 
1 1 1 -21 7  19 o 77.39777 2.738848  -5.091072      5.477695 
1 1 1 -21 7  20 o 91.86978 2.481519  -5.107414      4.963038 
1 1 1 -21 7  21 o 59.13828 3.327546  -10.80030      6.655092 
1 1 1 -21 7  22 f 15.09057 4.785527  -3.053536      9.571054 
1 1 1 -21 7  23 o 49.90786 9.622000  ?              ?        
1 1 1 -21 7  24 o 55.90012 4.473152  -10.13422      8.946304 
1 1 1 -21 7  25 o 44.08290 4.771709  12.87474       9.543418 
1 1 1 -21 7  26 o 19.21522 5.508418  3.049458       11.01684 
1 1 1 -21 7  27 o 16.76832 5.273744  -3.106203      10.54749 
1 1 1 -21 7  28 o 27.75606 5.486686  -2.604286      10.97337 
1 1 1 -21 7  29 o 16.75917 5.101847  -6.832157      10.20369 
1 1 1 -21 7  30 x ?        ?         ?              ?        
1 1 1 -21 7  31 x ?        ?         ?              ?        
1 1 1 -21 7  32 x ?        ?         ?              ?        
1 1 1 -21 8  1  o 65.66078 3.057914  -3.388264      6.115828 
1 1 1 -21 8  2  o 23.16811 4.937274  -3.019903      9.874549 
1 1 1 -21 8  3  o 100.4894 3.045450  -5.815941      6.090900 
1 1 1 -21 8  4  o 94.99198 3.048865  0.3408661      6.097730 
1 1 1 -21 8  5  f 100.2280 2.288909  -4.138649      4.577818 
1 1 1 -21 8  6  o 57.20016 2.893262  -8.421719      5.786524 
1 1 1 -21 8  7  o 43.78481 3.300033  -0.7861176     6.600067 
1 1 1 -21 8  8  o 19.89764 4.542195  -4.149538      9.084391 
1 1 1 -21 8  9  o 11.49004 3.826293  6.485957       7.652586 
1 1 1 -21 8  10 o 65.42200 2.760716  -7.170517      5.521432 
1 1 1 -21 8  11 o 65.72932 2.768926  -13.08255      5.537852 
1 1 1 -21 8  12 o 57.91231 3.611563  -4.364323      7.223127 
1 1 1 -21 8  13 o 28.89014 5.092035  3.919901       10.18407 
1 1 1 -21 8  14 o 108.0088 2.791159  0.6465683      5.582318 
1 1 1 -21 8  15 o 71.99535 2.716094  -2.046494      5.432188 
1 1 1 -21 8  16 o 100.5645 2.521618  -13.57349      5.043237 
1 1 1 -21 8  17 o 71.64096 2.816567  -5.709755      5.633134 
1 1 1 -21 8  18 o 23.81820 5.510524  -6.724098      11.02105 
1 1 1 -21 8  19 o 41.33207 4.491126  -11.35732      8.982251 
1 1 1 -21 8  20 o 26.09071 4.677902  -12.11949      9.355803 
1 1 1 -21 8  21 o 43.59894 5.244050  -6.311447      10.48810 
1 1 1 -21 8  22 o 63.82424 3.678797  2.775902       7.357593 
1 1 1 -21 8  23 x ?        ?         ?              ?        
1 1 1 -21 8  24 o 45.63011 4.509913  11.67738       9.019827 
1 1 1 -21 8  25 o 44.21289 5.037921  -7.342682      10.07584 
1 1 1 -21 8  26 o 22.87714 5.871728  -2.660250      11.74346 
1 1 1 -21 8  27 o 33.23058 5.518256  -8.566402      11.03651 
1 1 1 -21 8  28 o 17.75991 5.344993  -4.172191      10.68999 
1 1 1 -21 8  29 o 41.54944 4.760211  -22.44280      9.520422 
1 1 1 -21 8  30 x ?        ?         ?              ?        
1 1 1 -21 8  31 x ?        ?         ?              ?        
1 1 1 -21 9  1  o 76.97163 3.047772  0.2351685      6.095544 
1 1 1 -21 9  2  o 70.08136 5.779772  ?              ?        
1 1 1 -21 9  3  o 28.35633 5.210164  -4.472046      10.42033 
1 1 1 -21 9  4  o 47.76765 3.936875  -4.776108      7.873750 
1 1 1 -21 9  5  o 15.74804 4.874779  1.339188       9.749557 
1 1 1 -21 9  6  o 76.94575 2.591156  -2.085770      5.182311 
1 1 1 -21 9  7  f 48.51997 3.333937  -4.004089      6.667874 
1 1 1 -21 9  8  o 34.09454 4.434666  -6.679445      8.869331 
1 1 1 -21 9  9  o 17.20569 4.673662  -1.955544      9.347323 
1 1 1 -21 9  10 o 43.36893 4.186630  -12.56747      8.373260 
1 1 1 -21 9  11 o 52.13473 3.952602  1.259029       7.905203 
1 1 1 -21 9  12 o 62.69427 3.028206  0.9459114      6.056412 
1 1 1 -21 9  13 o 48.09655 4.080614  6.523727       8.161228 
1 1 1 -21 9  14 o 43.40524 5.734020  6.836895       11.46804 
1 1 1 -21 9  15 o 75.11469 2.778990  -3.751480      5.557980 
1 1 1 -21 9  16 o 66.98944 3.000504  -2.455170      6.001008 
1 1 1 -21 9  17 o 65.35110 3.083521  -4.812149      6.167042 
1 1 1 -21 9  18 o 25.97113 6.293066  12.48875       12.58613 
1 1 1 -21 9  19 o 17.48518 5.009607  10.76309       10.01921 
1 1 1 -21 9  20 o 23.70965 5.600903  0.9416084      11.20181 
1 1 1 -21 9  21 o 16.53049 5.154216  10.10277       10.30843 
1 1 1 -21 9  22 o 23.59705 8.295383  ?              ?        
1 1 1 -21 9  23 o 23.12463 5.787210  15.18198       11.57442 
1 1 1 -21 9  24 o 35.14808 5.210415  -16.95928      10.42083 
1 1 1 -21 9  25 o 23.85250 5.207735  -12.76806      10.41547 
1 1 1 -21 9  26 o 30.75368 5.487936  -11.55465      10.97587 
1 1 1 -21 9  27 o 15.29493 4.903084  -1.347882      9.806169 
1 1 1 -21 9  28 o 12.41228 4.292722  -2.746883      8.585444 
1 1 1 -21 9  29 x ?        ?         ?              ?        
1 1 1 -21 9  30 x ?        ?         ?              ?        
1 1 1 -21 9  31 x ?        ?         ?              ?        
1 1 1 -21 10 1  o 49.25323 7.254287  ?              ?        
1 1 1 -21 10 2  o 73.50882 3.348457  -3.631630      6.696914 
1 1 1 -21 10 3  o 64.96986 3.185855  ?              ?        
1 1 1 -21 10 4  o 23.19971 5.870240  8.230362       11.74048 
1 1 1 -21 10 5  o 25.44786 5.723467  8.957994       11.44693 
1 1 1 -21 10 6  o 50.27654 4.432165  -2.547176      8.864330 
1 1 1 -21 10 7  o 71.90663 3.334307  -4.831947      6.668615 
1 1 1 -21 10 8  o 31.98009 4.777209  -8.524883      9.554418 
1 1 1 -21 10 9  o 62.93935 3.026126  -6.919865      6.052252 
1 1 1 -21 10 10 o 98.27655 3.193080  -2.298836      6.386160 
1 1 1 -21 10 11 o 74.45697 3.081079  11.64854       6.162158 
1 1 1 -21 10 12 o 18.52124 5.503320  2.671864       11.00664 
1 1 1 -21 10 13 o 31.67277 6.623202  9.384819       13.24640 
1 1 1 -21 10 14 o 66.50891 2.977862  6.669785       5.955724 
1 1 1 -21 10 15 o 50.55864 3.565111  -0.6559563     7.130221 
1 1 1 -21 10 16 o 55.38535 3.567071  -7.502071      7.134142 
1 1 1 -21 10 17 o 30.97614 5.163185  7.089634       10.32637 
1 1 1 -21 10 18 o 21.79894 4.628666  -12.86676      9.257332 
1 1 1 -21 10 19 o 51.00375 5.294477  -19.41771      10.58895 
1 1 1 -21 10 20 o 50.79642 4.060227  -1.607616      8.120454 
1 1 1 -21 10 21 o 21.18969 6.044811  7.614794       12.08962 
1 1 1 -21 10 22 o 30.84615 9.529563  ?              ?        
1 1 1 -21 10 23 o 24.12872 5.037399  -13.91748      10.07480 
1 1 1 -21 10 24 o 41.91607 4.816429  -41.31374      9.632857 
1 1 1 -21 10 25 o 23.02764 5.463125  -7.398636      10.92625 
1 1 1 -21 10 26 o 18.87842 4.902030  14.96865       9.804060 
1 1 1 -21 10 27 o 18.43588 5.415114  -10.06880      10.83023 
1 1 1 -21 10 28 o 17.83413 5.280423  -11.21208      10.56085 
1 1 1 -21 10 29 x ?        ?         ?              ?        
1 1 1 -21 10 30 x ?        ?         ?              ?        
1 1 1 -21 11 1  o 118.8859 3.043716  -3.650787      6.087432 
1 1 1 -21 11 2  o 71.21497 3.350936  ?              ?        
1 1 1 -21 11 3  o 119.3466 3.110550  -3.574814      6.221100 
1 1 1 -21 11 4  o 43.13802 4.600451  11.15896       9.200901 
1 1 1 -21 11 5  o 35.67828 5.390352  4.135784       10.78070 
1 1 1 -21 11 6  o 130.9587 3.158359  13.05202       6.316719 
1 1 1 -21 11 7  o 77.75865 3.295607  -0.2581024     6.591214 
1 1 1 -21 11 8  o 62.53600 3.810952  -7.251064      7.621904 
1 1 1 -21 11 9  o 43.32185 5.070694  -13.11299      10.14139 
1 1 1 -21 11 10 o 29.24005 6.652029  10.18917       13.30406 
1 1 1 -21 11 11 o 72.86212 3.608676  3.979149       7.217352 
1 1 1 -21 11 12 o 47.92729 6.390754  -13.85674      12.78151 
1 1 1 -21 11 13 o 28.55505 5.137948  -10.45945      10.27590 
1 1 1 -21 11 14 o 81.23772 2.906627  1.430229       5.813254 
1 1 1 -21 11 15 o 25.89204 5.125878  -8.541309      10.25176 
1 1 1 -21 11 16 o 38.24506 4.559262  8.588505       9.118524 
1 1 1 -21 11 17 o 57.62268 3.541570  -7.859520      7.083140 
1 1 1 -21 11 18 o 75.75481 3.548843  -8.750786      7.097686 
1 1 1 -21 11 19 o 23.14937 5.268545  -11.99526      10.53709 
1 1 1 -21 11 20 o 55.39503 4.032374  -8.774033      8.064748 
1 1 1 -21 11 21 o 55.22813 3.996139  3.971024       7.992279 
1 1 1 -21 11 22 o 48.51549 4.629747  -14.24914      9.259495 
1 1 1 -21 11 23 o 75.16016 3.406310  -24.63308      6.812620 
1 1 1 -21 11 24 o 22.02145 5.733243  9.126423       11.46649 
1 1 1 -21 11 25 o 15.39255 4.829765  3.193112       9.659530 
1 1 1 -21 11 26 o 18.48933 5.202694  7.315892       10.40539 
1 1 1 -21 11 27 o 14.39657 4.735625  0.5050564      9.471250 
1 1 1 -21 11 28 x ?        ?         ?              ?        
1 1 1 -21 11 29 x ?        ?         ?              ?        
1 1 1 -21 11 30 x ?        ?         ?              ?        
1 1 1 -21 12 1  o 26.73226 7.107642  ?              ?        
1 1 1 -21 12 2  o 105.2494 3.217594  -1.566162      6.435189 
1 1 1 -21 12 3  o 51.60458 4.310441  -7.021412      8.620883 
1 1 1 -21 12 4  o 71.15825 3.675691  1.892784       7.351383 
1 1 1 -21 12 5  o 31.66463 5.970975  15.32756       11.94195 
1 1 1 -21 12 6  o 27.98841 9.801181  ?              ?        
1 1 1 -21 12 7  o 32.44925 5.856157  5.351585       11.71231 
1 1 1 -21 12 8  o 36.03516 5.558814  10.41184       11.11763 
1 1 1 -21 12 9  o 25.24072 9.640867  ?              ?        
1 1 1 -21 12 10 o 58.35367 4.118721  6.338676       8.237441 
1 1 1 -21 12 11 o 43.72681 4.529696  ?              ?        
1 1 1 -21 12 12 o 38.38474 5.524233  9.159531       11.04847 
1 1 1 -21 12 13 o 52.45327 3.796615  -1.273491      7.593229 
1 1 1 -21 12 14 f 39.13009 5.105373  -10.00653      10.21075 
1 1 1 -21 12 15 o 21.47874 5.654599  7.470358       11.30920 
1 1 1 -21 12 16 o 17.36329 5.074682  0.6788502      10.14936 
1 1 1 -21 12 17 o 21.55421 5.945143  10.34660       11.89029 
1 1 1 -21 12 18 o 54.25565 3.742333  1.722126       7.484666 
1 1 1 -21 12 19 o 28.66641 5.916550  -9.280338      11.83310 
1 1 1 -21 12 20 o 14.26641 4.840335  6.330960       9.680671 
1 1 1 -21 12 21 o 26.91927 5.477540  -0.3111916     10.95508 
1 1 1 -21 12 22 o 48.08572 4.381696  -20.66468      8.763391 
1 1 1 -21 12 23 o 30.06976 4.901498  -18.34136      9.802996 
1 1 1 -21 12 24 o 41.27234 4.784445  -25.67263      9.568891 
1 1 1 -21 12 25 o 21.23756 5.558853  -0.2904587     11.11771 
1 1 1 -21 12 26 o 18.03188 5.258350  -7.028368      10.51670 
1 1 1 -21 12 27 x ?        ?         ?              ?        
1 1 1 -21 12 28 x ?        ?         ?              ?        
1 1 1 -21 12 29 x ?        ?         ?              ?        
1 1 1 -21 13 1  o 41.79173 5.208496  3.370747       10.41699 
1 1 1 -21 13 2  o 57.16068 4.035932  13.54442       8.071863 
1 1 1 -21 13 3  o 34.36237 5.804634  -6.332348      11.60927 
1 1 1 -21 13 4  o 55.66506 4.357435  4.229183       8.714870 
1 1 1 -21 13 5  o 34.68198 5.535508  -4.747917      11.07102 
1 1 1 -21 13 6  o 19.00417 5.730473  5.092218       11.46095 
1 1 1 -21 13 7  o 29.80128 6.237851  -13.77117      12.47570 
1 1 1 -21 13 8  o 40.82758 6.066751  -2.706669      12.13350 
1 1 1 -21 13 9  o 79.70637 3.864531  -14.34541      7.729061 
1 1 1 -21 13 10 o 47.33985 9.200517  ?              ?        
1 1 1 -21 13 11 o 61.49293 3.922320  2.335381       7.844640 
1 1 1 -21 13 12 o 47.70210 5.063827  0.7189751      10.12765 
1 1 1 -21 13 13 o 52.66430 4.391509  -1.418617      8.783017 
1 1 1 -21 13 14 o 48.87859 4.980739  -9.360748      9.961478 
1 1 1 -21 13 15 o 108.9654 3.302148  2.282974       6.604296 
1 1 1 -21 13 16 o 48.31508 4.859820  0.1832962      9.719640 
1 1 1 -21 13 17 o 15.97997 5.025546  5.725821       10.05109 
1 1 1 -21 13 18 o 32.08497 5.869288  -3.252131      11.73858 
1 1 1 -21 13 19 o 40.50040 5.738124  -6.634323      11.47625 
1 1 1 -21 13 20 o 25.49244 4.606865  -10.49151      9.213731 
1 1 1 -21 13 21 o 24.47857 3.986058  -20.34082      7.972116 
1 1 1 -21 13 22 o 16.56890 4.806824  10.84948       9.613648 
1 1 1 -21 13 23 o 24.55362 5.080062  -16.32735      10.16012 
1 1 1 -21 13 24 o 26.46169 5.499149  10.21323       10.99830 
1 1 1 -21 13 25 o 21.06182 5.270359  4.038479       10.54072 
1 1 1 -21 13 26 x ?        ?         ?              ?        
1 1 1 -21 13 27 x ?        ?         ?              ?        
1 1 1 -21 13 28 x ?        ?         ?              ?        
1 1 1 -21 14 1  f 55.62307 6.780709  ?              ?        
1 1 1 -21 14 2  o 49.84863 4.665593  -0.4015732E-01 9.331185 
1 1 1 -21 14 3  o 22.78856 4.853424  -17.27526      9.706848 
1 1 1 -21 14 4  o 23.17814 6.016125  5.866955       12.03225 
1 1 1 -21 14 5  o 48.93912 4.685863  -1.124790      9.371725 
1 1 1 -21 14 6  f 62.12792 7.096426  ?              ?        
1 1 1 -21 14 7  f 17.63652 5.569527  4.384207       11.13905 
1 1 1 -21 14 8  o 69.91909 3.870773  ?              ?        
1 1 1 -21 14 9  o 66.33510 4.027485  0.9131622E-01  8.054971 
1 1 1 -21 14 10 o 44.26170 5.467154  -3.801044      10.93431 
1 1 1 -21 14 11 o 23.35327 5.884979  -3.070963      11.76996 
1 1 1 -21 14 12 o 31.15398 6.141729  13.84824       12.28346 
1 1 1 -21 14 13 o 28.58130 5.522785  -9.504419      11.04557 
1 1 1 -21 14 14 o 48.20104 4.612299  2.908501       9.224598 
1 1 1 -21 14 15 o 22.07218 6.022383  11.72372       12.04477 
1 1 1 -21 14 16 o 24.92591 6.082517  13.82885       12.16503 
1 1 1 -21 14 17 o 35.29879 5.398272  26.78839       10.79654 
1 1 1 -21 14 18 o 22.86675 5.678672  4.076996       11.35734 
1 1 1 -21 14 19 o 47.19716 5.834548  -20.19520      11.66910 
1 1 1 -21 14 20 o 20.82765 6.500938  ?              ?        
1 1 1 -21 14 21 o 26.39745 5.118231  8.006527       10.23646 
1 1 1 -21 14 22 o 25.87387 4.932541  -6.321571      9.865083 
1 1 1 -21 14 23 o 25.20657 4.834521  14.95308       9.669043 
1 1 1 -21 14 24 o 19.46062 5.347063  -11.89198      10.69413 
1 1 1 -21 14 25 x ?        ?         ?              ?        
1 1 1 -21 14 26 x ?        ?         ?              ?        
1 1 1 -21 14 27 x ?        ?         ?              ?        
1 1 1 -21 14 28 x ?        ?         ?              ?        
1 1 1 -21 15 1  o 34.52044 5.642186  -14.82167      11.28437 
1 1 1 -21 15 2  o 34.41313 5.488900  26.66029       10.97780 
1 1 1 -21 15 3  o 19.77548 5.859892  0.7517452      11.71978 
1 1 1 -21 15 4  o 18.86045 8.335833  ?              ?        
1 1 1 -21 15 5  o 72.87901 3.799666  -5.677765      7.599331 
1 1 1 -21 15 6  o 35.92441 5.933091  -4.119648      11.86618 
1 1 1 -21 15 7  o 44.83957 9.305752  ?              ?        
1 1 1 -21 15 8  o 62.21379 4.191366  -4.184872      8.382732 
1 1 1 -21 15 9  o 61.05032 4.434464  -3.610039      8.868928 
1 1 1 -21 15 10 o 18.63865 8.478596  ?              ?        
1 1 1 -21 15 11 o 39.83185 5.680366  -13.96408      11.36073 
1 1 1 -21 15 12 o 36.38083 5.563506  19.37820       11.12701 
1 1 1 -21 15 13 o 22.84025 5.825584  0.5956688      11.65117 
1 1 1 -21 15 14 o 27.42342 6.385768  3.388643       12.77154 
1 1 1 -21 15 15 o 17.94544 5.535995  -3.708784      11.07199 
1 1 1 -21 15 16 o 36.41225 7.800244  ?              ?        
1 1 1 -21 15 17 o 30.50040 5.033028  -8.260067      10.06606 
1 1 1 -21 15 18 o 16.85810 5.105370  5.458920       10.21074 
1 1 1 -21 15 19 o 24.15043 7.222572  ?              ?        
1 1 1 -21 15 20 o 20.69422 4.905328  -4.849258      9.810656 
1 1 1 -21 15 21 o 15.96399 4.730943  2.367646       9.461885 
1 1 1 -21 15 22 o 22.90935 5.275342  0.3425713      10.55068 
1 1 1 -21 15 23 o 27.33601 5.606856  -12.22595      11.21371 
1 1 1 -21 15 24 x ?        ?         ?              ?        
1 1 1 -21 15 25 x ?        ?         ?              ?        
1 1 1 -21 15 26 x ?        ?         ?              ?        
1 1 1 -21 15 27 x ?        ?         ?              ?        
1 1 1 -21 16 1  o 62.33684 4.242618  -0.6720352     8.485235 
1 1 1 -21 16 2  f 55.82058 4.911936  6.953575       9.823873 
1 1 1 -21 16 3  o 20.55472 5.751718  7.600332       11.50344 
1 1 1 -21 16 4  o 58.39746 3.936906  -4.092323      7.873812 
1 1 1 -21 16 5  o 14.39199 6.430789  ?              ?        
1 1 1 -21 16 6  o 52.20117 4.997430  -15.39052      9.994861 
1 1 1 -21 16 7  o 51.01694 4.942498  -8.479530      9.884996 
1 1 1 -21 16 8  o 20.11844 5.705638  5.405222       11.41128 
1 1 1 -21 16 9  o 19.15180 5.341948  -4.825401      10.68390 
1 1 1 -21 16 10 o 24.70802 6.053515  2.926390       12.10703 
1 1 1 -21 16 11 f 42.87219 5.152482  4.482075       10.30496 
1 1 1 -21 16 12 o 65.96318 4.191483  -14.82558      8.382967 
1 1 1 -21 16 13 o 48.51938 5.082097  -1.926414      10.16419 
1 1 1 -21 16 14 o 18.42422 5.528138  2.275606       11.05628 
1 1 1 -21 16 15 o 19.84359 6.751813  ?              ?        
1 1 1 -21 16 16 o 15.15275 4.851430  0.6621876      9.702861 
1 1 1 -21 16 17 o 44.39977 4.420269  -1.961636      8.840538 
1 1 1 -21 16 18 o 35.60995 4.916689  -13.13462      9.833378 
1 1 1 -21 16 19 o 14.45884 4.387022  -3.959678      8.774045 
1 1 1 -21 16 20 f 15.74127 4.705193  1.197091       9.410386 
1 1 1 -21 16 21 o 16.72092 4.717500  4.636514       9.434999 
1 1 1 -21 16 22 o 20.67637 5.385792  2.972244       10.77158 
1 1 1 -21 16 23 x ?        ?         ?              ?        
1 1 1 -21 16 24 x ?        ?         ?              ?        
1 1 1 -21 16 25 x ?        ?         ?              ?        
1 1 1 -21 17 1  o 23.49489 5.460574  -4.138308      10.92115 
1 1 1 -21 17 2  o 52.83102 4.491498  -6.041294      8.982997 
1 1 1 -21 17 3  o 57.03843 4.461474  ?              ?        
1 1 1 -21 17 4  o 19.72178 5.535037  3.185377       11.07007 
1 1 1 -21 17 5  o 44.67112 4.805866  -1.038113      9.611732 
1 1 1 -21 17 6  o 15.87607 5.033152  2.512930       10.06630 
1 1 1 -21 17 7  o 21.44365 5.566915  3.392370       11.13383 
1 1 1 -21 17 8  o 46.73092 4.293184  10.61926       8.586368 
1 1 1 -21 17 9  o 16.58395 4.786274  -8.214598      9.572548 
1 1 1 -21 17 10 o 56.19528 4.099444  4.662315       8.198888 
1 1 1 -21 17 11 o 67.98921 4.400695  11.27641       8.801391 
1 1 1 -21 17 12 o 23.46837 5.721164  -13.39757      11.44233 
1 1 1 -21 17 13 o 26.64767 5.460030  -9.452454      10.92006 
1 1 1 -21 17 14 o 13.91371 4.563494  6.609013       9.126988 
1 1 1 -21 17 15 o 20.75776 4.815386  -10.45256      9.630773 
1 1 1 -21 17 16 o 24.67255 5.545398  9.779331       11.09080 
1 1 1 -21 17 17 o 24.61881 5.286040  -0.4944649     10.57208 
1 1 1 -21 17 18 o 20.00507 4.622145  -12.19006      9.244289 
1 1 1 -21 17 19 o 11.10708 3.717379  4.043975       7.434759 
1 1 1 -21 17 20 o 12.93533 4.280885  -4.438010      8.561769 
1 1 1 -21 17 21 o 16.06347 4.792914  -0.4824638     9.585829 
1 1 1 -21 17 22 x ?        ?         ?              ?        
1 1 1 -21 17 23 x ?        ?         ?              ?        
1 1 1 -21 17 24 x ?        ?         ?              ?        
1 1 1 -21 18 1  o 30.98969 5.002244  -12.11165      10.00449 
1 1 1 -21 18 2  o 30.45671 8.713866  ?              ?        
1 1 1 -21 18 3  o 48.77882 3.879293  -2.493774      7.758586 
1 1 1 -21 18 4  o 24.46113 5.355265  1.216301       10.71053 
1 1 1 -21 18 5  o 18.50775 5.106227  0.2468510      10.21245 
1 1 1 -21 18 6  o 14.63799 4.669625  4.818457       9.339251 
1 1 1 -21 18 7  o 36.22861 4.867293  -18.23794      9.734586 
1 1 1 -21 18 8  o 20.70053 5.184716  -6.529251      10.36943 
1 1 1 -21 18 9  o 24.00797 6.286902  1.004545       12.57380 
1 1 1 -21 18 10 o 23.38438 5.765677  -9.881083      11.53135 
1 1 1 -21 18 11 o 13.51790 4.349181  -1.527736      8.698362 
1 1 1 -21 18 12 o 32.44611 5.356182  ?              ?        
1 1 1 -21 18 13 o 14.69888 4.512549  8.592730       9.025098 
1 1 1 -21 18 14 o 23.54379 5.121447  6.807278       10.24289 
1 1 1 -21 18 15 o 31.03547 4.432050  -6.203012      8.864100 
1 1 1 -21 18 16 o 24.67740 5.498874  0.4414539      10.99775 
1 1 1 -21 18 17 o 26.57168 4.747587  1.387669       9.495173 
1 1 1 -21 18 18 o 21.15949 4.269360  20.44712       8.538720 
1 1 1 -21 18 19 o 23.81502 5.559953  -5.857485      11.11991 
1 1 1 -21 18 20 o 15.07219 6.673536  ?              ?        
1 1 1 -21 18 21 x ?        ?         ?              ?        
1 1 1 -21 18 22 x ?        ?         ?              ?        
1 1 1 -21 18 23 x ?        ?         ?              ?        
1 1 1 -21 19 1  o 14.43868 4.493155  3.717908       8.986309 
1 1 1 -21 19 2  o 20.26983 4.812665  -7.578480      9.625331 
1 1 1 -21 19 3  o 17.15949 4.819457  7.459403       9.638913 
1 1 1 -21 19 4  o 17.49663 4.701189  -5.462200      9.402377 
1 1 1 -21 19 5  o 11.75896 3.961967  1.203348       7.923934 
1 1 1 -21 19 6  o 30.74390 5.328953  5.394699       10.65791 
1 1 1 -21 19 7  o 24.88806 8.928295  ?              ?        
1 1 1 -21 19 8  o 28.55860 5.352241  6.749960       10.70448 
1 1 1 -21 19 9  o 19.23593 5.201154  0.6912632      10.40231 
1 1 1 -21 19 10 o 16.15100 6.457724  ?              ?        
1 1 1 -21 19 11 o 12.76132 4.146746  -0.2769222     8.293492 
1 1 1 -21 19 12 o 34.57439 4.528666  -9.985994      9.057332 
1 1 1 -21 19 13 o 17.75945 4.883933  2.780188       9.767865 
1 1 1 -21 19 14 o 18.65999 4.819129  -0.1015987     9.638257 
1 1 1 -21 19 15 o 13.23577 4.107773  -0.3178587     8.215547 
1 1 1 -21 19 16 o 20.81985 4.970219  7.796730       9.940437 
1 1 1 -21 19 17 o 14.67248 4.464703  3.276834       8.929405 
1 1 1 -21 19 18 o 11.42509 5.376436  ?              ?        
1 1 1 -21 19 19 x ?        ?         ?              ?        
1 1 1 -21 19 20 x ?        ?         ?              ?        
1 1 1 -21 19 21 x ?        ?         ?              ?        
1 1 1 -21 20 1  o 18.42730 4.669688  3.612144       9.339376 
1 1 1 -21 20 2  o 16.40682 4.433328  9.787105       8.866656 
1 1 1 -21 20 3  o 20.45539 4.404610  15.43158       8.809219 
1 1 1 -21 20 4  o 19.19603 5.027870  3.008173       10.05574 
1 1 1 -21 20 5  o 23.30283 5.803724  -6.616564      11.60745 
1 1 1 -21 20 6  o 19.70384 5.105695  4.309572       10.21139 
1 1 1 -21 20 7  o 16.76738 4.712922  1.131426       9.425844 
1 1 1 -21 20 8  o 14.68487 6.074841  ?              ?        
1 1 1 -21 20 9  o 14.27133 4.274095  -2.198843      8.548189 
1 1 1 -21 20 10 o 12.64059 4.056845  3.615714       8.113689 
1 1 1 -21 20 11 o 24.86153 4.773674  8.061663       9.547347 
1 1 1 -21 20 12 o 27.09166 4.625731  12.36575       9.251463 
1 1 1 -21 20 13 o 27.14798 4.679165  -8.669100      9.358331 
1 1 1 -21 20 14 o 16.98171 4.486628  -3.004962      8.973256 
1 1 1 -21 20 15 o 14.20440 4.269504  2.356765       8.539007 
1 1 1 -21 20 16 o 20.65104 7.050286  ?              ?        
1 1 1 -21 20 17 o 17.24395 7.028020  ?              ?        
1 1 1 -21 20 18 x ?        ?         ?              ?        
1 1 1 -21 20 19 x ?        ?         ?              ?        
1 1 1 -21 21 1  o 13.38548 4.113593  1.021611       8.227185 
1 1 1 -21 21 2  o 17.78896 5.095424  1.953754       10.19085 
1 1 1 -21 21 3  f 20.14744 8.202603  ?              ?        
1 1 1 -21 21 4  o 22.64150 4.511350  12.92918       9.022700 
1 1 1 -21 21 5  o 9.692380 4.658324  ?              ?        
1 1 1 -21 21 6  o 23.03397 4.484791  -10.00837      8.969582 
1 1 1 -21 21 7  o 17.17385 3.804487  -14.39450      7.608973 
1 1 1 -21 21 8  o 19.60245 3.874826  -15.79601      7.749651 
1 1 1 -21 21 9  o 17.88839 4.637339  6.439135       9.274677 
1 1 1 -21 21 10 o 15.88795 4.434980  8.794026       8.869961 
1 1 1 -21 21 11 f 15.34991 4.428216  5.164551       8.856432 
1 1 1 -21 21 12 f 19.55672 4.545630  -5.711956      9.091260 
1 1 1 -21 21 13 o 21.84374 4.640825  2.858532       9.281650 
1 1 1 -21 21 14 o 10.91856 5.165468  ?              ?        
1 1 1 -21 21 15 o 12.27576 5.706938  ?              ?        
1 1 1 -21 21 16 x ?        ?         ?              ?        
1 1 1 -21 21 17 x ?        ?         ?              ?        
1 1 1 -21 22 1  o 16.11886 4.543487  2.826103       9.086973 
1 1 1 -21 22 2  f 18.85610 6.075238  ?              ?        
1 1 1 -21 22 3  o 11.67484 5.257910  ?              ?        
1 1 1 -21 22 4  f 13.65215 4.122606  6.534800       8.245213 
1 1 1 -21 22 5  o 21.06362 4.074586  -13.17968      8.149172 
1 1 1 -21 22 6  o 31.87618 4.199818  -12.96335      8.399636 
1 1 1 -21 22 7  o 27.47555 4.512021  -9.107204      9.024042 
1 1 1 -21 22 8  o 12.72553 3.922899  -3.935202      7.845799 
1 1 1 -21 22 9  o 15.95561 4.376020  -0.8439569     8.752041 
1 1 1 -21 22 10 o 14.36201 4.265224  1.844017       8.530447 
1 1 1 -21 22 11 o 21.33738 4.669827  -5.197493      9.339653 
1 1 1 -21 22 12 o 20.46344 7.094179  ?              ?        
1 1 1 -21 22 13 o 24.62206 7.133356  ?              ?        
1 1 1 -21 22 14 x ?        ?         ?              ?        
1 1 1 -21 23 4  o 13.30034 3.836832  -8.339812      7.673664 
1 1 1 -21 23 5  o 10.32545 3.437011  -2.663814      6.874022 
1 1 1 -21 23 6  o 15.37652 4.422550  0.6450605      8.845100 
1 1 1 -21 23 7  o 17.12580 4.603397  7.136530       9.206794 
1 1 1 -21 23 8  f 11.38665 3.742943  2.180438       7.485887 
1 1 1 -20 0  1  o 225.7393 4.894386  -0.000000      0.000000 
1 1 1 -20 0  2  o 85.69851 2.376168  -0.000000      0.000000 
1 1 1 -20 0  3  o 153.9207 2.718733  -0.000000      0.000000 
1 1 1 -20 0  4  f 83.19432 2.418498  -0.000000      0.000000 
1 1 1 -20 0  5  o 58.36669 2.513947  -0.000000      0.000000 
1 1 1 -20 0  6  o 9.525218 5.814141  -0.000000      0.000000 
1 1 1 -20 0  7  o 17.74786 6.545638  -0.000000      0.000000 
1 1 1 -20 0  8  o 83.76766 3.441510  -0.000000      0.000000 
1 1 1 -20 0  9  o 168.7549 2.849308  -0.000000      0.000000 
1 1 1 -20 0  10 o 130.7726 3.531756  -0.000000      0.000000 
1 1 1 -20 0  11 o 40.93711 3.056013  -0.000000      0.000000 
1 1 1 -20 0  12 o 94.25193 2.441551  -0.000000      0.000000 
1 1 1 -20 0  13 o 7.273840 4.962970  -0.000000      0.000000 
1 1 1 -20 0  14 o 87.84950 2.456990  -0.000000      0.000000 
1 1 1 -20 0  15 o 75.53154 2.555075  -0.000000      0.000000 
1 1 1 -20 0  16 o 26.09789 6.108698  -0.000000      0.000000 
1 1 1 -20 0  17 o 17.05588 7.306695  -0.000000      0.000000 
1 1 1 -20 0  18 o 18.56752 8.215724  -0.000000      0.000000 
1 1 1 -20 0  19 o 71.26775 2.813597  -0.000000      0.000000 
1 1 1 -20 0  20 x ?        ?         ?              ?        
1 1 1 -20 0  21 o 54.57085 5.670238  -0.000000      0.000000 
1 1 1 -20 0  22 o 18.32807 9.998851  -0.000000      0.000000 
1 1 1 -20 0  23 o 21.82364 11.12224  -0.000000      0.000000 
1 1 1 -20 0  24 o 14.64763 8.969913  -0.000000      0.000000 
1 1 1 -20 0  25 f 49.25724 6.853842  -0.000000      0.000000 
1 1 1 -20 0  26 x ?        ?         ?              ?        
1 1 1 -20 0  27 o 13.40519 8.700300  -0.000000      0.000000 
1 1 1 -20 0  28 o 41.39305 4.581595  -0.000000      0.000000 
1 1 1 -20 0  29 o 61.77282 3.593748  -0.000000      0.000000 
1 1 1 -20 0  30 o 59.04961 3.840408  -0.000000      0.000000 
1 1 1 -20 0  31 o 8.560573 6.092166  -0.000000      0.000000 
1 1 1 -20 0  32 o 28.40517 10.16006  -0.000000      0.000000 
1 1 1 -20 0  33 x ?        ?         ?              ?        
1 1 1 -20 0  34 x ?        ?         ?              ?        
1 1 1 -20 1  1  o 130.7039 2.291084  0.8053284      4.582167 
1 1 1 -20 1  2  o 63.74204 1.769454  3.396198       3.538909 
1 1 1 -20 1  3  o 28.10020 2.922633  -7.173956      5.845266 
1 1 1 -20 1  4  o 83.00990 1.664102  5.496964       3.328205 
1 1 1 -20 1  5  o 18.78073 3.157637  -13.66595      6.315273 
1 1 1 -20 1  6  o 43.82591 2.036911  5.004719       4.073821 
1 1 1 -20 1  7  o 11.74245 5.172825  ?              ?        
1 1 1 -20 1  8  o 46.46805 2.479581  8.213993       4.959161 
1 1 1 -20 1  9  o 87.21756 1.677177  2.178108       3.354354 
1 1 1 -20 1  10 o 121.3248 2.422959  -1.739372      4.845917 
1 1 1 -20 1  11 o 87.51082 1.695808  0.9459915      3.391617 
1 1 1 -20 1  12 o 88.22987 1.733837  -4.623283      3.467674 
1 1 1 -20 1  13 o 67.71800 1.801123  -0.7128601     3.602247 
1 1 1 -20 1  14 o 119.3125 1.797790  5.430763       3.595581 
1 1 1 -20 1  15 o 39.24686 2.430909  1.985382       4.861817 
1 1 1 -20 1  16 o 19.68361 7.166002  ?              ?        
1 1 1 -20 1  17 f 50.15570 2.168788  -3.580421      4.337575 
1 1 1 -20 1  18 o 70.28073 2.571963  3.530273       5.143927 
1 1 1 -20 1  19 o 49.81509 2.334339  2.532291       4.668678 
1 1 1 -20 1  20 o 16.80098 4.317060  6.796486       8.634119 
1 1 1 -20 1  21 o 25.77758 5.941480  2.703573       11.88296 
1 1 1 -20 1  22 o 88.24051 3.229222  7.200127       6.458444 
1 1 1 -20 1  23 o 23.58178 6.155238  -2.167274      12.31048 
1 1 1 -20 1  24 o 43.89116 5.299881  -1.192245      10.59976 
1 1 1 -20 1  25 o 29.82272 6.269517  -1.338179      12.53903 
1 1 1 -20 1  26 x ?        ?         ?              ?        
1 1 1 -20 1  27 o 36.52144 5.897303  -2.830685      11.79461 
1 1 1 -20 1  28 o 24.51324 4.584307  -4.278038      9.168614 
1 1 1 -20 1  29 o 19.22997 4.379939  -10.59154      8.759878 
1 1 1 -20 1  30 o 17.65866 4.686839  -2.074368      9.373677 
1 1 1 -20 1  31 o 21.31769 5.535904  10.76245       11.07181 
1 1 1 -20 1  32 o 20.12742 5.577596  4.761719       11.15519 
1 1 1 -20 1  33 x ?        ?         ?              ?        
1 1 1 -20 1  34 x ?        ?         ?              ?        
1 1 1 -20 2  1  o 83.80987 2.295783  8.697983       4.591566 
1 1 1 -20 2  2  o 24.25884 3.307580  3.198011       6.615160 
1 1 1 -20 2  3  f 57.04446 1.886023  -2.267906      3.772047 
1 1 1 -20 2  4  o 104.6771 1.715662  -9.327873      3.431324 
1 1 1 -20 2  5  o 51.42353 1.941531  2.330261       3.883062 
1 1 1 -20 2  6  o 35.40176 2.334893  3.072971       4.669787 
1 1 1 -20 2  7  o 147.3697 2.417474  -0.8773193     4.834948 
1 1 1 -20 2  8  o 61.67469 1.832085  2.078571       3.664171 
1 1 1 -20 2  9  o 98.13600 1.983052  -7.931740      3.966103 
1 1 1 -20 2  10 f 67.82840 2.286186  -2.663582      4.572371 
1 1 1 -20 2  11 o 59.82956 1.881238  0.3193779      3.762475 
1 1 1 -20 2  12 o 35.18117 2.552633  4.436096       5.105266 
1 1 1 -20 2  13 o 26.18279 3.236704  21.44066       6.473407 
1 1 1 -20 2  14 o 29.13123 3.031612  -2.167271      6.063224 
1 1 1 -20 2  15 o 16.28939 3.937049  9.002700       7.874097 
1 1 1 -20 2  16 o 56.56361 4.016789  ?              ?        
1 1 1 -20 2  17 o 14.25518 4.067049  2.398747       8.134097 
1 1 1 -20 2  18 o 19.63278 4.798328  -1.598083      9.596657 
1 1 1 -20 2  19 o 46.64150 2.571475  -7.256866      5.142950 
1 1 1 -20 2  20 o 17.94795 4.259060  -5.044374      8.518120 
1 1 1 -20 2  21 o 65.61177 3.582595  -1.395210      7.165189 
1 1 1 -20 2  22 o 60.33086 3.939604  -13.43441      7.879208 
1 1 1 -20 2  23 o 47.31314 4.964171  -8.163410      9.928343 
1 1 1 -20 2  24 o 34.68994 5.629299  -11.97549      11.25860 
1 1 1 -20 2  25 o 23.82596 5.772237  16.45677       11.54447 
1 1 1 -20 2  26 x ?        ?         ?              ?        
1 1 1 -20 2  27 o 23.57007 5.902822  -9.713799      11.80564 
1 1 1 -20 2  28 o 21.60541 4.843864  2.846897       9.687728 
1 1 1 -20 2  29 o 31.32970 4.003267  1.732386       8.006534 
1 1 1 -20 2  30 o 23.63426 4.566917  9.347834       9.133835 
1 1 1 -20 2  31 o 15.71414 5.039195  -0.4889460     10.07839 
1 1 1 -20 2  32 o 23.17045 6.088984  -6.510275      12.17797 
1 1 1 -20 2  33 x ?        ?         ?              ?        
1 1 1 -20 2  34 x ?        ?         ?              ?        
1 1 1 -20 3  1  o 128.4734 1.817886  4.929733       3.635772 
1 1 1 -20 3  2  o 113.7773 1.778270  10.81957       3.556540 
1 1 1 -20 3  3  o 112.0084 1.753953  1.017479       3.507906 
1 1 1 -20 3  4  o 113.8832 1.764064  -3.295555      3.528128 
1 1 1 -20 3  5  o 104.2698 1.759913  0.1753998      3.519827 
1 1 1 -20 3  6  o 87.93370 1.732319  0.9593277      3.464638 
1 1 1 -20 3  7  o 60.59082 2.755433  -14.72523      5.510866 
1 1 1 -20 3  8  o 55.41092 1.976672  -4.011711      3.953344 
1 1 1 -20 3  9  o 73.40397 2.043729  3.246796       4.087459 
1 1 1 -20 3  10 o 101.7044 1.794129  -5.417015      3.588258 
1 1 1 -20 3  11 o 45.54198 2.233961  4.497673       4.467923 
1 1 1 -20 3  12 o 83.47033 1.797055  -0.4375305     3.594111 
1 1 1 -20 3  13 o 41.47149 2.331826  5.001030       4.663653 
1 1 1 -20 3  14 o 62.98560 1.975143  -8.391926      3.950285 
1 1 1 -20 3  15 o 34.49402 2.957052  -5.450661      5.914103 
1 1 1 -20 3  16 o 71.41309 3.425466  ?              ?        
1 1 1 -20 3  17 o 21.08857 4.020346  -6.289551      8.040692 
1 1 1 -20 3  18 o 22.97987 4.224298  -13.73385      8.448596 
1 1 1 -20 3  19 f 62.87376 2.274069  -4.362167      4.548139 
1 1 1 -20 3  20 o 60.37731 2.331084  8.308254       4.662168 
1 1 1 -20 3  21 o 81.96297 3.327371  2.935547       6.654743 
1 1 1 -20 3  22 o 36.85107 5.322815  -20.02045      10.64563 
1 1 1 -20 3  23 o 28.51651 6.167335  -2.692139      12.33467 
1 1 1 -20 3  24 o 25.75853 5.962019  1.145273       11.92404 
1 1 1 -20 3  25 o 17.30925 5.425612  4.160561       10.85122 
1 1 1 -20 3  26 x ?        ?         ?              ?        
1 1 1 -20 3  27 o 17.07090 5.043178  -4.685615      10.08636 
1 1 1 -20 3  28 o 62.79860 2.565079  -12.25401      5.130159 
1 1 1 -20 3  29 o 30.30558 4.111830  -7.094923      8.223660 
1 1 1 -20 3  30 o 44.93478 3.146040  -5.883873      6.292080 
1 1 1 -20 3  31 o 20.58489 5.758863  -6.685347      11.51773 
1 1 1 -20 3  32 o 25.08421 6.157258  -5.979244      12.31452 
1 1 1 -20 3  33 x ?        ?         ?              ?        
1 1 1 -20 3  34 x ?        ?         ?              ?        
1 1 1 -20 4  1  o 80.27345 1.846496  -6.794113      3.692993 
1 1 1 -20 4  2  o 101.5518 1.789985  -2.138458      3.579971 
1 1 1 -20 4  3  o 41.74928 2.369708  0.7141304      4.739415 
1 1 1 -20 4  4  o 47.51684 2.344506  -11.65023      4.689011 
1 1 1 -20 4  5  o 84.23134 1.823684  -0.7435989     3.647367 
1 1 1 -20 4  6  o 34.33429 3.947012  -6.282904      7.894023 
1 1 1 -20 4  7  o 96.23989 2.107325  -10.82466      4.214650 
1 1 1 -20 4  8  o 83.46047 1.850331  3.874664       3.700661 
1 1 1 -20 4  9  o 70.77873 2.671320  -11.86634      5.342641 
1 1 1 -20 4  10 o 70.75290 1.904750  1.076241       3.809501 
1 1 1 -20 4  11 o 61.45141 2.055558  3.423611       4.111116 
1 1 1 -20 4  12 f 77.44444 1.893872  -0.1477203     3.787745 
1 1 1 -20 4  13 o 84.43904 1.859565  -0.9362411     3.719130 
1 1 1 -20 4  14 o 54.77839 2.186693  -3.514374      4.373386 
1 1 1 -20 4  15 o 29.23018 3.610017  -2.478966      7.220034 
1 1 1 -20 4  16 o 102.7523 2.284772  8.206810       4.569545 
1 1 1 -20 4  17 o 121.2637 1.986476  -1.951675      3.972953 
1 1 1 -20 4  18 o 20.06096 5.085135  7.009394       10.17027 
1 1 1 -20 4  19 o 30.19356 3.998671  -1.959644      7.997343 
1 1 1 -20 4  20 o 33.98489 4.212400  -17.09992      8.424800 
1 1 1 -20 4  21 o 42.21999 5.454532  -10.32267      10.90906 
1 1 1 -20 4  22 o 31.52538 5.946888  -5.946539      11.89378 
1 1 1 -20 4  23 o 35.16660 5.770875  3.704563       11.54175 
1 1 1 -20 4  24 o 24.91161 6.103372  0.1104813      12.20674 
1 1 1 -20 4  25 o 24.06583 5.879356  15.72323       11.75871 
1 1 1 -20 4  26 o 33.12255 6.319874  4.817749       12.63975 
1 1 1 -20 4  27 o 33.00682 5.228012  1.637600       10.45602 
1 1 1 -20 4  28 o 37.53547 3.374606  -7.545830      6.749212 
1 1 1 -20 4  29 o 62.09739 2.714189  -22.47686      5.428379 
1 1 1 -20 4  30 o 23.61383 4.358516  -17.08319      8.717031 
1 1 1 -20 4  31 o 18.56291 5.433053  -8.541490      10.86611 
1 1 1 -20 4  32 x ?        ?         ?              ?        
1 1 1 -20 4  33 x ?        ?         ?              ?        
1 1 1 -20 5  1  o 92.01141 1.922589  -2.771088      3.845178 
1 1 1 -20 5  2  o 38.01903 2.987694  -8.937687      5.975387 
1 1 1 -20 5  3  o 99.61444 1.944447  0.3067627      3.888894 
1 1 1 -20 5  4  o 45.72890 2.493915  -4.632389      4.987829 
1 1 1 -20 5  5  o 94.97534 1.924625  -9.381332      3.849249 
1 1 1 -20 5  6  o 90.73594 1.986884  -7.111969      3.973768 
1 1 1 -20 5  7  o 54.79209 2.386484  -10.37231      4.772967 
1 1 1 -20 5  8  o 174.1119 2.609711  0.6016388      5.219421 
1 1 1 -20 5  9  o 99.16649 2.032047  1.056793       4.064094 
1 1 1 -20 5  10 o 98.51025 1.940272  4.691879       3.880544 
1 1 1 -20 5  11 o 83.95227 1.990837  -4.557938      3.981675 
1 1 1 -20 5  12 o 33.25426 3.394203  -7.409428      6.788406 
1 1 1 -20 5  13 o 34.15884 2.989763  8.869881       5.979526 
1 1 1 -20 5  14 o 65.18671 2.221273  4.298023       4.442547 
1 1 1 -20 5  15 o 60.09698 3.237651  -5.531929      6.475303 
1 1 1 -20 5  16 o 52.04165 2.486673  -2.995621      4.973346 
1 1 1 -20 5  17 o 24.77905 5.032448  -7.299805      10.06490 
1 1 1 -20 5  18 f 38.80132 3.337388  -1.536495      6.674776 
1 1 1 -20 5  19 o 16.35452 4.452106  13.34650       8.904213 
1 1 1 -20 5  20 o 55.92674 2.909456  -8.109673      5.818912 
1 1 1 -20 5  21 o 31.92261 5.632680  -7.795416      11.26536 
1 1 1 -20 5  22 o 59.69714 4.186072  -3.714046      8.372144 
1 1 1 -20 5  23 o 68.68697 3.864289  -4.706734      7.728579 
1 1 1 -20 5  24 o 21.88794 5.851639  1.519936       11.70328 
1 1 1 -20 5  25 x ?        ?         ?              ?        
1 1 1 -20 5  26 o 22.85136 5.586419  -11.81571      11.17284 
1 1 1 -20 5  27 o 24.44146 5.487929  -2.050543      10.97586 
1 1 1 -20 5  28 o 36.02958 4.006715  -8.410810      8.013431 
1 1 1 -20 5  29 o 39.73433 3.486750  -7.445244      6.973500 
1 1 1 -20 5  30 o 26.35417 4.773101  1.410259       9.546202 
1 1 1 -20 5  31 o 16.87902 5.092000  -1.831811      10.18400 
1 1 1 -20 5  32 x ?        ?         ?              ?        
1 1 1 -20 5  33 x ?        ?         ?              ?        
1 1 1 -20 6  1  o 94.48731 1.992924  -4.457565      3.985848 
1 1 1 -20 6  2  o 100.1504 2.142876  ?              ?        
1 1 1 -20 6  3  o 39.72908 2.618884  ?              ?        
1 1 1 -20 6  4  o 80.94702 2.072289  3.201935       4.144578 
1 1 1 -20 6  5  o 126.1918 2.507906  3.321205       5.015812 
1 1 1 -20 6  6  o 111.5758 2.272340  8.247025       4.544680 
1 1 1 -20 6  7  o 97.37703 2.346867  -0.5228424E-01 4.693735 
1 1 1 -20 6  8  o 73.19702 3.076721  -2.966225      6.153442 
1 1 1 -20 6  9  o 82.36739 2.110474  0.6881638      4.220948 
1 1 1 -20 6  10 o 110.4488 2.065617  2.705551       4.131233 
1 1 1 -20 6  11 o 67.72006 2.351809  -2.221428      4.703617 
1 1 1 -20 6  12 o 90.75311 2.062949  0.1033859      4.125897 
1 1 1 -20 6  13 o 25.71681 4.127626  -7.935944      8.255252 
1 1 1 -20 6  14 o 76.94528 2.142623  -0.8065948     4.285246 
1 1 1 -20 6  15 o 28.10315 4.370696  -4.965216      8.741392 
1 1 1 -20 6  16 o 89.11201 2.220096  -0.4928513     4.440191 
1 1 1 -20 6  17 o 55.02941 3.692822  5.116653       7.385644 
1 1 1 -20 6  18 o 20.34692 4.836040  10.61893       9.672080 
1 1 1 -20 6  19 o 21.07217 4.614577  -5.103462      9.229154 
1 1 1 -20 6  20 o 25.69751 9.931569  ?              ?        
1 1 1 -20 6  21 o 17.69576 5.458592  4.147454       10.91718 
1 1 1 -20 6  22 o 66.11375 4.118059  -11.55497      8.236118 
1 1 1 -20 6  23 o 27.22076 5.914545  -0.8920670     11.82909 
1 1 1 -20 6  24 o 37.36768 5.303737  -11.71933      10.60747 
1 1 1 -20 6  25 x ?        ?         ?              ?        
1 1 1 -20 6  26 o 31.34602 5.605733  28.38273       11.21147 
1 1 1 -20 6  27 f 69.52144 3.077532  -16.13851      6.155065 
1 1 1 -20 6  28 o 32.26773 4.361065  -10.76346      8.722131 
1 1 1 -20 6  29 o 23.23413 4.992592  -4.717052      9.985184 
1 1 1 -20 6  30 o 16.26854 5.118208  -0.3708305     10.23642 
1 1 1 -20 6  31 o 15.41410 4.995764  -2.076296      9.991529 
1 1 1 -20 6  32 x ?        ?         ?              ?        
1 1 1 -20 6  33 x ?        ?         ?              ?        
1 1 1 -20 7  1  o 53.02676 3.135210  7.441921       6.270420 
1 1 1 -20 7  2  o 33.84026 4.347016  -7.106159      8.694033 
1 1 1 -20 7  3  o 90.22343 2.145695  0.2334061      4.291391 
1 1 1 -20 7  4  o 146.9722 2.663465  -0.2952118     5.326931 
1 1 1 -20 7  5  o 124.8870 2.472962  -4.053658      4.945924 
1 1 1 -20 7  6  o 75.91558 2.589319  -4.222824      5.178638 
1 1 1 -20 7  7  o 21.40858 4.948493  -0.9811382     9.896987 
1 1 1 -20 7  8  o 26.29195 4.179457  6.533667       8.358913 
1 1 1 -20 7  9  o 26.81062 3.967088  13.30486       7.934176 
1 1 1 -20 7  10 o 80.83073 2.199552  2.446960       4.399105 
1 1 1 -20 7  11 o 88.42363 2.157794  -2.777847      4.315588 
1 1 1 -20 7  12 o 56.12933 2.680278  -6.677742      5.360556 
1 1 1 -20 7  13 o 52.90744 3.044546  -5.839981      6.089091 
1 1 1 -20 7  14 o 23.72273 5.209401  15.27928       10.41880 
1 1 1 -20 7  15 o 61.88900 2.949525  7.303539       5.899050 
1 1 1 -20 7  16 o 98.46191 3.376864  3.446480       6.753728 
1 1 1 -20 7  17 o 107.3563 2.291853  -4.250549      4.583707 
1 1 1 -20 7  18 o 67.78003 2.670095  -9.659100      5.340191 
1 1 1 -20 7  19 o 74.38068 2.683218  -8.420265      5.366437 
1 1 1 -20 7  20 o 20.41675 5.788148  20.27483       11.57630 
1 1 1 -20 7  21 o 82.18219 3.608674  -8.025002      7.217348 
1 1 1 -20 7  22 o 29.22663 5.939782  -5.318707      11.87956 
1 1 1 -20 7  23 o 39.01911 5.246719  -19.80293      10.49344 
1 1 1 -20 7  24 x ?        ?         ?              ?        
1 1 1 -20 7  25 o 27.69542 5.961333  -8.570333      11.92267 
1 1 1 -20 7  26 o 39.73679 5.108758  -29.37239      10.21752 
1 1 1 -20 7  27 o 15.61232 4.888303  -2.760804      9.776606 
1 1 1 -20 7  28 o 32.69860 4.498315  -16.19723      8.996631 
1 1 1 -20 7  29 o 13.03119 4.180606  1.474346       8.361213 
1 1 1 -20 7  30 o 21.10097 5.595564  3.208410       11.19113 
1 1 1 -20 7  31 x ?        ?         ?              ?        
1 1 1 -20 7  32 x ?        ?         ?              ?        
1 1 1 -20 7  33 x ?        ?         ?              ?        
1 1 1 -20 8  1  f 39.51205 4.075248  -5.336506      8.150496 
1 1 1 -20 8  2  f 12.63955 4.251248  8.554724       8.502496 
1 1 1 -20 8  3  o 61.76859 3.128515  2.834087       6.257030 
1 1 1 -20 8  4  f 98.82153 2.923838  4.156685       5.847677 
1 1 1 -20 8  5  o 29.20614 4.624315  2.749426       9.248631 
1 1 1 -20 8  6  o 68.92204 2.546379  2.752213       5.092758 
1 1 1 -20 8  7  o 29.78223 4.207891  -0.9661922     8.415783 
1 1 1 -20 8  8  o 37.17917 3.644487  -7.246323      7.288974 
1 1 1 -20 8  9  o 74.44257 2.382767  0.9447861      4.765534 
1 1 1 -20 8  10 o 17.10654 4.620509  11.38359       9.241018 
1 1 1 -20 8  11 o 18.61311 4.581643  1.381449       9.163286 
1 1 1 -20 8  12 o 70.21225 2.529489  -8.283485      5.058979 
1 1 1 -20 8  13 o 20.68040 5.234878  7.366158       10.46976 
1 1 1 -20 8  14 o 68.05214 2.771077  1.870720       5.542155 
1 1 1 -20 8  15 o 92.67227 2.851169  8.788376       5.702337 
1 1 1 -20 8  16 o 58.78146 2.930766  10.13092       5.861532 
1 1 1 -20 8  17 o 22.91230 5.078688  5.745485       10.15738 
1 1 1 -20 8  18 o 38.58628 4.496706  -5.213947      8.993412 
1 1 1 -20 8  19 o 30.18028 4.814713  2.904751       9.629426 
1 1 1 -20 8  20 o 16.28491 4.794154  -2.115408      9.588308 
1 1 1 -20 8  21 o 90.16536 3.336684  -3.818520      6.673368 
1 1 1 -20 8  22 o 69.44116 3.725724  6.935158       7.451448 
1 1 1 -20 8  23 o 85.81644 3.467285  -7.519485      6.934571 
1 1 1 -20 8  24 x ?        ?         ?              ?        
1 1 1 -20 8  25 o 25.12013 5.476137  -11.56974      10.95227 
1 1 1 -20 8  26 o 39.81331 5.298766  -26.26070      10.59753 
1 1 1 -20 8  27 o 22.12974 4.465307  -23.01530      8.930614 
1 1 1 -20 8  28 o 20.52363 5.510328  -1.059788      11.02066 
1 1 1 -20 8  29 o 22.60929 5.833130  0.3151703E-01  11.66626 
1 1 1 -20 8  30 o 43.74400 5.105351  -29.87621      10.21070 
1 1 1 -20 8  31 x ?        ?         ?              ?        
1 1 1 -20 8  32 x ?        ?         ?              ?        
1 1 1 -20 9  1  o 67.96481 2.985490  14.07452       5.970980 
1 1 1 -20 9  2  o 69.01634 3.077609  1.642410       6.155218 
1 1 1 -20 9  3  o 75.99271 3.257952  -0.7889557     6.515905 
1 1 1 -20 9  4  o 90.67979 3.084965  3.517197       6.169930 
1 1 1 -20 9  5  o 50.30972 3.504560  3.818062       7.009120 
1 1 1 -20 9  6  o 92.78462 2.452330  0.7744827      4.904661 
1 1 1 -20 9  7  o 37.14550 4.013509  -4.658173      8.027018 
1 1 1 -20 9  8  o 103.1953 2.389197  -4.114769      4.778394 
1 1 1 -20 9  9  o 24.98065 4.634090  20.50367       9.268181 
1 1 1 -20 9  10 o 19.04617 4.820955  -1.842585      9.641910 
1 1 1 -20 9  11 o 69.34382 2.627401  -3.985764      5.254802 
1 1 1 -20 9  12 o 34.29644 5.012725  -10.62121      10.02545 
1 1 1 -20 9  13 o 59.08862 3.106956  4.078815       6.213913 
1 1 1 -20 9  14 o 19.80954 5.299510  -1.878901      10.59902 
1 1 1 -20 9  15 o 10.99380 5.421313  ?              ?        
1 1 1 -20 9  16 o 61.95882 2.936304  -0.9332619     5.872607 
1 1 1 -20 9  17 o 44.20677 3.871447  12.70324       7.742893 
1 1 1 -20 9  18 o 65.17643 3.221988  -6.105190      6.443976 
1 1 1 -20 9  19 o 28.44745 4.649920  -16.93249      9.299839 
1 1 1 -20 9  20 o 87.98062 3.613466  -12.75237      7.226932 
1 1 1 -20 9  21 o 114.8619 5.926661  ?              ?        
1 1 1 -20 9  22 o 79.05656 3.622276  -4.278091      7.244552 
1 1 1 -20 9  23 x ?        ?         ?              ?        
1 1 1 -20 9  24 o 46.53699 5.218449  -22.69877      10.43690 
1 1 1 -20 9  25 o 26.93623 4.447420  -22.56219      8.894839 
1 1 1 -20 9  26 o 29.97857 5.276516  -13.12617      10.55303 
1 1 1 -20 9  27 o 15.87524 4.905976  -5.563661      9.811953 
1 1 1 -20 9  28 o 27.01220 5.324777  9.514360       10.64955 
1 1 1 -20 9  29 o 19.83913 5.536730  -8.853435      11.07346 
1 1 1 -20 9  30 x ?        ?         ?              ?        
1 1 1 -20 9  31 x ?        ?         ?              ?        
1 1 1 -20 9  32 x ?        ?         ?              ?        
1 1 1 -20 10 1  f 36.04005 4.803785  -5.228161      9.607570 
1 1 1 -20 10 2  o 47.02909 7.062063  ?              ?        
1 1 1 -20 10 3  o 52.95258 3.623825  17.21692       7.247651 
1 1 1 -20 10 4  o 121.3228 2.886598  ?              ?        
1 1 1 -20 10 5  o 56.75950 3.876240  -9.872265      7.752480 
1 1 1 -20 10 6  o 86.34026 3.021620  7.429604       6.043240 
1 1 1 -20 10 7  o 77.97569 3.012236  -0.5794449     6.024472 
1 1 1 -20 10 8  o 69.71738 3.271000  1.112343       6.541999 
1 1 1 -20 10 9  o 32.81894 4.815439  -5.265150      9.630878 
1 1 1 -20 10 10 f 72.60799 2.800645  -6.570549      5.601289 
1 1 1 -20 10 11 o 59.21407 4.095331  -15.40094      8.190661 
1 1 1 -20 10 12 o 47.38152 3.904653  4.817745       7.809306 
1 1 1 -20 10 13 o 44.38998 4.431744  24.08828       8.863488 
1 1 1 -20 10 14 o 29.35981 6.224759  15.84924       12.44952 
1 1 1 -20 10 15 o 60.77020 4.443172  -3.852348      8.886343 
1 1 1 -20 10 16 o 33.31002 4.904579  11.98582       9.809158 
1 1 1 -20 10 17 o 41.23685 5.995538  -22.99805      11.99108 
1 1 1 -20 10 18 o 58.89072 3.516168  -10.83166      7.032336 
1 1 1 -20 10 19 o 24.29543 5.496713  1.352314       10.99343 
1 1 1 -20 10 20 o 20.05416 5.784826  12.28419       11.56965 
1 1 1 -20 10 21 o 25.67741 4.685838  -16.97155      9.371675 
1 1 1 -20 10 22 o 46.35626 9.303391  ?              ?        
1 1 1 -20 10 23 o 63.64129 4.165075  -17.99620      8.330150 
1 1 1 -20 10 24 o 31.70859 5.714773  -3.826311      11.42955 
1 1 1 -20 10 25 o 35.01224 5.282438  -15.94412      10.56488 
1 1 1 -20 10 26 o 23.33609 5.544967  -4.318737      11.08993 
1 1 1 -20 10 27 o 27.77882 4.903817  -19.02023      9.807633 
1 1 1 -20 10 28 o 16.05781 5.014744  3.851756       10.02949 
1 1 1 -20 10 29 o 25.45033 5.957325  -10.33915      11.91465 
1 1 1 -20 10 30 x ?        ?         ?              ?        
1 1 1 -20 10 31 x ?        ?         ?              ?        
1 1 1 -20 11 1  o 36.73788 5.284340  -4.185383      10.56868 
1 1 1 -20 11 2  o 68.41031 3.362244  6.976463       6.724488 
1 1 1 -20 11 3  o 60.44437 3.389081  ?              ?        
1 1 1 -20 11 4  o 37.00753 5.094509  4.182400       10.18902 
1 1 1 -20 11 5  o 68.45942 3.476841  3.659851       6.953682 
1 1 1 -20 11 6  o 63.86463 3.491410  10.94349       6.982819 
1 1 1 -20 11 7  o 103.4984 3.024019  9.399597       6.048039 
1 1 1 -20 11 8  o 54.58905 3.986468  -11.50155      7.972936 
1 1 1 -20 11 9  o 42.45749 4.665895  5.505230       9.331790 
1 1 1 -20 11 10 o 72.41051 3.613973  -9.434029      7.227945 
1 1 1 -20 11 11 o 31.50155 5.580381  4.509548       11.16076 
1 1 1 -20 11 12 o 52.99004 4.060708  -9.080235      8.121416 
1 1 1 -20 11 13 o 57.22010 5.428604  -5.261463      10.85721 
1 1 1 -20 11 14 o 51.85801 3.682885  -2.419075      7.365771 
1 1 1 -20 11 15 o 73.90850 4.229489  -17.88535      8.458979 
1 1 1 -20 11 16 o 48.73503 3.988253  0.3110809      7.976507 
1 1 1 -20 11 17 o 54.82359 5.907072  -11.93446      11.81414 
1 1 1 -20 11 18 o 47.48470 4.024398  0.3481216      8.048796 
1 1 1 -20 11 19 o 20.71414 4.945631  -7.038605      9.891262 
1 1 1 -20 11 20 o 14.50719 4.883873  5.722593       9.767747 
1 1 1 -20 11 21 o 50.76053 4.854447  -14.53801      9.708895 
1 1 1 -20 11 22 o 52.00334 4.806087  -10.78551      9.612175 
1 1 1 -20 11 23 o 45.12454 4.968695  -8.552689      9.937390 
1 1 1 -20 11 24 o 65.38419 3.736936  -13.42053      7.473872 
1 1 1 -20 11 25 f 33.83291 5.192708  -13.97309      10.38542 
1 1 1 -20 11 26 o 14.25731 4.638170  -3.495962      9.276340 
1 1 1 -20 11 27 o 37.19337 4.577327  -23.41941      9.154654 
1 1 1 -20 11 28 o 14.77079 4.884895  -5.589982      9.769790 
1 1 1 -20 11 29 x ?        ?         ?              ?        
1 1 1 -20 11 30 x ?        ?         ?              ?        
1 1 1 -20 11 31 x ?        ?         ?              ?        
1 1 1 -20 12 1  o 49.43972 4.593383  15.03577       9.186766 
1 1 1 -20 12 2  o 109.7357 3.196112  -0.4676056     6.392224 
1 1 1 -20 12 3  o 106.5320 3.147395  -3.924995      6.294790 
1 1 1 -20 12 4  o 17.83676 5.403862  6.384513       10.80772 
1 1 1 -20 12 5  o 39.51620 5.170105  -22.41210      10.34021 
1 1 1 -20 12 6  o 62.81232 6.670984  ?              ?        
1 1 1 -20 12 7  o 15.50702 4.889319  0.4009609      9.778638 
1 1 1 -20 12 8  o 78.59414 3.421629  -8.656570      6.843258 
1 1 1 -20 12 9  o 101.5941 5.642392  ?              ?        
1 1 1 -20 12 10 o 31.20673 6.193717  -13.67644      12.38743 
1 1 1 -20 12 11 o 68.86075 4.119823  6.603767       8.239647 
1 1 1 -20 12 12 o 76.16116 3.346155  ?              ?        
1 1 1 -20 12 13 o 46.32776 4.053361  2.958275       8.106722 
1 1 1 -20 12 14 o 55.72364 3.652932  -4.537563      7.305865 
1 1 1 -20 12 15 o 34.40861 6.522844  12.32593       13.04569 
1 1 1 -20 12 16 o 51.93986 4.012736  -4.620880      8.025472 
1 1 1 -20 12 17 o 63.94814 3.450321  4.102879       6.900641 
1 1 1 -20 12 18 o 36.42662 5.657368  -6.048805      11.31474 
1 1 1 -20 12 19 o 28.18965 5.526198  -10.37891      11.05240 
1 1 1 -20 12 20 o 25.43332 5.238016  -10.62864      10.47603 
1 1 1 -20 12 21 o 14.63811 6.069843  ?              ?        
1 1 1 -20 12 22 o 30.05975 5.124460  -18.19396      10.24892 
1 1 1 -20 12 23 o 64.89374 3.691066  -23.95802      7.382132 
1 1 1 -20 12 24 o 18.01020 5.166155  -0.6299171     10.33231 
1 1 1 -20 12 25 o 24.63306 5.141110  -11.05177      10.28222 
1 1 1 -20 12 26 o 32.61325 4.852182  -23.91297      9.704364 
1 1 1 -20 12 27 o 33.67203 4.751065  -34.27287      9.502131 
1 1 1 -20 12 28 x ?        ?         ?              ?        
1 1 1 -20 12 29 x ?        ?         ?              ?        
1 1 1 -20 12 30 x ?        ?         ?              ?        
1 1 1 -20 13 1  o 16.22255 5.123210  3.035596       10.24642 
1 1 1 -20 13 2  o 26.11628 5.980284  0.5005283      11.96057 
1 1 1 -20 13 3  o 59.35276 4.031312  2.373947       8.062625 
1 1 1 -20 13 4  o 35.08135 5.583083  20.30837       11.16617 
1 1 1 -20 13 5  o 80.98299 3.486341  2.631065       6.972683 
1 1 1 -20 13 6  o 42.85926 4.986684  -0.5864525     9.973369 
1 1 1 -20 13 7  o 86.73219 3.448660  3.014793       6.897320 
1 1 1 -20 13 8  o 89.63559 3.919058  -4.677940      7.838117 
1 1 1 -20 13 9  o 67.89178 4.272884  -5.231560      8.545768 
1 1 1 -20 13 10 o 17.69164 5.559448  5.908381       11.11890 
1 1 1 -20 13 11 f 31.36697 6.312752  15.91929       12.62550 
1 1 1 -20 13 12 o 25.40801 6.008673  -2.841953      12.01735 
1 1 1 -20 13 13 o 21.45966 5.937336  2.773214       11.87467 
1 1 1 -20 13 14 o 36.62423 5.618141  -4.113327      11.23628 
1 1 1 -20 13 15 o 46.88670 5.671283  -7.623653      11.34257 
1 1 1 -20 13 16 o 17.95222 8.015508  ?              ?        
1 1 1 -20 13 17 o 67.20227 3.930360  -14.17661      7.860719 
1 1 1 -20 13 18 o 47.23988 4.263153  -11.01867      8.526305 
1 1 1 -20 13 19 f 36.16017 5.819149  6.048187       11.63830 
1 1 1 -20 13 20 o 37.37790 4.415077  ?              ?        
1 1 1 -20 13 21 o 17.33175 5.101730  4.211860       10.20346 
1 1 1 -20 13 22 o 49.81895 4.013955  -5.485653      8.027909 
1 1 1 -20 13 23 o 29.36073 5.119601  -12.75273      10.23920 
1 1 1 -20 13 24 o 26.96426 5.615438  -2.201542      11.23088 
1 1 1 -20 13 25 o 22.52962 5.047203  -15.94508      10.09441 
1 1 1 -20 13 26 o 43.25783 4.568888  -24.83769      9.137776 
1 1 1 -20 13 27 x ?        ?         ?              ?        
1 1 1 -20 13 28 x ?        ?         ?              ?        
1 1 1 -20 13 29 x ?        ?         ?              ?        
1 1 1 -20 14 1  o 24.61488 5.179623  -15.44866      10.35925 
1 1 1 -20 14 2  o 23.03088 6.151290  5.163332       12.30258 
1 1 1 -20 14 3  o 21.72349 5.928628  2.784136       11.85726 
1 1 1 -20 14 4  o 57.75865 4.387953  -13.30105      8.775906 
1 1 1 -20 14 5  o 60.36820 7.387054  ?              ?        
1 1 1 -20 14 6  o 49.87734 7.795485  ?              ?        
1 1 1 -20 14 7  o 83.34284 6.176634  ?              ?        
1 1 1 -20 14 8  o 68.98670 4.011800  -8.597519      8.023601 
1 1 1 -20 14 9  o 50.82023 4.522264  ?              ?        
1 1 1 -20 14 10 o 46.39137 5.227797  1.091885       10.45559 
1 1 1 -20 14 11 o 36.07620 6.043254  12.89097       12.08651 
1 1 1 -20 14 12 o 56.57283 5.014551  -11.89914      10.02910 
1 1 1 -20 14 13 o 24.52139 5.750746  -6.850943      11.50149 
1 1 1 -20 14 14 o 22.67624 5.608104  -6.443422      11.21621 
1 1 1 -20 14 15 o 36.36583 5.763012  -11.18056      11.52602 
1 1 1 -20 14 16 o 39.24249 5.092030  -28.99578      10.18406 
1 1 1 -20 14 17 o 22.00898 5.729613  -0.8823776     11.45923 
1 1 1 -20 14 18 o 22.27790 6.027689  -6.957294      12.05538 
1 1 1 -20 14 19 o 59.07318 3.278270  -16.07603      6.556540 
1 1 1 -20 14 20 o 19.33337 5.346602  4.792965       10.69320 
1 1 1 -20 14 21 o 21.89608 4.634846  -11.66777      9.269691 
1 1 1 -20 14 22 o 24.16840 5.507275  -5.854490      11.01455 
1 1 1 -20 14 23 o 16.57632 4.852975  -6.224099      9.705951 
1 1 1 -20 14 24 o 17.55092 4.945505  -8.256799      9.891010 
1 1 1 -20 14 25 o 30.60993 5.372610  -11.40329      10.74522 
1 1 1 -20 14 26 x ?        ?         ?              ?        
1 1 1 -20 14 27 x ?        ?         ?              ?        
1 1 1 -20 14 28 x ?        ?         ?              ?        
1 1 1 -20 15 1  o 89.28554 3.631858  -1.816429      7.263716 
1 1 1 -20 15 2  o 44.73179 5.643935  -11.58807      11.28787 
1 1 1 -20 15 3  o 72.41544 3.799804  -9.207397      7.599607 
1 1 1 -20 15 4  o 16.99314 5.141787  -4.517008      10.28357 
1 1 1 -20 15 5  o 51.84065 8.017334  ?              ?        
1 1 1 -20 15 6  o 109.9809 3.389658  -3.579056      6.779316 
1 1 1 -20 15 7  o 50.08265 5.038857  ?              ?        
1 1 1 -20 15 8  o 28.92663 10.04102  ?              ?        
1 1 1 -20 15 9  o 69.75932 4.002557  4.961662       8.005115 
1 1 1 -20 15 10 o 53.61426 4.466969  14.64894       8.933937 
1 1 1 -20 15 11 o 31.95707 6.336291  -2.304350      12.67258 
1 1 1 -20 15 12 o 40.68683 5.884046  0.4212646      11.76809 
1 1 1 -20 15 13 o 37.26972 5.550285  -20.67076      11.10057 
1 1 1 -20 15 14 o 51.45246 4.537747  -0.6565170     9.075494 
1 1 1 -20 15 15 o 26.61924 6.289815  -9.955126      12.57963 
1 1 1 -20 15 16 o 18.32157 5.072513  -6.920553      10.14503 
1 1 1 -20 15 17 o 18.72356 8.027390  ?              ?        
1 1 1 -20 15 18 o 23.17591 5.484295  -1.376362      10.96859 
1 1 1 -20 15 19 o 20.96898 4.998926  -5.941397      9.997851 
1 1 1 -20 15 20 o 14.87530 4.553869  -1.498667      9.107738 
1 1 1 -20 15 21 f 28.57721 4.866732  -5.238518      9.733463 
1 1 1 -20 15 22 o 24.09488 5.059145  -13.92085      10.11829 
1 1 1 -20 15 23 o 19.72393 4.948135  -13.71012      9.896271 
1 1 1 -20 15 24 o 16.72930 5.033082  -8.061211      10.06616 
1 1 1 -20 15 25 x ?        ?         ?              ?        
1 1 1 -20 15 26 x ?        ?         ?              ?        
1 1 1 -20 15 27 x ?        ?         ?              ?        
1 1 1 -20 16 1  o 34.76126 6.054097  2.464970       12.10819 
1 1 1 -20 16 2  o 51.72385 4.957922  2.521931       9.915843 
1 1 1 -20 16 3  o 28.46698 6.994252  -8.539539      13.98850 
1 1 1 -20 16 4  o 75.96596 3.748870  2.929390       7.497739 
1 1 1 -20 16 5  o 71.64809 3.912966  -6.166443      7.825933 
1 1 1 -20 16 6  o 45.65096 5.159846  ?              ?        
1 1 1 -20 16 7  o 76.44362 3.792760  -3.087868      7.585520 
1 1 1 -20 16 8  o 34.47891 5.949944  3.544247       11.89989 
1 1 1 -20 16 9  o 42.15726 5.566072  -0.7182770     11.13214 
1 1 1 -20 16 10 o 62.06113 4.236415  1.265171       8.472831 
1 1 1 -20 16 11 o 36.12554 5.842797  -1.984604      11.68559 
1 1 1 -20 16 12 o 20.06363 5.510025  -4.295645      11.02005 
1 1 1 -20 16 13 o 26.01277 5.553419  -8.812651      11.10684 
1 1 1 -20 16 14 o 42.81877 5.509761  0.3881340      11.01952 
1 1 1 -20 16 15 o 39.57465 6.077349  -14.33867      12.15470 
1 1 1 -20 16 16 o 81.34741 3.473928  ?              ?        
1 1 1 -20 16 17 o 32.05342 5.247479  -11.57951      10.49496 
1 1 1 -20 16 18 f 24.80534 5.802950  -9.051647      11.60590 
1 1 1 -20 16 19 f 15.56449 4.662700  1.535969       9.325400 
1 1 1 -20 16 20 o 20.92882 4.824094  -5.718229      9.648188 
1 1 1 -20 16 21 o 18.79304 4.852746  -6.384861      9.705491 
1 1 1 -20 16 22 o 26.45483 5.173555  -15.82638      10.34711 
1 1 1 -20 16 23 o 15.13621 4.608423  5.895417       9.216846 
1 1 1 -20 16 24 x ?        ?         ?              ?        
1 1 1 -20 16 25 x ?        ?         ?              ?        
1 1 1 -20 16 26 x ?        ?         ?              ?        
1 1 1 -20 17 1  o 47.93101 5.837150  0.4937897      11.67430 
1 1 1 -20 17 2  o 31.38308 5.618946  19.55658       11.23789 
1 1 1 -20 17 3  o 41.88913 5.407880  ?              ?        
1 1 1 -20 17 4  o 47.85059 5.153024  ?              ?        
1 1 1 -20 17 5  o 18.91889 5.612164  2.120295       11.22433 
1 1 1 -20 17 6  o 53.46554 4.468693  -4.090153      8.937387 
1 1 1 -20 17 7  o 21.18635 5.864529  3.907406       11.72906 
1 1 1 -20 17 8  o 25.98970 5.965881  17.37431       11.93176 
1 1 1 -20 17 9  o 30.21400 6.086955  8.843683       12.17391 
1 1 1 -20 17 10 o 24.63776 6.135214  8.050167       12.27043 
1 1 1 -20 17 11 o 61.59723 4.343951  -10.16923      8.687901 
1 1 1 -20 17 12 o 42.54862 5.886290  -9.658295      11.77258 
1 1 1 -20 17 13 o 45.38338 5.702919  -11.95098      11.40584 
1 1 1 -20 17 14 o 47.42589 4.453255  ?              ?        
1 1 1 -20 17 15 o 49.04182 4.336872  1.472565       8.673743 
1 1 1 -20 17 16 o 46.97980 4.152486  6.793858       8.304972 
1 1 1 -20 17 17 o 24.53528 5.144112  -5.308395      10.28822 
1 1 1 -20 17 18 o 31.79531 7.526318  ?              ?        
1 1 1 -20 17 19 o 25.63951 4.954422  -8.202871      9.908844 
1 1 1 -20 17 20 o 21.72833 5.192669  -2.508932      10.38534 
1 1 1 -20 17 21 o 34.16135 4.821238  -20.64893      9.642476 
1 1 1 -20 17 22 f 18.62009 4.986765  6.011035       9.973530 
1 1 1 -20 17 23 x ?        ?         ?              ?        
1 1 1 -20 17 24 x ?        ?         ?              ?        
1 1 1 -20 17 25 x ?        ?         ?              ?        
1 1 1 -20 18 1  o 12.82485 5.862161  ?              ?        
1 1 1 -20 18 2  o 25.61741 5.927699  6.635773       11.85540 
1 1 1 -20 18 3  o 46.27959 4.449788  11.67248       8.899575 
1 1 1 -20 18 4  o 18.24193 5.340954  -1.813721      10.68191 
1 1 1 -20 18 5  o 43.08153 5.150300  -11.82420      10.30060 
1 1 1 -20 18 6  o 47.54153 4.762048  -4.693321      9.524096 
1 1 1 -20 18 7  o 25.44267 5.972827  -2.058205      11.94565 
1 1 1 -20 18 8  o 18.88844 5.059261  -10.50807      10.11852 
1 1 1 -20 18 9  o 23.85891 5.808855  12.28615       11.61771 
1 1 1 -20 18 10 o 30.91706 6.661243  -4.228838      13.32249 
1 1 1 -20 18 11 o 40.04025 5.995695  3.546055       11.99139 
1 1 1 -20 18 12 o 25.16374 5.264426  -10.57889      10.52885 
1 1 1 -20 18 13 o 44.10635 4.917045  ?              ?        
1 1 1 -20 18 14 o 35.18788 5.160846  0.2431641      10.32169 
1 1 1 -20 18 15 o 20.16394 4.964278  -3.306452      9.928556 
1 1 1 -20 18 16 o 32.74387 4.696224  9.854368       9.392448 
1 1 1 -20 18 17 o 27.06002 4.722162  -11.63248      9.444324 
1 1 1 -20 18 18 o 17.80651 4.932332  4.119428       9.864663 
1 1 1 -20 18 19 o 22.98962 4.879204  -0.1928635     9.758408 
1 1 1 -20 18 20 o 20.69160 5.205650  -11.34376      10.41130 
1 1 1 -20 18 21 o 16.77208 6.922308  ?              ?        
1 1 1 -20 18 22 x ?        ?         ?              ?        
1 1 1 -20 18 23 x ?        ?         ?              ?        
1 1 1 -20 18 24 x ?        ?         ?              ?        
1 1 1 -20 19 1  o 37.69287 8.965395  ?              ?        
1 1 1 -20 19 2  o 24.13903 5.605546  8.335028       11.21109 
1 1 1 -20 19 3  o 51.51687 3.815440  -2.943295      7.630879 
1 1 1 -20 19 4  o 34.47691 4.885768  -0.5122986     9.771536 
1 1 1 -20 19 5  o 31.01329 4.921336  -12.57673      9.842671 
1 1 1 -20 19 6  o 26.91848 5.231351  -10.66535      10.46270 
1 1 1 -20 19 7  o 18.67314 5.103220  -2.909950      10.20644 
1 1 1 -20 19 8  o 24.37167 8.680076  ?              ?        
1 1 1 -20 19 9  o 20.81750 5.685500  -0.4567909     11.37100 
1 1 1 -20 19 10 o 15.37486 4.746493  8.120363       9.492986 
1 1 1 -20 19 11 o 40.19882 5.002945  ?              ?        
1 1 1 -20 19 12 o 15.22096 4.790937  10.34823       9.581875 
1 1 1 -20 19 13 o 30.84159 4.727915  -14.14058      9.455831 
1 1 1 -20 19 14 f 16.73591 4.747294  3.782543       9.494589 
1 1 1 -20 19 15 o 15.58359 4.683791  1.009263       9.367581 
1 1 1 -20 19 16 o 23.24936 4.442259  -13.05854      8.884518 
1 1 1 -20 19 17 o 13.43970 4.006978  -5.298386      8.013955 
1 1 1 -20 19 18 o 11.06594 3.786883  -1.308031      7.573765 
1 1 1 -20 19 19 o 20.79927 5.311237  -11.39557      10.62247 
1 1 1 -20 19 20 x ?        ?         ?              ?        
1 1 1 -20 19 21 x ?        ?         ?              ?        
1 1 1 -20 19 22 x ?        ?         ?              ?        
1 1 1 -20 19 23 x ?        ?         ?              ?        
1 1 1 -20 20 1  o 48.05811 3.659051  1.119213       7.318102 
1 1 1 -20 20 2  o 23.79561 5.194550  0.7694321      10.38910 
1 1 1 -20 20 3  o 22.84364 5.125304  -2.202208      10.25061 
1 1 1 -20 20 4  o 16.47873 4.866583  5.213169       9.733167 
1 1 1 -20 20 5  o 20.31371 4.895003  -11.69126      9.790007 
1 1 1 -20 20 6  o 14.33551 6.621796  ?              ?        
1 1 1 -20 20 7  o 14.17175 4.581872  6.199238       9.163743 
1 1 1 -20 20 8  o 15.32813 4.624613  -1.244081      9.249226 
1 1 1 -20 20 9  o 18.68201 6.719825  ?              ?        
1 1 1 -20 20 10 o 35.77392 4.896844  -7.127796      9.793689 
1 1 1 -20 20 11 o 16.97496 4.823880  7.639966       9.647759 
1 1 1 -20 20 12 o 33.14694 4.718039  0.6067848      9.436077 
1 1 1 -20 20 13 o 12.17061 3.978237  0.5451508      7.956475 
1 1 1 -20 20 14 o 23.96519 4.712245  -6.405161      9.424491 
1 1 1 -20 20 15 o 18.60172 4.549435  -7.758409      9.098870 
1 1 1 -20 20 16 o 13.65725 4.195376  0.3357553      8.390753 
1 1 1 -20 20 17 o 22.23742 5.255444  -14.41748      10.51089 
1 1 1 -20 20 18 o 14.63836 6.330605  ?              ?        
1 1 1 -20 20 19 x ?        ?         ?              ?        
1 1 1 -20 20 20 x ?        ?         ?              ?        
1 1 1 -20 20 21 x ?        ?         ?              ?        
1 1 1 -20 21 1  o 34.87875 4.394605  -2.559265      8.789210 
1 1 1 -20 21 2  o 15.74273 4.594398  -0.2762394     9.188795 
1 1 1 -20 21 3  o 13.83006 4.491189  -7.915866      8.982378 
1 1 1 -20 21 4  o 33.36865 5.599687  0.4392891      11.19937 
1 1 1 -20 21 5  o 15.77547 4.599152  -1.658667      9.198303 
1 1 1 -20 21 6  o 18.17245 6.499809  ?              ?        
1 1 1 -20 21 7  o 14.79492 4.361560  9.545566       8.723121 
1 1 1 -20 21 8  o 17.67767 4.433924  12.46946       8.867848 
1 1 1 -20 21 9  o 10.84275 3.609633  -1.452555      7.219266 
1 1 1 -20 21 10 o 13.68666 4.190838  3.508018       8.381677 
1 1 1 -20 21 11 o 17.48820 4.624815  0.5047550      9.249629 
1 1 1 -20 21 12 o 13.65269 4.161984  6.138615       8.323969 
1 1 1 -20 21 13 o 16.69444 4.589405  -0.4545879     9.178810 
1 1 1 -20 21 14 o 11.06982 3.567263  -5.329342      7.134526 
1 1 1 -20 21 15 o 14.99084 4.754372  -3.320735      9.508743 
1 1 1 -20 21 16 o 13.75753 6.082752  ?              ?        
1 1 1 -20 21 17 x ?        ?         ?              ?        
1 1 1 -20 21 18 x ?        ?         ?              ?        
1 1 1 -20 21 19 x ?        ?         ?              ?        
1 1 1 -20 22 1  o 15.25212 4.861856  -7.198628      9.723713 
1 1 1 -20 22 2  o 25.53892 6.070835  ?              ?        
1 1 1 -20 22 3  o 24.02573 5.970042  ?              ?        
1 1 1 -20 22 4  o 10.51024 4.875912  ?              ?        
1 1 1 -20 22 5  o 17.28980 4.533476  -2.124718      9.066952 
1 1 1 -20 22 6  o 22.27487 4.691727  0.3383827E-01  9.383453 
1 1 1 -20 22 7  o 11.09038 3.554729  -3.357537      7.109459 
1 1 1 -20 22 8  o 10.82653 3.590179  0.5795698      7.180358 
1 1 1 -20 22 9  o 11.32556 3.695353  -0.1025486E-01 7.390706 
1 1 1 -20 22 10 o 27.37051 4.192490  -14.93129      8.384979 
1 1 1 -20 22 11 o 22.94593 4.716630  4.430479       9.433261 
1 1 1 -20 22 12 o 16.58755 4.282485  -7.374625      8.564969 
1 1 1 -20 22 13 o 23.32877 7.364591  ?              ?        
1 1 1 -20 22 14 o 12.78831 5.770325  ?              ?        
1 1 1 -20 22 15 x ?        ?         ?              ?        
1 1 1 -20 22 16 x ?        ?         ?              ?        
1 1 1 -20 23 1  o 14.76241 4.313306  -2.415008      8.626613 
1 1 1 -20 23 2  f 20.59976 4.601443  -8.297222      9.202887 
1 1 1 -20 23 3  o 13.88606 4.113996  -3.201935      8.227991 
1 1 1 -20 23 4  o 12.62566 4.017771  5.380946       8.035542 
1 1 1 -20 23 5  o 13.26840 4.137980  0.2774830      8.275961 
1 1 1 -20 23 6  o 14.56215 4.292376  4.870801       8.584751 
1 1 1 -20 23 7  o 25.17170 4.629890  -4.580446      9.259780 
1 1 1 -20 23 8  o 13.41237 4.143268  2.033304       8.286535 
1 1 1 -20 23 9  o 21.40006 4.805866  9.027349       9.611732 
1 1 1 -20 23 10 o 18.51349 7.160712  ?              ?        
1 1 1 -20 23 11 o 17.74153 7.041381  ?              ?        
1 1 1 -20 23 12 o 15.80529 6.564500  ?              ?        
1 1 1 -20 23 13 x ?        ?         ?              ?        
1 1 1 -19 0  1  o 154.4322 2.660506  -0.000000      0.000000 
1 1 1 -19 0  2  o 63.25142 3.414351  -0.000000      0.000000 
1 1 1 -19 0  3  o 255.7390 3.741975  -0.000000      0.000000 
1 1 1 -19 0  4  o 149.2864 2.571885  0.000000       0.000000 
1 1 1 -19 0  5  o 8.053307 5.259006  0.000000       0.000000 
1 1 1 -19 0  6  o 140.8993 2.526521  -0.000000      0.000000 
1 1 1 -19 0  7  o 105.6837 2.303235  -0.000000      0.000000 
1 1 1 -19 0  8  o 56.83232 2.473109  0.000000       0.000000 
1 1 1 -19 0  9  o 48.25970 4.063843  0.000000       0.000000 
1 1 1 -19 0  10 o 207.4386 3.217809  0.000000       0.000000 
1 1 1 -19 0  11 o 152.6509 3.670654  -0.000000      0.000000 
1 1 1 -19 0  12 o 8.053466 5.271215  -0.000000      0.000000 
1 1 1 -19 0  13 o 71.20737 2.375132  -0.000000      0.000000 
1 1 1 -19 0  14 o 41.73908 3.071095  0.000000       0.000000 
1 1 1 -19 0  15 o 13.54161 6.574548  0.000000       0.000000 
1 1 1 -19 0  16 o 35.76992 3.455131  0.000000       0.000000 
1 1 1 -19 0  17 o 59.52900 2.745350  -0.000000      0.000000 
1 1 1 -19 0  18 o 103.8909 2.544420  0.000000       0.000000 
1 1 1 -19 0  19 o 13.60355 7.112899  -0.000000      0.000000 
1 1 1 -19 0  20 o 64.79807 4.637086  -0.000000      0.000000 
1 1 1 -19 0  21 o 7.339357 5.398073  -0.000000      0.000000 
1 1 1 -19 0  22 o 18.91814 9.903540  0.000000       0.000000 
1 1 1 -19 0  23 o 57.47053 5.764926  -0.000000      0.000000 
1 1 1 -19 0  24 o 69.18199 5.499599  -0.000000      0.000000 
1 1 1 -19 0  25 o 16.91385 9.893513  0.000000       0.000000 
1 1 1 -19 0  26 o 17.32811 7.963133  0.000000       0.000000 
1 1 1 -19 0  27 o 11.57916 7.260613  0.000000       0.000000 
1 1 1 -19 0  28 o 8.201151 5.657144  -0.000000      0.000000 
1 1 1 -19 0  29 o 17.14487 8.287360  0.000000       0.000000 
1 1 1 -19 0  30 o 46.00751 4.220435  0.000000       0.000000 
1 1 1 -19 0  31 o 9.683820 6.434422  0.000000       0.000000 
1 1 1 -19 0  32 o 18.93161 10.15757  -0.000000      0.000000 
1 1 1 -19 0  33 o 10.02949 6.856811  0.000000       0.000000 
1 1 1 -19 0  34 x ?        ?         ?              ?        
1 1 1 -19 1  1  o 131.2425 1.751277  -3.026062      3.502553 
1 1 1 -19 1  2  o 77.85095 2.100995  5.751976       4.201991 
1 1 1 -19 1  3  o 99.72806 1.626567  5.806725       3.253134 
1 1 1 -19 1  4  o 66.12149 1.684430  -6.541981      3.368859 
1 1 1 -19 1  5  o 168.4901 1.961422  2.088669       3.922843 
1 1 1 -19 1  6  o 49.28354 1.910574  8.535992       3.821149 
1 1 1 -19 1  7  o 65.49924 1.710099  -2.585861      3.420199 
1 1 1 -19 1  8  o 143.7883 1.821687  2.683365       3.643374 
1 1 1 -19 1  9  f 102.5553 1.991044  6.925354       3.982088 
1 1 1 -19 1  10 o 103.5316 1.664233  -5.239098      3.328465 
1 1 1 -19 1  11 o 94.97188 2.240779  -2.162224      4.481559 
1 1 1 -19 1  12 o 93.55821 1.665101  2.254478       3.330203 
1 1 1 -19 1  13 f 13.36402 3.607360  -1.343554      7.214721 
1 1 1 -19 1  14 o 87.68890 1.711153  -0.5438843     3.422306 
1 1 1 -19 1  15 o 89.20657 1.700110  -0.1983109     3.400220 
1 1 1 -19 1  16 o 80.39017 1.744355  3.829742       3.488711 
1 1 1 -19 1  17 o 82.69591 1.839667  -2.365105      3.679333 
1 1 1 -19 1  18 o 50.55056 2.157243  10.11213       4.314487 
1 1 1 -19 1  19 o 60.04432 2.693236  -1.733433      5.386472 
1 1 1 -19 1  20 f 53.32452 3.530202  2.243732       7.060403 
1 1 1 -19 1  21 o 87.52859 3.013661  2.221245       6.027323 
1 1 1 -19 1  22 o 78.67481 3.248574  0.6925507      6.497148 
1 1 1 -19 1  23 o 106.5670 3.180593  8.738388       6.361187 
1 1 1 -19 1  24 o 116.7561 3.276296  -7.124352      6.552592 
1 1 1 -19 1  25 o 89.71352 3.535328  2.247070       7.070655 
1 1 1 -19 1  26 o 79.59727 2.250180  -5.618538      4.500360 
1 1 1 -19 1  27 o 23.09850 4.721363  -15.11984      9.442726 
1 1 1 -19 1  28 o 54.30564 2.605175  -7.213383      5.210351 
1 1 1 -19 1  29 o 37.19988 3.419223  -1.144882      6.838446 
1 1 1 -19 1  30 o 19.20893 4.784022  2.538080       9.568045 
1 1 1 -19 1  31 o 37.57180 3.518966  5.043198       7.037931 
1 1 1 -19 1  32 o 16.04148 7.032162  ?              ?        
1 1 1 -19 1  33 o 21.06280 5.645385  -5.770319      11.29077 
1 1 1 -19 1  34 x ?        ?         ?              ?        
1 1 1 -19 2  1  o 70.96316 1.886564  3.021072       3.773128 
1 1 1 -19 2  2  o 105.0644 2.204045  -6.769630      4.408090 
1 1 1 -19 2  3  o 100.5982 1.634250  1.776360       3.268500 
1 1 1 -19 2  4  o 39.41238 2.123063  9.920082       4.246127 
1 1 1 -19 2  5  o 93.31258 1.629196  5.224182       3.258391 
1 1 1 -19 2  6  o 120.4718 1.710630  2.421570       3.421259 
1 1 1 -19 2  7  o 19.20298 2.986644  -14.93075      5.973287 
1 1 1 -19 2  8  o 48.22471 2.697967  -3.757202      5.395934 
1 1 1 -19 2  9  o 149.4568 1.891289  -1.768845      3.782579 
1 1 1 -19 2  10 o 48.03127 2.007151  7.140972       4.014301 
1 1 1 -19 2  11 o 123.0746 2.253990  5.666893       4.507979 
1 1 1 -19 2  12 o 111.3474 1.745610  -4.195160      3.491221 
1 1 1 -19 2  13 o 62.87890 1.823521  -2.307026      3.647041 
1 1 1 -19 2  14 o 39.29491 2.348310  -1.671230      4.696620 
1 1 1 -19 2  15 o 24.81635 3.375150  -3.096697      6.750300 
1 1 1 -19 2  16 o 36.23618 2.530105  4.059765       5.060210 
1 1 1 -19 2  17 o 20.67743 4.785715  10.37333       9.571429 
1 1 1 -19 2  18 o 41.08769 2.533514  -7.169888      5.067028 
1 1 1 -19 2  19 o 62.03577 2.636992  0.5878448E-02  5.273984 
1 1 1 -19 2  20 o 20.45102 5.410026  6.810490       10.82005 
1 1 1 -19 2  21 o 25.93693 5.374853  -9.040543      10.74971 
1 1 1 -19 2  22 o 22.38206 5.675918  13.40022       11.35184 
1 1 1 -19 2  23 o 66.11595 3.558457  -2.127998      7.116914 
1 1 1 -19 2  24 o 80.95284 3.443121  -0.3416519     6.886241 
1 1 1 -19 2  25 o 60.80400 4.020220  -14.71179      8.040440 
1 1 1 -19 2  26 o 16.89281 4.580230  4.871153       9.160460 
1 1 1 -19 2  27 o 31.61792 4.705353  -8.606873      9.410706 
1 1 1 -19 2  28 o 29.73668 4.012200  2.395746       8.024400 
1 1 1 -19 2  29 o 61.22779 2.576195  -9.364864      5.152391 
1 1 1 -19 2  30 o 53.89119 2.769134  -1.893059      5.538267 
1 1 1 -19 2  31 o 34.79024 3.766052  -3.870941      7.532104 
1 1 1 -19 2  32 o 22.74304 8.292920  ?              ?        
1 1 1 -19 2  33 o 27.03930 6.033069  -12.95940      12.06614 
1 1 1 -19 2  34 x ?        ?         ?              ?        
1 1 1 -19 3  1  o 34.72327 3.194431  -14.97997      6.388862 
1 1 1 -19 3  2  o 119.7721 1.753356  -0.4420166     3.506711 
1 1 1 -19 3  3  o 14.59340 3.665605  -0.4387217     7.331211 
1 1 1 -19 3  4  o 79.72199 1.704613  1.195953       3.409226 
1 1 1 -19 3  5  o 64.18092 1.823561  -2.882069      3.647122 
1 1 1 -19 3  6  o 57.79524 1.940364  -4.925159      3.880728 
1 1 1 -19 3  7  o 143.7095 1.864159  -2.083206      3.728318 
1 1 1 -19 3  8  o 75.97927 2.475883  -1.422699      4.951766 
1 1 1 -19 3  9  o 68.63435 1.808755  0.4653168      3.617510 
1 1 1 -19 3  10 o 125.9376 2.109344  2.970634       4.218689 
1 1 1 -19 3  11 o 153.2640 1.965912  -1.821075      3.931824 
1 1 1 -19 3  12 o 66.36270 1.869651  -8.273098      3.739303 
1 1 1 -19 3  13 o 119.3309 1.811882  -6.561165      3.623764 
1 1 1 -19 3  14 o 70.51554 2.076031  4.795898       4.152062 
1 1 1 -19 3  15 o 60.38085 2.016049  -9.639900      4.032099 
1 1 1 -19 3  16 o 66.02925 2.055985  ?              ?        
1 1 1 -19 3  17 o 134.2609 2.809757  -8.713028      5.619513 
1 1 1 -19 3  18 o 65.52648 2.035150  -5.413792      4.070300 
1 1 1 -19 3  19 o 48.13850 3.307574  -2.844330      6.615149 
1 1 1 -19 3  20 o 56.78072 3.424392  -4.236557      6.848784 
1 1 1 -19 3  21 o 76.25869 3.240115  -3.078629      6.480230 
1 1 1 -19 3  22 o 59.47516 3.842721  -3.835827      7.685441 
1 1 1 -19 3  23 o 17.14069 5.394939  3.926863       10.78988 
1 1 1 -19 3  24 o 50.40097 4.862305  26.60170       9.724609 
1 1 1 -19 3  25 o 23.08395 6.140745  4.266705       12.28149 
1 1 1 -19 3  26 o 19.76551 5.220615  -9.100516      10.44123 
1 1 1 -19 3  27 o 21.81906 5.416852  1.778229       10.83370 
1 1 1 -19 3  28 o 16.56245 4.613411  -2.568621      9.226822 
1 1 1 -19 3  29 o 44.98532 3.134688  -7.891685      6.269377 
1 1 1 -19 3  30 o 29.63676 6.219726  ?              ?        
1 1 1 -19 3  31 o 19.53458 4.611580  -8.151979      9.223160 
1 1 1 -19 3  32 o 16.85736 7.298774  ?              ?        
1 1 1 -19 3  33 o 23.04551 5.796737  -9.470896      11.59347 
1 1 1 -19 3  34 x ?        ?         ?              ?        
1 1 1 -19 4  1  o 44.39626 3.913466  -4.149601      7.826933 
1 1 1 -19 4  2  o 61.77576 1.904643  -5.374653      3.809286 
1 1 1 -19 4  3  o 64.50746 1.913394  -7.947166      3.826788 
1 1 1 -19 4  4  o 94.85017 1.761659  -0.6540070     3.523318 
1 1 1 -19 4  5  o 63.44063 1.878262  2.988903       3.756524 
1 1 1 -19 4  6  o 153.7003 1.986247  -1.518173      3.972494 
1 1 1 -19 4  7  o 59.21243 2.844937  -9.476929      5.689875 
1 1 1 -19 4  8  o 111.8033 2.091275  0.6777267      4.182550 
1 1 1 -19 4  9  o 160.9325 2.052876  5.476456       4.105752 
1 1 1 -19 4  10 o 154.2527 2.847334  -6.851929      5.694669 
1 1 1 -19 4  11 o 91.63541 1.817457  -3.277756      3.634915 
1 1 1 -19 4  12 o 62.57494 1.989439  2.594395       3.978877 
1 1 1 -19 4  13 o 37.93360 2.613091  -0.9599953     5.226182 
1 1 1 -19 4  14 o 103.8856 2.679029  -6.685013      5.358058 
1 1 1 -19 4  15 o 71.36165 2.215188  4.765610       4.430376 
1 1 1 -19 4  16 o 71.72825 1.981529  -3.555267      3.963058 
1 1 1 -19 4  17 o 33.26053 3.520449  -3.368336      7.040898 
1 1 1 -19 4  18 o 22.81441 4.147955  -0.6742268     8.295910 
1 1 1 -19 4  19 o 32.69598 4.792936  -6.496225      9.585873 
1 1 1 -19 4  20 o 22.49175 5.315210  -6.394009      10.63042 
1 1 1 -19 4  21 o 17.08229 5.149681  3.321467       10.29936 
1 1 1 -19 4  22 o 65.43745 3.862085  -10.91238      7.724169 
1 1 1 -19 4  23 o 74.16605 3.690281  -0.1652451     7.380562 
1 1 1 -19 4  24 o 16.27924 5.302433  3.266523       10.60487 
1 1 1 -19 4  25 o 23.98945 6.275288  1.187471       12.55058 
1 1 1 -19 4  26 o 50.83010 3.697125  1.201145       7.394249 
1 1 1 -19 4  27 o 67.39758 2.550754  -16.66814      5.101509 
1 1 1 -19 4  28 o 18.56213 4.803686  7.777306       9.607372 
1 1 1 -19 4  29 o 62.18342 2.553876  -6.825474      5.107752 
1 1 1 -19 4  30 o 15.48887 4.554971  -0.9584551     9.109942 
1 1 1 -19 4  31 o 34.09776 4.154506  -16.29181      8.309012 
1 1 1 -19 4  32 o 23.91116 6.146866  -0.8303280     12.29373 
1 1 1 -19 4  33 x ?        ?         ?              ?        
1 1 1 -19 4  34 x ?        ?         ?              ?        
1 1 1 -19 5  1  o 52.43389 2.376050  -13.55007      4.752100 
1 1 1 -19 5  2  o 81.25136 1.938090  0.5044479      3.876180 
1 1 1 -19 5  3  o 52.41347 2.236006  2.344894       4.472013 
1 1 1 -19 5  4  o 63.52560 2.037363  -2.504330      4.074727 
1 1 1 -19 5  5  o 90.27903 1.889360  2.664383       3.778721 
1 1 1 -19 5  6  o 46.79102 2.617849  -10.80382      5.235697 
1 1 1 -19 5  7  o 57.88723 2.667572  3.260448       5.335145 
1 1 1 -19 5  8  o 44.53655 2.440616  7.379925       4.881233 
1 1 1 -19 5  9  o 64.90515 2.369952  5.866508       4.739905 
1 1 1 -19 5  10 o 153.4888 2.124227  4.577621       4.248454 
1 1 1 -19 5  11 o 69.79665 2.023162  4.830467       4.046325 
1 1 1 -19 5  12 o 159.2536 2.140518  -6.931854      4.281036 
1 1 1 -19 5  13 o 136.6738 2.018658  -3.918182      4.037317 
1 1 1 -19 5  14 o 67.69281 3.036441  -0.7436371E-01 6.072882 
1 1 1 -19 5  15 f 63.30678 3.006250  -7.657833      6.012499 
1 1 1 -19 5  16 o 75.22344 2.815835  -9.445221      5.631670 
1 1 1 -19 5  17 f 59.82430 2.238553  -5.445164      4.477106 
1 1 1 -19 5  18 o 101.2141 2.876497  -2.302132      5.752995 
1 1 1 -19 5  19 o 45.40865 2.895779  0.4605522      5.791559 
1 1 1 -19 5  20 o 74.34445 3.283965  6.320976       6.567930 
1 1 1 -19 5  21 o 49.64320 4.160325  6.286598       8.320649 
1 1 1 -19 5  22 o 29.96685 5.753982  12.81555       11.50796 
1 1 1 -19 5  23 o 24.90285 6.232062  6.571062       12.46412 
1 1 1 -19 5  24 o 23.81224 5.719967  -7.690840      11.43993 
1 1 1 -19 5  25 o 36.00449 5.894533  1.966801       11.78907 
1 1 1 -19 5  26 o 57.15866 6.329376  ?              ?        
1 1 1 -19 5  27 o 42.87035 3.321857  -4.607128      6.643715 
1 1 1 -19 5  28 o 20.73666 4.588420  -8.638187      9.176841 
1 1 1 -19 5  29 o 23.73317 4.718434  1.267530       9.436869 
1 1 1 -19 5  30 o 18.66103 4.890058  -0.3627510     9.780115 
1 1 1 -19 5  31 o 21.67296 5.555108  -6.758327      11.11022 
1 1 1 -19 5  32 o 21.62521 5.719563  -8.185385      11.43913 
1 1 1 -19 5  33 x ?        ?         ?              ?        
1 1 1 -19 5  34 x ?        ?         ?              ?        
1 1 1 -19 6  1  f 89.27055 1.983920  1.546555       3.967839 
1 1 1 -19 6  2  o 52.39641 2.375931  0.8560486      4.751862 
1 1 1 -19 6  3  o 44.51704 2.811941  -11.38209      5.623883 
1 1 1 -19 6  4  f 90.87305 1.991009  -3.302277      3.982017 
1 1 1 -19 6  5  o 149.2355 2.122695  -1.669174      4.245391 
1 1 1 -19 6  6  o 83.90025 2.500455  -2.896606      5.000910 
1 1 1 -19 6  7  o 74.46074 2.313618  0.5614090      4.627235 
1 1 1 -19 6  8  o 88.53712 2.338724  7.065033       4.677448 
1 1 1 -19 6  9  o 154.8237 2.868296  -3.545700      5.736591 
1 1 1 -19 6  10 o 46.76656 2.663187  -1.258450      5.326373 
1 1 1 -19 6  11 o 97.50251 2.026907  -0.8205261     4.053814 
1 1 1 -19 6  12 o 68.06113 2.143143  2.528671       4.286287 
1 1 1 -19 6  13 o 49.25312 2.800655  -11.07438      5.601310 
1 1 1 -19 6  14 o 57.98960 3.462018  9.767479       6.924036 
1 1 1 -19 6  15 o 35.64537 4.940043  -5.813145      9.880086 
1 1 1 -19 6  16 o 50.87141 2.894357  -0.5681648     5.788713 
1 1 1 -19 6  17 o 75.82182 2.214058  0.4908829      4.428116 
1 1 1 -19 6  18 o 56.09869 3.824544  -7.359863      7.649087 
1 1 1 -19 6  19 o 85.66643 3.046742  -5.346245      6.093483 
1 1 1 -19 6  20 o 48.60979 4.319534  -4.294842      8.639069 
1 1 1 -19 6  21 o 98.01041 3.377402  -8.591408      6.754804 
1 1 1 -19 6  22 o 66.27181 3.917539  -11.09206      7.835078 
1 1 1 -19 6  23 o 53.32853 4.514059  1.044708       9.028118 
1 1 1 -19 6  24 o 21.41517 4.993102  -12.83021      9.986203 
1 1 1 -19 6  25 o 54.95985 4.363636  2.543941       8.727272 
1 1 1 -19 6  26 o 30.07486 9.559050  ?              ?        
1 1 1 -19 6  27 o 42.21078 3.504619  -6.888237      7.009239 
1 1 1 -19 6  28 o 45.92422 3.177614  -11.61525      6.355229 
1 1 1 -19 6  29 f 19.01478 7.245517  ?              ?        
1 1 1 -19 6  30 o 17.64930 4.785107  3.357953       9.570214 
1 1 1 -19 6  31 o 15.02090 4.802978  -7.392953      9.605956 
1 1 1 -19 6  32 o 43.24718 5.236833  -27.85917      10.47367 
1 1 1 -19 6  33 x ?        ?         ?              ?        
1 1 1 -19 7  1  o 31.05412 3.957506  3.770292       7.915012 
1 1 1 -19 7  2  o 48.87193 3.194115  -4.788589      6.388231 
1 1 1 -19 7  3  o 62.05709 2.292031  6.811085       4.584061 
1 1 1 -19 7  4  o 91.99109 2.141498  5.525543       4.282996 
1 1 1 -19 7  5  o 63.15710 2.756335  -0.2100639     5.512671 
1 1 1 -19 7  6  o 63.32858 2.560054  7.491730       5.120108 
1 1 1 -19 7  7  o 111.1189 2.515481  -4.594452      5.030962 
1 1 1 -19 7  8  o 110.2160 3.000271  -11.08349      6.000542 
1 1 1 -19 7  9  o 138.0785 2.202587  -1.906708      4.405174 
1 1 1 -19 7  10 o 126.5586 2.151268  -0.5053787     4.302537 
1 1 1 -19 7  11 o 114.8109 2.111603  -2.599693      4.223206 
1 1 1 -19 7  12 o 34.00061 3.495977  -0.3231850     6.991954 
1 1 1 -19 7  13 o 60.14751 2.508775  7.247326       5.017550 
1 1 1 -19 7  14 o 75.37849 3.298231  -7.588013      6.596463 
1 1 1 -19 7  15 o 98.29546 3.199439  2.285492       6.398879 
1 1 1 -19 7  16 o 86.85907 2.250097  -1.476906      4.500194 
1 1 1 -19 7  17 o 24.81753 5.905191  2.057438       11.81038 
1 1 1 -19 7  18 o 51.17631 2.961159  4.216133       5.922319 
1 1 1 -19 7  19 o 42.36410 4.278887  14.91869       8.557774 
1 1 1 -19 7  20 o 89.64284 3.470718  -7.416100      6.941436 
1 1 1 -19 7  21 o 111.6926 3.351283  -10.80529      6.702567 
1 1 1 -19 7  22 f 45.33089 4.625946  12.34468       9.251892 
1 1 1 -19 7  23 o 26.29262 4.952507  -17.48973      9.905015 
1 1 1 -19 7  24 o 21.71593 5.915982  -1.178833      11.83196 
1 1 1 -19 7  25 o 58.00254 4.481385  ?              ?        
1 1 1 -19 7  26 o 43.91524 4.348990  -16.69268      8.697980 
1 1 1 -19 7  27 o 30.28039 4.654787  -6.895023      9.309574 
1 1 1 -19 7  28 o 49.03680 3.486382  -18.03555      6.972765 
1 1 1 -19 7  29 o 17.97117 4.826628  5.062141       9.653255 
1 1 1 -19 7  30 o 18.81972 4.675039  -6.782398      9.350078 
1 1 1 -19 7  31 o 13.07795 4.377846  -1.854116      8.755692 
1 1 1 -19 7  32 x ?        ?         ?              ?        
1 1 1 -19 7  33 x ?        ?         ?              ?        
1 1 1 -19 8  1  o 88.97615 2.633072  3.093925       5.266144 
1 1 1 -19 8  2  o 90.21973 2.645068  -5.705772      5.290137 
1 1 1 -19 8  3  o 46.11133 3.173494  1.956841       6.346987 
1 1 1 -19 8  4  o 88.75137 2.696309  0.6501770      5.392617 
1 1 1 -19 8  5  o 192.2888 2.941431  7.578735       5.882862 
1 1 1 -19 8  6  o 187.1770 2.946654  1.381317       5.893307 
1 1 1 -19 8  7  o 50.40390 2.773265  4.699707       5.546530 
1 1 1 -19 8  8  o 78.88460 2.257171  -0.3951950     4.514342 
1 1 1 -19 8  9  o 28.61061 4.315609  -6.276638      8.631218 
1 1 1 -19 8  10 o 75.30426 2.355528  -0.3912506     4.711056 
1 1 1 -19 8  11 o 136.4770 2.262869  -4.903442      4.525738 
1 1 1 -19 8  12 o 73.26518 2.342248  0.4242401      4.684495 
1 1 1 -19 8  13 o 53.31470 2.792866  -0.7946701     5.585732 
1 1 1 -19 8  14 o 37.05715 4.868705  -10.01364      9.737410 
1 1 1 -19 8  15 o 64.83092 2.738173  -8.880608      5.476346 
1 1 1 -19 8  16 o 91.20674 2.761495  13.43457       5.522991 
1 1 1 -19 8  17 o 61.04581 2.987598  -15.59508      5.975195 
1 1 1 -19 8  18 o 125.1599 2.372673  -0.1413040     4.745346 
1 1 1 -19 8  19 o 38.34399 4.963736  19.13560       9.927472 
1 1 1 -19 8  20 o 115.5041 3.346644  -2.964577      6.693289 
1 1 1 -19 8  21 o 75.41963 3.738427  -1.876572      7.476853 
1 1 1 -19 8  22 o 48.94014 4.481165  4.393940       8.962330 
1 1 1 -19 8  23 o 30.96663 5.822744  3.238943       11.64549 
1 1 1 -19 8  24 o 49.78562 4.945387  -11.85640      9.890774 
1 1 1 -19 8  25 x ?        ?         ?              ?        
1 1 1 -19 8  26 o 22.52849 5.475105  8.183718       10.95021 
1 1 1 -19 8  27 o 23.74196 4.630385  -12.14627      9.260771 
1 1 1 -19 8  28 o 24.79172 4.878175  -4.323965      9.756350 
1 1 1 -19 8  29 o 23.80913 7.246224  ?              ?        
1 1 1 -19 8  30 o 50.54487 4.739216  -33.29415      9.478432 
1 1 1 -19 8  31 o 30.68568 6.408688  -1.512138      12.81738 
1 1 1 -19 8  32 x ?        ?         ?              ?        
1 1 1 -19 8  33 x ?        ?         ?              ?        
1 1 1 -19 9  1  o 69.36523 2.930651  5.372849       5.861303 
1 1 1 -19 9  2  o 31.95971 4.608487  5.337915       9.216974 
1 1 1 -19 9  3  o 46.49600 3.586417  -6.116211      7.172835 
1 1 1 -19 9  4  o 53.06292 3.759852  -4.862389      7.519705 
1 1 1 -19 9  5  o 94.29750 3.098497  -2.274506      6.196994 
1 1 1 -19 9  6  o 15.90390 5.791630  ?              ?        
1 1 1 -19 9  7  o 55.61398 2.695444  7.548508       5.390887 
1 1 1 -19 9  8  o 112.5450 2.310649  -4.236809      4.621298 
1 1 1 -19 9  9  o 100.1649 2.307634  11.43179       4.615268 
1 1 1 -19 9  10 o 82.43786 2.404255  -8.278305      4.808509 
1 1 1 -19 9  11 o 44.85489 3.371594  -7.116341      6.743188 
1 1 1 -19 9  12 o 121.3776 2.347170  -4.553703      4.694340 
1 1 1 -19 9  13 o 97.17363 2.847187  9.361534       5.694375 
1 1 1 -19 9  14 f 32.42776 4.528677  18.57389       9.057353 
1 1 1 -19 9  15 o 38.63890 4.838883  -22.93083      9.677766 
1 1 1 -19 9  16 o 44.27211 4.981085  12.20805       9.962170 
1 1 1 -19 9  17 o 50.19590 3.362044  -5.356125      6.724087 
1 1 1 -19 9  18 o 62.02816 3.053152  -4.017467      6.106303 
1 1 1 -19 9  19 o 85.20161 3.501288  0.4012299E-01  7.002576 
1 1 1 -19 9  20 f 64.58250 4.177648  -18.06359      8.355295 
1 1 1 -19 9  21 o 45.92397 5.360009  -3.096409      10.72002 
1 1 1 -19 9  22 o 13.77641 4.740237  6.416231       9.480474 
1 1 1 -19 9  23 o 50.93233 4.268235  7.212009       8.536470 
1 1 1 -19 9  24 x ?        ?         ?              ?        
1 1 1 -19 9  25 o 19.05731 5.669386  7.428289       11.33877 
1 1 1 -19 9  26 o 31.75749 4.414250  -26.52490      8.828501 
1 1 1 -19 9  27 o 30.56844 4.442884  -17.76960      8.885768 
1 1 1 -19 9  28 o 31.98389 4.197554  7.680607       8.395108 
1 1 1 -19 9  29 o 24.48677 5.008940  2.489325       10.01788 
1 1 1 -19 9  30 o 20.13543 5.655880  -7.584723      11.31176 
1 1 1 -19 9  31 x ?        ?         ?              ?        
1 1 1 -19 9  32 x ?        ?         ?              ?        
1 1 1 -19 10 1  o 97.83041 2.854739  -2.433723      5.709477 
1 1 1 -19 10 2  f 85.92672 2.903607  -6.230560      5.807213 
1 1 1 -19 10 3  o 94.35343 5.007442  ?              ?        
1 1 1 -19 10 4  o 95.34337 2.882442  -13.80818      5.764884 
1 1 1 -19 10 5  o 30.73664 4.660385  ?              ?        
1 1 1 -19 10 6  o 99.33636 2.870087  -13.80052      5.740174 
1 1 1 -19 10 7  o 70.13477 3.091945  -0.9259415     6.183890 
1 1 1 -19 10 8  f 23.54684 5.313079  0.5033512      10.62616 
1 1 1 -19 10 9  o 40.95639 3.687739  -2.756004      7.375478 
1 1 1 -19 10 10 o 62.59470 2.891388  -4.638382      5.782777 
1 1 1 -19 10 11 o 86.55104 2.551651  -1.395775      5.103303 
1 1 1 -19 10 12 o 93.00973 3.116441  -6.012619      6.232882 
1 1 1 -19 10 13 o 15.68177 4.804130  1.921930       9.608259 
1 1 1 -19 10 14 o 57.83580 3.456266  -2.700172      6.912532 
1 1 1 -19 10 15 o 50.12158 4.704672  10.53490       9.409345 
1 1 1 -19 10 16 o 110.4406 2.534771  -0.6584549     5.069542 
1 1 1 -19 10 17 o 103.5413 2.592169  -7.264236      5.184337 
1 1 1 -19 10 18 o 45.08241 4.486825  -10.03088      8.973651 
1 1 1 -19 10 19 o 80.32169 3.470240  1.864998       6.940481 
1 1 1 -19 10 20 o 42.12883 5.063979  6.665966       10.12796 
1 1 1 -19 10 21 o 45.04555 5.407271  -3.496254      10.81454 
1 1 1 -19 10 22 o 86.54292 3.708603  -19.07018      7.417207 
1 1 1 -19 10 23 x ?        ?         ?              ?        
1 1 1 -19 10 24 o 36.38600 5.570114  7.917919       11.14023 
1 1 1 -19 10 25 o 39.96823 5.277137  -0.6810951     10.55427 
1 1 1 -19 10 26 o 38.53725 4.486750  -27.16618      8.973499 
1 1 1 -19 10 27 o 15.12131 4.396515  -5.057229      8.793030 
1 1 1 -19 10 28 o 19.25132 4.138724  -15.94447      8.277448 
1 1 1 -19 10 29 o 15.85522 5.075793  -1.266579      10.15159 
1 1 1 -19 10 30 o 14.23828 4.581161  2.904667       9.162321 
1 1 1 -19 10 31 x ?        ?         ?              ?        
1 1 1 -19 10 32 x ?        ?         ?              ?        
1 1 1 -19 11 1  o 62.09646 5.894851  ?              ?        
1 1 1 -19 11 2  o 80.57167 3.061299  7.662415       6.122597 
1 1 1 -19 11 3  f 104.4482 3.185117  8.818878       6.370235 
1 1 1 -19 11 4  o 116.6560 3.046251  ?              ?        
1 1 1 -19 11 5  o 151.3832 3.062033  3.407761       6.124067 
1 1 1 -19 11 6  o 152.3256 3.003433  -1.471359      6.006867 
1 1 1 -19 11 7  o 41.79709 4.130021  15.12861       8.260042 
1 1 1 -19 11 8  o 58.25175 3.434979  10.12476       6.869959 
1 1 1 -19 11 9  o 36.27341 4.786662  -0.4251823     9.573324 
1 1 1 -19 11 10 o 95.90507 3.070716  12.56230       6.141431 
1 1 1 -19 11 11 o 57.68759 3.815339  -4.017685      7.630677 
1 1 1 -19 11 12 o 54.26015 3.862059  -8.163254      7.724117 
1 1 1 -19 11 13 o 98.07604 3.096369  9.671921       6.192738 
1 1 1 -19 11 14 o 28.82540 6.700605  10.16493       13.40121 
1 1 1 -19 11 15 o 26.76599 5.031758  -9.123861      10.06352 
1 1 1 -19 11 16 o 53.19663 3.620602  12.60471       7.241203 
1 1 1 -19 11 17 o 18.62929 5.129537  -2.923227      10.25907 
1 1 1 -19 11 18 o 49.52233 3.991848  -7.714283      7.983696 
1 1 1 -19 11 19 o 53.98748 5.270988  -11.84491      10.54198 
1 1 1 -19 11 20 o 70.32172 3.872115  -0.7042618     7.744231 
1 1 1 -19 11 21 o 43.88561 5.467814  -18.58163      10.93563 
1 1 1 -19 11 22 o 30.36914 5.845644  -6.567020      11.69129 
1 1 1 -19 11 23 o 63.09586 4.203515  -6.306721      8.407029 
1 1 1 -19 11 24 o 47.75011 4.441869  -2.802959      8.883739 
1 1 1 -19 11 25 f 39.59882 5.273901  -17.53804      10.54780 
1 1 1 -19 11 26 o 14.50669 4.534470  -6.309788      9.068939 
1 1 1 -19 11 27 o 63.52302 3.194390  -29.57641      6.388780 
1 1 1 -19 11 28 o 13.36021 4.500983  -4.505289      9.001966 
1 1 1 -19 11 29 o 29.40474 5.592040  -20.24893      11.18408 
1 1 1 -19 11 30 x ?        ?         ?              ?        
1 1 1 -19 11 31 x ?        ?         ?              ?        
1 1 1 -19 12 1  o 68.60098 3.487380  -7.179970      6.974760 
1 1 1 -19 12 2  o 24.65374 6.838109  ?              ?        
1 1 1 -19 12 3  o 73.05370 3.508379  3.005516       7.016757 
1 1 1 -19 12 4  o 45.77843 4.676682  -2.060448      9.353365 
1 1 1 -19 12 5  o 68.81366 3.352197  10.72893       6.704394 
1 1 1 -19 12 6  o 96.11110 3.202072  -3.038612      6.404145 
1 1 1 -19 12 7  o 41.63122 4.913435  -10.47372      9.826871 
1 1 1 -19 12 8  o 30.58760 5.447172  -6.673449      10.89434 
1 1 1 -19 12 9  o 68.70360 3.586180  -3.836334      7.172359 
1 1 1 -19 12 10 o 29.83321 5.816700  -1.429632      11.63340 
1 1 1 -19 12 11 o 38.38206 5.202152  16.13966       10.40430 
1 1 1 -19 12 12 o 55.49811 4.696061  25.95915       9.392122 
1 1 1 -19 12 13 o 55.34435 5.327041  -1.057507      10.65408 
1 1 1 -19 12 14 o 25.41657 5.811457  6.352785       11.62291 
1 1 1 -19 12 15 o 57.48656 3.520353  -5.188366      7.040706 
1 1 1 -19 12 16 o 34.07436 6.521987  -11.31115      13.04397 
1 1 1 -19 12 17 o 27.99277 5.798896  5.089037       11.59779 
1 1 1 -19 12 18 o 38.49484 5.001595  -4.638950      10.00319 
1 1 1 -19 12 19 o 34.26038 5.865880  -3.095112      11.73176 
1 1 1 -19 12 20 o 35.15572 6.102134  6.468729       12.20427 
1 1 1 -19 12 21 o 33.26185 6.115802  -1.130104      12.23160 
1 1 1 -19 12 22 o 37.29393 5.663944  -0.4845772     11.32789 
1 1 1 -19 12 23 o 25.84106 5.804028  -3.742453      11.60806 
1 1 1 -19 12 24 o 35.45797 4.863577  -25.54617      9.727155 
1 1 1 -19 12 25 o 14.28435 4.371555  -5.800725      8.743110 
1 1 1 -19 12 26 o 19.43261 5.081311  -3.634382      10.16262 
1 1 1 -19 12 27 o 12.89288 4.137436  -7.641841      8.274873 
1 1 1 -19 12 28 o 44.52539 4.888807  -27.60808      9.777615 
1 1 1 -19 12 29 x ?        ?         ?              ?        
1 1 1 -19 12 30 x ?        ?         ?              ?        
1 1 1 -19 12 31 x ?        ?         ?              ?        
1 1 1 -19 13 1  o 133.9015 3.434875  ?              ?        
1 1 1 -19 13 2  o 76.26773 3.486579  0.5895233      6.973158 
1 1 1 -19 13 3  o 19.97028 5.012364  -10.69060      10.02473 
1 1 1 -19 13 4  o 31.66035 5.405154  -8.333368      10.81031 
1 1 1 -19 13 5  o 70.54503 3.606298  7.519386       7.212596 
1 1 1 -19 13 6  o 56.63553 3.990722  0.7964668      7.981445 
1 1 1 -19 13 7  o 42.42741 5.150923  -3.784977      10.30185 
1 1 1 -19 13 8  o 23.62755 5.863511  -0.9400425     11.72702 
1 1 1 -19 13 9  o 23.25659 6.236746  2.515524       12.47349 
1 1 1 -19 13 10 o 56.23360 4.594401  -0.3938713     9.188802 
1 1 1 -19 13 11 o 48.87231 5.383699  2.638691       10.76740 
1 1 1 -19 13 12 o 24.92797 5.681275  -7.607229      11.36255 
1 1 1 -19 13 13 o 43.03372 5.465200  -2.951744      10.93040 
1 1 1 -19 13 14 o 91.82761 3.427807  5.851120       6.855614 
1 1 1 -19 13 15 o 91.55280 3.403334  6.165718       6.806669 
1 1 1 -19 13 16 o 29.12106 6.760999  -7.992628      13.52200 
1 1 1 -19 13 17 o 54.96669 3.905886  -9.348160      7.811772 
1 1 1 -19 13 18 o 58.94588 4.574098  -7.045734      9.148195 
1 1 1 -19 13 19 o 65.28552 4.287891  -11.15565      8.575782 
1 1 1 -19 13 20 o 57.13237 4.290478  -2.489574      8.580956 
1 1 1 -19 13 21 o 28.29178 5.832788  5.514236       11.66558 
1 1 1 -19 13 22 o 21.11582 5.508390  10.53505       11.01678 
1 1 1 -19 13 23 o 54.28389 3.959447  -15.05965      7.918893 
1 1 1 -19 13 24 o 24.75187 5.049828  -16.67651      10.09966 
1 1 1 -19 13 25 o 15.34707 4.635469  -5.190689      9.270938 
1 1 1 -19 13 26 o 16.52034 4.797599  -1.778417      9.595198 
1 1 1 -19 13 27 o 33.28458 4.913319  -25.19927      9.826638 
1 1 1 -19 13 28 x ?        ?         ?              ?        
1 1 1 -19 13 29 x ?        ?         ?              ?        
1 1 1 -19 13 30 x ?        ?         ?              ?        
1 1 1 -19 14 1  o 20.48781 5.800679  2.474731       11.60136 
1 1 1 -19 14 2  o 32.36887 6.064866  1.592913       12.12973 
1 1 1 -19 14 3  o 39.17453 5.525007  11.57528       11.05001 
1 1 1 -19 14 4  o 42.77153 4.680169  7.917133       9.360338 
1 1 1 -19 14 5  o 23.28773 6.254703  5.446337       12.50941 
1 1 1 -19 14 6  o 99.46584 3.324981  1.917458       6.649963 
1 1 1 -19 14 7  f 101.6848 3.384017  11.96149       6.768033 
1 1 1 -19 14 8  o 57.69546 7.496240  ?              ?        
1 1 1 -19 14 9  o 67.20729 4.049428  -0.2731094     8.098857 
1 1 1 -19 14 10 o 43.47859 5.281476  ?              ?        
1 1 1 -19 14 11 o 39.75937 5.809325  -11.32931      11.61865 
1 1 1 -19 14 12 o 18.40427 5.219189  -5.412560      10.43838 
1 1 1 -19 14 13 o 108.7519 3.464599  -4.129997      6.929198 
1 1 1 -19 14 14 o 107.5190 3.470005  -6.642227      6.940009 
1 1 1 -19 14 15 o 25.39739 6.210633  -0.4069328     12.42127 
1 1 1 -19 14 16 o 35.40032 6.317903  2.625889       12.63581 
1 1 1 -19 14 17 o 104.2011 3.353828  0.1422501      6.707656 
1 1 1 -19 14 18 o 18.38985 5.316234  -3.157534      10.63247 
1 1 1 -19 14 19 o 20.83055 5.956704  12.31226       11.91341 
1 1 1 -19 14 20 o 33.47979 5.174901  2.023262       10.34980 
1 1 1 -19 14 21 o 36.61962 5.327928  -11.79335      10.65586 
1 1 1 -19 14 22 o 37.95560 4.607662  -39.31865      9.215324 
1 1 1 -19 14 23 o 27.74218 4.722296  -21.42419      9.444592 
1 1 1 -19 14 24 o 12.06737 4.008493  -3.029373      8.016987 
1 1 1 -19 14 25 o 31.28230 4.797362  -4.802586      9.594724 
1 1 1 -19 14 26 o 41.86036 4.552764  -4.548298      9.105528 
1 1 1 -19 14 27 x ?        ?         ?              ?        
1 1 1 -19 14 28 x ?        ?         ?              ?        
1 1 1 -19 14 29 x ?        ?         ?              ?        
1 1 1 -19 15 1  o 18.73846 5.725812  3.272812       11.45162 
1 1 1 -19 15 2  o 95.11392 3.432041  -2.251305      6.864082 
1 1 1 -19 15 3  o 64.15171 3.962013  8.806957       7.924026 
1 1 1 -19 15 4  o 35.70133 5.869231  -5.892841      11.73846 
1 1 1 -19 15 5  o 135.8745 3.333034  7.206924       6.666068 
1 1 1 -19 15 6  o 48.97477 7.908664  ?              ?        
1 1 1 -19 15 7  o 96.62791 3.551894  11.02034       7.103789 
1 1 1 -19 15 8  o 101.1031 3.631037  ?              ?        
1 1 1 -19 15 9  o 57.07352 4.578262  -0.3336067     9.156524 
1 1 1 -19 15 10 o 34.42194 5.923603  -10.18373      11.84721 
1 1 1 -19 15 11 o 51.93300 5.142262  -14.93039      10.28452 
1 1 1 -19 15 12 o 46.43210 5.638848  -11.32443      11.27770 
1 1 1 -19 15 13 o 19.16491 5.811221  2.379940       11.62244 
1 1 1 -19 15 14 o 77.73134 3.826518  -0.2064896     7.653036 
1 1 1 -19 15 15 o 30.56120 6.405143  7.315323       12.81029 
1 1 1 -19 15 16 o 43.23451 5.883967  5.057426       11.76793 
1 1 1 -19 15 17 o 30.04860 6.093116  6.980246       12.18623 
1 1 1 -19 15 18 o 45.68946 6.585258  ?              ?        
1 1 1 -19 15 19 o 18.72626 5.012645  -6.561555      10.02529 
1 1 1 -19 15 20 o 24.37767 5.213119  -6.443945      10.42624 
1 1 1 -19 15 21 o 22.08398 5.581555  9.096962       11.16311 
1 1 1 -19 15 22 o 18.02695 5.218012  -4.571482      10.43602 
1 1 1 -19 15 23 o 19.98680 4.950425  -13.15956      9.900850 
1 1 1 -19 15 24 o 15.06210 4.776859  -3.109414      9.553718 
1 1 1 -19 15 25 o 31.91229 5.455085  -1.725885      10.91017 
1 1 1 -19 15 26 x ?        ?         ?              ?        
1 1 1 -19 15 27 x ?        ?         ?              ?        
1 1 1 -19 15 28 x ?        ?         ?              ?        
1 1 1 -19 16 1  o 53.65647 4.923554  -0.6060982     9.847109 
1 1 1 -19 16 2  o 19.12317 5.760357  -0.3728867E-02 11.52071 
1 1 1 -19 16 3  o 30.39482 6.862085  -1.471336      13.72417 
1 1 1 -19 16 4  o 34.00680 10.41815  ?              ?        
1 1 1 -19 16 5  o 34.22053 6.234801  3.426453       12.46960 
1 1 1 -19 16 6  o 71.82261 3.916870  -3.919678      7.833739 
1 1 1 -19 16 7  o 44.01470 5.580216  ?              ?        
1 1 1 -19 16 8  o 26.05997 6.538463  -0.2919617     13.07693 
1 1 1 -19 16 9  f 21.38182 6.089650  9.620998       12.17930 
1 1 1 -19 16 10 o 26.62178 6.434064  9.865299       12.86813 
1 1 1 -19 16 11 o 28.26858 6.578134  3.284878       13.15627 
1 1 1 -19 16 12 o 20.75937 5.978158  10.14676       11.95632 
1 1 1 -19 16 13 o 34.20605 6.296839  9.599783       12.59368 
1 1 1 -19 16 14 o 17.56529 8.101863  ?              ?        
1 1 1 -19 16 15 o 68.60514 4.557948  -15.12236      9.115895 
1 1 1 -19 16 16 o 24.10345 6.080668  14.95625       12.16134 
1 1 1 -19 16 17 o 68.14487 3.733891  ?              ?        
1 1 1 -19 16 18 o 44.53771 4.544089  18.25571       9.088179 
1 1 1 -19 16 19 o 18.98393 5.252716  10.11794       10.50543 
1 1 1 -19 16 20 o 14.88618 4.634163  5.294092       9.268326 
1 1 1 -19 16 21 o 36.46704 5.232995  -11.37080      10.46599 
1 1 1 -19 16 22 o 15.80964 4.924433  -3.871489      9.848866 
1 1 1 -19 16 23 o 18.33663 5.175210  -2.059834      10.35042 
1 1 1 -19 16 24 o 14.66780 4.644557  2.794987       9.289114 
1 1 1 -19 16 25 x ?        ?         ?              ?        
1 1 1 -19 16 26 x ?        ?         ?              ?        
1 1 1 -19 16 27 x ?        ?         ?              ?        
1 1 1 -19 17 1  f 51.88095 6.150325  1.708694       12.30065 
1 1 1 -19 17 2  o 45.67522 6.514361  -9.079884      13.02872 
1 1 1 -19 17 3  o 25.21350 6.182297  -4.204071      12.36459 
1 1 1 -19 17 4  o 48.20781 5.301151  ?              ?        
1 1 1 -19 17 5  o 69.87255 4.261098  -6.592484      8.522197 
1 1 1 -19 17 6  o 37.59552 6.034653  14.48841       12.06931 
1 1 1 -19 17 7  o 29.82526 6.480597  -2.222494      12.96119 
1 1 1 -19 17 8  o 25.96504 6.187851  10.40600       12.37570 
1 1 1 -19 17 9  o 41.89729 5.500306  1.436283       11.00061 
1 1 1 -19 17 10 o 41.16924 5.491582  -27.98067      10.98316 
1 1 1 -19 17 11 o 19.33323 5.681352  1.204323       11.36270 
1 1 1 -19 17 12 o 26.09002 6.229097  4.369026       12.45819 
1 1 1 -19 17 13 o 39.56882 6.353258  -3.821552      12.70652 
1 1 1 -19 17 14 o 21.32498 6.231813  1.263899       12.46363 
1 1 1 -19 17 15 o 37.89527 5.646495  ?              ?        
1 1 1 -19 17 16 o 97.03179 3.519220  -3.358643      7.038440 
1 1 1 -19 17 17 o 41.64127 5.160418  -8.929016      10.32084 
1 1 1 -19 17 18 o 58.70419 3.714125  0.7062302      7.428250 
1 1 1 -19 17 19 o 16.09228 4.841572  6.051862       9.683144 
1 1 1 -19 17 20 o 32.32696 4.581843  -20.77202      9.163686 
1 1 1 -19 17 21 o 11.57303 3.984345  -1.275088      7.968690 
1 1 1 -19 17 22 o 49.16856 4.051305  -22.85461      8.102611 
1 1 1 -19 17 23 o 18.88530 5.220070  -4.893641      10.44014 
1 1 1 -19 17 24 x ?        ?         ?              ?        
1 1 1 -19 17 25 x ?        ?         ?              ?        
1 1 1 -19 17 26 x ?        ?         ?              ?        
1 1 1 -19 18 1  o 38.13369 5.271738  -12.83863      10.54348 
1 1 1 -19 18 2  o 17.28139 7.130691  ?              ?        
1 1 1 -19 18 3  o 46.37684 4.828933  -7.580872      9.657866 
1 1 1 -19 18 4  o 65.95926 3.972402  -8.236198      7.944803 
1 1 1 -19 18 5  o 35.07463 5.619441  -9.296263      11.23888 
1 1 1 -19 18 6  o 37.71228 5.544165  -14.96913      11.08833 
1 1 1 -19 18 7  o 41.21138 5.245751  -4.293461      10.49150 
1 1 1 -19 18 8  o 20.93011 5.762691  -3.178200      11.52538 
1 1 1 -19 18 9  o 17.73023 5.461225  8.055729       10.92245 
1 1 1 -19 18 10 o 48.19492 5.078067  -11.85537      10.15613 
1 1 1 -19 18 11 o 56.25196 4.799564  -5.601994      9.599129 
1 1 1 -19 18 12 o 48.76572 5.544547  -14.12918      11.08909 
1 1 1 -19 18 13 o 23.68755 6.055871  4.981539       12.11174 
1 1 1 -19 18 14 o 59.79482 4.120760  ?              ?        
1 1 1 -19 18 15 f 51.25017 4.315843  -9.790600      8.631685 
1 1 1 -19 18 16 f 19.76132 5.317675  -0.8957996     10.63535 
1 1 1 -19 18 17 o 37.33311 5.410856  -13.14152      10.82171 
1 1 1 -19 18 18 o 21.19734 5.078580  -2.905905      10.15716 
1 1 1 -19 18 19 o 20.68996 7.511614  ?              ?        
1 1 1 -19 18 20 o 14.69130 4.358443  -3.344911      8.716886 
1 1 1 -19 18 21 o 20.24725 5.469839  -8.209007      10.93968 
1 1 1 -19 18 22 o 13.56931 6.183197  ?              ?        
1 1 1 -19 18 23 x ?        ?         ?              ?        
1 1 1 -19 18 24 x ?        ?         ?              ?        
1 1 1 -19 18 25 x ?        ?         ?              ?        
1 1 1 -19 19 1  o 14.56687 4.726575  4.071014       9.453150 
1 1 1 -19 19 2  o 19.52698 5.585285  6.289709       11.17057 
1 1 1 -19 19 3  o 70.79859 3.661439  19.94040       7.322878 
1 1 1 -19 19 4  o 27.19800 5.315588  -13.36871      10.63118 
1 1 1 -19 19 5  o 29.25429 5.538571  -9.706573      11.07714 
1 1 1 -19 19 6  o 42.02530 4.982582  -3.084797      9.965164 
1 1 1 -19 19 7  o 23.75259 5.337779  -12.91343      10.67556 
1 1 1 -19 19 8  o 22.67241 5.866321  -0.9713821     11.73264 
1 1 1 -19 19 9  o 59.66258 4.836347  5.581757       9.672694 
1 1 1 -19 19 10 o 22.92239 6.150742  -1.285284      12.30148 
1 1 1 -19 19 11 o 52.39779 4.310862  -10.68212      8.621723 
1 1 1 -19 19 12 o 17.26017 6.789806  ?              ?        
1 1 1 -19 19 13 o 26.32456 5.400637  -8.641624      10.80127 
1 1 1 -19 19 14 o 36.47252 5.363060  -1.806683      10.72612 
1 1 1 -19 19 15 o 26.24761 5.245895  2.244659       10.49179 
1 1 1 -19 19 16 o 14.37099 4.390131  2.620497       8.780263 
1 1 1 -19 19 17 o 34.12288 7.830500  ?              ?        
1 1 1 -19 19 18 o 18.07376 4.473342  13.21113       8.946684 
1 1 1 -19 19 19 o 22.80063 5.557038  -6.112633      11.11408 
1 1 1 -19 19 20 o 13.26649 4.313103  -3.179684      8.626206 
1 1 1 -19 19 21 x ?        ?         ?              ?        
1 1 1 -19 19 22 x ?        ?         ?              ?        
1 1 1 -19 19 23 x ?        ?         ?              ?        
1 1 1 -19 19 24 x ?        ?         ?              ?        
1 1 1 -19 20 1  o 33.13079 4.945554  -11.83880      9.891108 
1 1 1 -19 20 2  o 20.04680 5.300453  -1.842163      10.60091 
1 1 1 -19 20 3  o 27.68682 5.480103  15.01425       10.96021 
1 1 1 -19 20 4  o 55.73318 3.732780  -4.660820      7.465559 
1 1 1 -19 20 5  o 15.86578 4.838686  -1.227015      9.677372 
1 1 1 -19 20 6  o 20.03237 5.199410  -5.216944      10.39882 
1 1 1 -19 20 7  o 23.02933 8.301121  ?              ?        
1 1 1 -19 20 8  o 30.41916 5.185947  -10.93148      10.37189 
1 1 1 -19 20 9  o 17.57263 5.086839  3.086813       10.17368 
1 1 1 -19 20 10 o 22.19242 7.182500  ?              ?        
1 1 1 -19 20 11 o 16.72995 4.864567  9.589105       9.729134 
1 1 1 -19 20 12 o 15.59489 4.754042  4.268002       9.508084 
1 1 1 -19 20 13 o 54.42812 3.588721  -13.10349      7.177441 
1 1 1 -19 20 14 o 16.10555 4.709481  -0.1033401     9.418962 
1 1 1 -19 20 15 o 18.63166 4.986489  4.602007       9.972979 
1 1 1 -19 20 16 o 16.87157 4.457551  13.95541       8.915101 
1 1 1 -19 20 17 o 28.12388 5.284782  12.82012       10.56956 
1 1 1 -19 20 18 o 17.88370 4.846963  -15.41198      9.693927 
1 1 1 -19 20 19 o 26.71214 6.858117  ?              ?        
1 1 1 -19 20 20 x ?        ?         ?              ?        
1 1 1 -19 20 21 x ?        ?         ?              ?        
1 1 1 -19 20 22 x ?        ?         ?              ?        
1 1 1 -19 21 1  o 20.15105 4.658600  18.14415       9.317201 
1 1 1 -19 21 2  o 39.38649 4.301633  0.8868484      8.603266 
1 1 1 -19 21 3  o 21.07861 5.430378  -2.991693      10.86076 
1 1 1 -19 21 4  o 21.48128 7.572939  ?              ?        
1 1 1 -19 21 5  o 26.54167 5.494464  2.819975       10.98893 
1 1 1 -19 21 6  o 36.01010 4.879396  -11.56124      9.758793 
1 1 1 -19 21 7  o 29.85273 5.964691  ?              ?        
1 1 1 -19 21 8  o 12.43365 4.145638  2.787709       8.291277 
1 1 1 -19 21 9  o 24.38025 5.507303  9.991789       11.01461 
1 1 1 -19 21 10 o 11.02663 3.807042  2.239879       7.614085 
1 1 1 -19 21 11 o 23.72034 4.647461  21.23980       9.294923 
1 1 1 -19 21 12 o 26.51275 4.910018  -5.669977      9.820036 
1 1 1 -19 21 13 o 14.21222 4.325394  2.515012       8.650787 
1 1 1 -19 21 14 o 18.83987 4.896666  1.624268       9.793332 
1 1 1 -19 21 15 o 20.24497 4.666883  -6.951887      9.333765 
1 1 1 -19 21 16 o 34.44816 5.423881  -4.778008      10.84776 
1 1 1 -19 21 17 f 18.67506 6.875088  ?              ?        
1 1 1 -19 21 18 x ?        ?         ?              ?        
1 1 1 -19 21 19 x ?        ?         ?              ?        
1 1 1 -19 21 20 x ?        ?         ?              ?        
1 1 1 -19 22 1  o 18.10882 5.358202  -7.538111      10.71640 
1 1 1 -19 22 2  o 16.30611 4.375625  -4.299321      8.751250 
1 1 1 -19 22 3  o 19.98513 4.749389  -1.142876      9.498778 
1 1 1 -19 22 4  o 10.60404 4.978625  ?              ?        
1 1 1 -19 22 5  o 30.03456 5.846181  ?              ?        
1 1 1 -19 22 6  o 24.80316 4.645053  -3.900297      9.290107 
1 1 1 -19 22 7  o 18.84066 4.689505  -2.975342      9.379009 
1 1 1 -19 22 8  o 14.41789 4.279706  1.188116       8.559411 
1 1 1 -19 22 9  o 17.27757 4.529120  -3.140031      9.058241 
1 1 1 -19 22 10 o 15.55199 4.382725  -3.355131      8.765450 
1 1 1 -19 22 11 f 11.37312 3.619466  -4.707773      7.238931 
1 1 1 -19 22 12 o 19.98014 4.546799  -7.873741      9.093598 
1 1 1 -19 22 13 f 11.91254 3.791071  -3.253072      7.582143 
1 1 1 -19 22 14 o 33.02419 6.360843  ?              ?        
1 1 1 -19 22 15 o 10.49315 5.016619  ?              ?        
1 1 1 -19 22 16 x ?        ?         ?              ?        
1 1 1 -19 22 17 x ?        ?         ?              ?        
1 1 1 -19 22 18 x ?        ?         ?              ?        
1 1 1 -19 23 1  o 9.965909 4.714555  ?              ?        
1 1 1 -19 23 2  f 16.47855 4.562996  1.615317       9.125993 
1 1 1 -19 23 3  o 17.51927 4.595511  2.918459       9.191022 
1 1 1 -19 23 4  o 16.25616 4.486187  -0.8546944     8.972374 
1 1 1 -19 23 5  o 20.95740 4.519309  -6.765781      9.038617 
1 1 1 -19 23 6  o 20.73711 4.719226  -0.3776360     9.438453 
1 1 1 -19 23 7  o 15.69973 4.366862  -2.214689      8.733724 
1 1 1 -19 23 8  o 17.56369 4.427033  -4.070792      8.854066 
1 1 1 -19 23 9  o 18.50242 4.633101  2.949434       9.266202 
1 1 1 -19 23 10 o 14.84100 4.294271  -1.536376      8.588541 
1 1 1 -19 23 11 o 18.80196 5.198866  2.215639       10.39773 
1 1 1 -19 23 12 f 11.15583 5.340849  ?              ?        
1 1 1 -19 23 13 o 10.96739 5.261501  ?              ?        
1 1 1 -19 23 14 x ?        ?         ?              ?        
1 1 1 -19 23 15 x ?        ?         ?              ?        
1 1 1 -19 24 1  o 12.33990 3.945152  1.627679       7.890304 
1 1 1 -19 24 2  o 14.31129 4.140195  5.700409       8.280391 
1 1 1 -19 24 3  o 15.33785 4.354103  -0.7428999     8.708206 
1 1 1 -19 24 4  o 19.83300 4.494582  -3.072092      8.989163 
1 1 1 -19 24 5  o 14.33708 4.111493  -4.284482      8.222985 
1 1 1 -19 24 6  o 17.20007 4.260132  -9.069894      8.520265 
1 1 1 -19 24 7  o 17.19808 4.307415  13.29076       8.614829 
1 1 1 -19 24 8  o 13.14589 5.933613  ?              ?        
1 1 1 -19 24 9  o 18.97107 7.018688  ?              ?        
1 1 1 -19 24 10 o 17.44458 6.892684  ?              ?        
1 1 1 -19 24 11 x ?        ?         ?              ?        
1 1 1 -18 0  1  o 156.0235 2.639153  0.000000       0.000000 
1 1 1 -18 0  2  o 114.2759 2.292577  0.000000       0.000000 
1 1 1 -18 0  3  o 36.19521 4.321697  0.000000       0.000000 
1 1 1 -18 0  4  o 9.724950 5.840868  -0.000000      0.000000 
1 1 1 -18 0  5  o 63.53123 2.370991  -0.000000      0.000000 
1 1 1 -18 0  6  o 192.9618 2.986137  -0.000000      0.000000 
1 1 1 -18 0  7  o 148.6774 2.567473  0.000000       0.000000 
1 1 1 -18 0  8  o 60.60909 2.447578  0.000000       0.000000 
1 1 1 -18 0  9  o 76.37377 2.240792  -0.000000      0.000000 
1 1 1 -18 0  10 f 113.8337 3.475223  -0.000000      0.000000 
1 1 1 -18 0  11 o 117.0228 2.341105  0.000000       0.000000 
1 1 1 -18 0  12 o 43.07028 3.601116  -0.000000      0.000000 
1 1 1 -18 0  13 x ?        ?         ?              ?        
1 1 1 -18 0  14 o 43.45304 2.811970  -0.000000      0.000000 
1 1 1 -18 0  15 o 131.7725 2.508308  0.000000       0.000000 
1 1 1 -18 0  16 o 24.33675 4.995504  -0.000000      0.000000 
1 1 1 -18 0  17 o 15.35810 6.573971  0.000000       0.000000 
1 1 1 -18 0  18 o 10.13012 6.058752  -0.000000      0.000000 
1 1 1 -18 0  19 o 42.03060 3.346747  0.000000       0.000000 
1 1 1 -18 0  20 o 25.75688 5.626735  0.000000       0.000000 
1 1 1 -18 0  21 o 10.82173 7.222857  0.000000       0.000000 
1 1 1 -18 0  22 f 26.34125 9.586286  -0.000000      0.000000 
1 1 1 -18 0  23 o 75.14066 4.824561  0.000000       0.000000 
1 1 1 -18 0  24 o 14.89229 9.570923  0.000000       0.000000 
1 1 1 -18 0  25 o 56.26437 3.717114  -0.000000      0.000000 
1 1 1 -18 0  26 f 23.49455 8.458797  0.000000       0.000000 
1 1 1 -18 0  27 o 24.71972 7.632064  -0.000000      0.000000 
1 1 1 -18 0  28 f 48.05434 5.022685  -0.000000      0.000000 
1 1 1 -18 0  29 o 13.32277 7.628182  0.000000       0.000000 
1 1 1 -18 0  30 o 18.06517 8.064353  0.000000       0.000000 
1 1 1 -18 0  31 o 47.27096 5.860714  0.000000       0.000000 
1 1 1 -18 0  32 o 16.12092 8.192503  0.000000       0.000000 
1 1 1 -18 0  33 o 9.212196 6.466820  0.000000       0.000000 
1 1 1 -18 0  34 f 14.67250 8.771440  0.000000       0.000000 
1 1 1 -18 0  35 x ?        ?         ?              ?        
1 1 1 -18 1  1  o 91.13219 1.868135  0.1425934      3.736270 
1 1 1 -18 1  2  o 157.3615 1.861542  1.653427       3.723083 
1 1 1 -18 1  3  o 127.9607 2.120699  2.097458       4.241399 
1 1 1 -18 1  4  o 30.76664 2.522275  0.4939899      5.044549 
1 1 1 -18 1  5  o 164.7232 1.918623  -0.3846283     3.837245 
1 1 1 -18 1  6  o 117.0900 1.657138  3.477470       3.314277 
1 1 1 -18 1  7  o 107.2908 1.621844  -0.2619934E-01 3.243689 
1 1 1 -18 1  8  o 86.11597 1.569501  4.151115       3.139002 
1 1 1 -18 1  9  o 119.4741 1.678994  4.319145       3.357988 
1 1 1 -18 1  10 o 45.57563 2.647461  8.139030       5.294922 
1 1 1 -18 1  11 o 118.8617 1.698359  8.574249       3.396717 
1 1 1 -18 1  12 f 43.98221 2.504042  -3.035103      5.008085 
1 1 1 -18 1  13 o 176.8017 3.923680  ?              ?        
1 1 1 -18 1  14 o 48.79118 1.946431  -6.978348      3.892863 
1 1 1 -18 1  15 o 54.00135 1.863841  5.205723       3.727681 
1 1 1 -18 1  16 o 125.5040 1.786751  5.511642       3.573503 
1 1 1 -18 1  17 o 19.67126 3.668111  7.084417       7.336222 
1 1 1 -18 1  18 o 42.60291 2.227249  2.862862       4.454498 
1 1 1 -18 1  19 o 69.56248 1.840179  1.448120       3.680359 
1 1 1 -18 1  20 o 64.76778 2.481043  1.638573       4.962086 
1 1 1 -18 1  21 o 30.74721 5.189794  7.306494       10.37959 
1 1 1 -18 1  22 o 29.93114 5.020087  22.27954       10.04017 
1 1 1 -18 1  23 f 81.54585 3.284888  -3.635521      6.569776 
1 1 1 -18 1  24 o 34.17149 6.239269  -1.262672      12.47854 
1 1 1 -18 1  25 o 19.00677 4.550822  8.657960       9.101645 
1 1 1 -18 1  26 o 17.55170 4.672679  -2.245577      9.345359 
1 1 1 -18 1  27 o 34.84803 3.534041  -3.968582      7.068082 
1 1 1 -18 1  28 o 29.13444 4.973516  6.574245       9.947032 
1 1 1 -18 1  29 f 15.60356 4.303787  5.552116       8.607574 
1 1 1 -18 1  30 o 40.12634 3.133013  -4.492519      6.266026 
1 1 1 -18 1  31 o 40.36862 6.352493  ?              ?        
1 1 1 -18 1  32 o 23.38665 4.786616  1.872070       9.573233 
1 1 1 -18 1  33 o 51.21955 4.505599  -18.51257      9.011197 
1 1 1 -18 1  34 o 22.50013 5.554168  -13.67838      11.10834 
1 1 1 -18 1  35 x ?        ?         ?              ?        
1 1 1 -18 2  1  o 69.84698 1.675180  -2.882553      3.350361 
1 1 1 -18 2  2  o 107.7019 1.900887  -4.085175      3.801774 
1 1 1 -18 2  3  o 79.95965 2.121803  -6.165756      4.243606 
1 1 1 -18 2  4  o 85.50375 1.600513  -3.193596      3.201026 
1 1 1 -18 2  5  o 39.81423 2.185524  -1.361897      4.371048 
1 1 1 -18 2  6  o 111.6125 1.650114  -2.651001      3.300228 
1 1 1 -18 2  7  o 79.20067 1.609409  -2.085220      3.218817 
1 1 1 -18 2  8  o 111.1233 1.657560  3.479767       3.315120 
1 1 1 -18 2  9  o 27.15361 3.778470  4.626879       7.556941 
1 1 1 -18 2  10 o 161.3988 1.962141  8.417557       3.924282 
1 1 1 -18 2  11 o 201.1467 2.227225  -3.267273      4.454451 
1 1 1 -18 2  12 o 155.6015 2.353403  -7.334473      4.706805 
1 1 1 -18 2  13 o 20.69119 4.790840  5.118502       9.581680 
1 1 1 -18 2  14 o 65.03931 2.050266  ?              ?        
1 1 1 -18 2  15 o 44.70747 2.078474  -0.7110519     4.156947 
1 1 1 -18 2  16 o 53.72491 1.885566  4.650764       3.771131 
1 1 1 -18 2  17 o 104.6719 1.735941  2.993805       3.471882 
1 1 1 -18 2  18 o 50.03560 3.392593  -14.09744      6.785185 
1 1 1 -18 2  19 o 53.03055 2.057662  1.823391       4.115323 
1 1 1 -18 2  20 x ?        ?         ?              ?        
1 1 1 -18 2  21 o 52.09369 3.628349  3.159397       7.256697 
1 1 1 -18 2  22 f 29.36066 5.586856  -3.872400      11.17371 
1 1 1 -18 2  23 o 32.26309 5.940802  -1.614622      11.88160 
1 1 1 -18 2  24 o 46.30825 3.647793  -2.098595      7.295585 
1 1 1 -18 2  25 o 48.26089 2.851956  0.8309822      5.703912 
1 1 1 -18 2  26 o 25.72306 5.918112  -11.47693      11.83622 
1 1 1 -18 2  27 o 16.40767 4.394851  -5.874764      8.789701 
1 1 1 -18 2  28 o 21.79634 4.895930  -9.947685      9.791860 
1 1 1 -18 2  29 o 21.80943 4.705741  6.368275       9.411482 
1 1 1 -18 2  30 o 21.43216 4.652391  6.035089       9.304782 
1 1 1 -18 2  31 o 22.56343 5.526885  -6.243372      11.05377 
1 1 1 -18 2  32 f 17.26672 4.721365  -4.710963      9.442731 
1 1 1 -18 2  33 o 13.66346 4.434463  4.294773       8.868926 
1 1 1 -18 2  34 f 14.49247 4.757179  -0.9265518E-01 9.514359 
1 1 1 -18 2  35 x ?        ?         ?              ?        
1 1 1 -18 3  1  o 77.67243 1.659068  3.508774       3.318136 
1 1 1 -18 3  2  o 23.01618 4.359044  23.00723       8.718088 
1 1 1 -18 3  3  o 24.34113 3.451849  -3.568699      6.903698 
1 1 1 -18 3  4  o 109.5951 1.715697  -11.39650      3.431394 
1 1 1 -18 3  5  o 46.11636 2.059343  4.033001       4.118686 
1 1 1 -18 3  6  o 254.9090 2.648887  -4.147995      5.297773 
1 1 1 -18 3  7  o 71.69769 1.739666  -10.75419      3.479332 
1 1 1 -18 3  8  o 58.63666 1.906613  -2.836712      3.813226 
1 1 1 -18 3  9  o 92.61344 2.392182  8.716217       4.784363 
1 1 1 -18 3  10 o 153.6563 1.922454  -1.077271      3.844908 
1 1 1 -18 3  11 o 46.64730 2.434861  -2.816673      4.869723 
1 1 1 -18 3  12 o 149.6227 1.907189  2.187180       3.814379 
1 1 1 -18 3  13 o 124.6322 2.344348  -12.14950      4.688696 
1 1 1 -18 3  14 o 38.82468 2.320627  -0.7695503     4.641254 
1 1 1 -18 3  15 o 68.42467 1.829727  1.542610       3.659454 
1 1 1 -18 3  16 o 116.7068 1.824000  -7.437828      3.648000 
1 1 1 -18 3  17 o 78.84041 1.851411  -0.1287079     3.702823 
1 1 1 -18 3  18 o 127.3336 2.782728  2.017166       5.565457 
1 1 1 -18 3  19 f 21.63231 4.010483  -4.710720      8.020967 
1 1 1 -18 3  20 x ?        ?         ?              ?        
1 1 1 -18 3  21 o 75.24730 3.038927  6.852631       6.077853 
1 1 1 -18 3  22 o 46.21118 4.303555  0.1054764E-01  8.607111 
1 1 1 -18 3  23 o 47.87771 4.179749  0.1637192      8.359499 
1 1 1 -18 3  24 o 40.70008 4.460948  3.558914       8.921895 
1 1 1 -18 3  25 o 11.96237 5.749270  ?              ?        
1 1 1 -18 3  26 o 20.48730 5.748840  14.15114       11.49768 
1 1 1 -18 3  27 o 18.30012 4.652629  -4.656817      9.305258 
1 1 1 -18 3  28 f 15.25581 4.626142  -3.112858      9.252284 
1 1 1 -18 3  29 o 53.66433 2.753108  1.510078       5.506216 
1 1 1 -18 3  30 o 16.34200 6.409431  ?              ?        
1 1 1 -18 3  31 o 20.65847 4.759838  -9.865824      9.519675 
1 1 1 -18 3  32 o 25.22816 4.748670  5.336994       9.497340 
1 1 1 -18 3  33 o 23.29105 5.740307  -6.793732      11.48061 
1 1 1 -18 3  34 o 12.62927 6.123744  ?              ?        
1 1 1 -18 3  35 x ?        ?         ?              ?        
1 1 1 -18 4  1  o 131.2506 2.102364  -2.957657      4.204728 
1 1 1 -18 4  2  o 136.6096 2.541965  4.084137       5.083930 
1 1 1 -18 4  3  o 58.88772 2.026228  -2.164886      4.052457 
1 1 1 -18 4  4  o 78.93172 1.806069  -1.278702      3.612138 
1 1 1 -18 4  5  o 171.0876 2.081475  7.764435       4.162951 
1 1 1 -18 4  6  o 139.8571 1.896796  -7.017029      3.793592 
1 1 1 -18 4  7  f 167.0630 2.062325  3.562744       4.124649 
1 1 1 -18 4  8  o 92.01575 2.293447  -12.54025      4.586893 
1 1 1 -18 4  9  o 86.48006 2.018521  -1.983360      4.037043 
1 1 1 -18 4  10 o 140.3976 1.935080  -5.420746      3.870160 
1 1 1 -18 4  11 o 80.55556 2.638130  0.2359619      5.276259 
1 1 1 -18 4  12 o 104.5854 1.814127  -3.557922      3.628254 
1 1 1 -18 4  13 o 28.44055 3.618482  -4.066669      7.236965 
1 1 1 -18 4  14 o 28.18618 3.409562  -4.971226      6.819123 
1 1 1 -18 4  15 o 94.74277 1.837134  0.4959106      3.674268 
1 1 1 -18 4  16 o 33.78857 2.825570  6.958557       5.651140 
1 1 1 -18 4  17 o 165.2325 2.118950  4.018051       4.237901 
1 1 1 -18 4  18 o 53.02306 3.708440  -18.92006      7.416881 
1 1 1 -18 4  19 o 52.89298 2.259743  -0.3499947     4.519486 
1 1 1 -18 4  20 x ?        ?         ?              ?        
1 1 1 -18 4  21 o 40.87415 4.853791  -24.98333      9.707582 
1 1 1 -18 4  22 o 76.83397 3.407220  5.046585       6.814441 
1 1 1 -18 4  23 o 34.30598 5.501728  -7.285393      11.00346 
1 1 1 -18 4  24 o 60.69619 3.100735  -3.662415      6.201469 
1 1 1 -18 4  25 o 58.92639 2.673929  -5.771282      5.347858 
1 1 1 -18 4  26 o 44.74533 5.093919  -4.234051      10.18784 
1 1 1 -18 4  27 o 18.04476 4.635464  10.94759       9.270927 
1 1 1 -18 4  28 o 46.07992 3.245746  -9.232281      6.491492 
1 1 1 -18 4  29 o 33.80341 3.842336  -1.031109      7.684671 
1 1 1 -18 4  30 o 58.72734 2.719963  -12.60752      5.439926 
1 1 1 -18 4  31 o 27.46432 4.764601  3.797611       9.529202 
1 1 1 -18 4  32 o 42.14143 3.491279  -11.62963      6.982559 
1 1 1 -18 4  33 o 25.53336 6.255356  -8.229078      12.51071 
1 1 1 -18 4  34 x ?        ?         ?              ?        
1 1 1 -18 5  1  o 73.43562 3.034249  -12.01692      6.068499 
1 1 1 -18 5  2  o 56.92492 2.145281  -8.766804      4.290563 
1 1 1 -18 5  3  o 82.25859 1.883883  5.408119       3.767767 
1 1 1 -18 5  4  o 97.71538 1.899191  0.6387253      3.798382 
1 1 1 -18 5  5  o 115.1057 1.884064  -0.8415222     3.768128 
1 1 1 -18 5  6  o 33.59479 2.903454  5.620909       5.806907 
1 1 1 -18 5  7  o 46.75452 2.606116  -8.537746      5.212233 
1 1 1 -18 5  8  o 60.72536 2.569875  3.832932       5.139751 
1 1 1 -18 5  9  o 118.5042 1.922613  -1.988403      3.845226 
1 1 1 -18 5  10 o 26.23364 4.225964  -9.398148      8.451928 
1 1 1 -18 5  11 o 73.89433 2.037330  -0.8249893     4.074661 
1 1 1 -18 5  12 o 84.37764 1.995164  -6.512444      3.990327 
1 1 1 -18 5  13 o 95.71488 1.961838  -6.877136      3.923676 
1 1 1 -18 5  14 o 143.3146 2.039932  -2.245300      4.079864 
1 1 1 -18 5  15 o 38.93154 2.777122  -1.918022      5.554245 
1 1 1 -18 5  16 o 114.5812 1.972951  0.6183624E-01  3.945903 
1 1 1 -18 5  17 o 86.77521 2.657936  6.614044       5.315872 
1 1 1 -18 5  18 o 90.46758 2.035001  -6.761559      4.070002 
1 1 1 -18 5  19 o 47.98460 3.496811  ?              ?        
1 1 1 -18 5  20 o 72.10551 3.205001  1.792923       6.410003 
1 1 1 -18 5  21 o 66.44439 3.297381  -11.54682      6.594761 
1 1 1 -18 5  22 o 19.95368 5.675582  3.447598       11.35116 
1 1 1 -18 5  23 o 118.5294 3.238539  0.8202591      6.477077 
1 1 1 -18 5  24 o 88.42824 2.630124  -9.126785      5.260248 
1 1 1 -18 5  25 o 60.74748 2.708274  12.98034       5.416549 
1 1 1 -18 5  26 o 50.34837 3.160201  -9.033695      6.320401 
1 1 1 -18 5  27 f 41.66942 4.981911  -16.97038      9.963822 
1 1 1 -18 5  28 o 38.27596 3.942701  -11.83759      7.885402 
1 1 1 -18 5  29 o 37.70676 3.512684  3.083183       7.025368 
1 1 1 -18 5  30 f 12.46787 4.033319  -1.884423      8.066639 
1 1 1 -18 5  31 o 27.35559 4.755538  -4.939739      9.511075 
1 1 1 -18 5  32 o 14.57654 4.579802  -1.440883      9.159604 
1 1 1 -18 5  33 o 29.40722 6.004279  -6.668161      12.00856 
1 1 1 -18 5  34 x ?        ?         ?              ?        
1 1 1 -18 6  1  o 116.6440 1.978815  3.201561       3.957630 
1 1 1 -18 6  2  o 61.76970 2.190615  -3.009518      4.381229 
1 1 1 -18 6  3  o 62.92268 2.212044  0.1474915      4.424089 
1 1 1 -18 6  4  o 45.45953 2.572340  0.8677177      5.144680 
1 1 1 -18 6  5  o 64.51305 2.230513  0.7792892      4.461026 
1 1 1 -18 6  6  o 155.1700 2.136550  3.774109       4.273099 
1 1 1 -18 6  7  o 71.21767 2.574255  0.1293030      5.148509 
1 1 1 -18 6  8  o 111.3303 2.269023  3.180840       4.538045 
1 1 1 -18 6  9  o 44.91863 3.072373  10.15147       6.144747 
1 1 1 -18 6  10 o 152.0661 2.819703  -1.573456      5.639407 
1 1 1 -18 6  11 o 129.0053 2.064774  -0.1765900     4.129549 
1 1 1 -18 6  12 o 31.73815 3.581217  1.242748       7.162435 
1 1 1 -18 6  13 o 100.9338 2.036364  6.593300       4.072729 
1 1 1 -18 6  14 o 63.38300 2.281053  4.849976       4.562105 
1 1 1 -18 6  15 o 128.4826 2.086517  6.776817       4.173034 
1 1 1 -18 6  16 o 56.24142 2.391838  -1.415474      4.783676 
1 1 1 -18 6  17 o 113.7263 2.865705  6.803978       5.731410 
1 1 1 -18 6  18 o 41.38042 2.969680  -5.869526      5.939359 
1 1 1 -18 6  19 x ?        ?         ?              ?        
1 1 1 -18 6  20 o 59.31292 3.399463  12.39056       6.798926 
1 1 1 -18 6  21 o 80.16878 3.336309  -4.942024      6.672619 
1 1 1 -18 6  22 o 63.53858 4.133771  -12.07092      8.267542 
1 1 1 -18 6  23 o 35.27366 5.527375  -6.134846      11.05475 
1 1 1 -18 6  24 o 53.41086 3.317779  0.1731110      6.635558 
1 1 1 -18 6  25 f 33.81387 5.965600  18.50004       11.93120 
1 1 1 -18 6  26 f 81.23683 2.436590  -16.71878      4.873180 
1 1 1 -18 6  27 f 42.45711 4.362440  -19.95941      8.724880 
1 1 1 -18 6  28 o 30.24283 7.560856  ?              ?        
1 1 1 -18 6  29 o 12.94289 4.194215  0.9363899      8.388431 
1 1 1 -18 6  30 o 37.85413 3.657547  -6.132484      7.315094 
1 1 1 -18 6  31 o 36.89461 4.126581  -29.84785      8.253161 
1 1 1 -18 6  32 o 14.97036 4.745764  4.880825       9.491529 
1 1 1 -18 6  33 o 29.66364 6.272050  -11.70307      12.54410 
1 1 1 -18 6  34 x ?        ?         ?              ?        
1 1 1 -18 7  1  o 23.73487 4.677937  2.434353       9.355873 
1 1 1 -18 7  2  o 79.86459 2.549384  -5.585793      5.098768 
1 1 1 -18 7  3  o 126.4708 2.122031  -6.369713      4.244063 
1 1 1 -18 7  4  o 83.77272 2.148637  5.823326       4.297274 
1 1 1 -18 7  5  o 130.7621 2.138399  3.273682       4.276799 
1 1 1 -18 7  6  o 14.50960 4.445283  4.989168       8.890567 
1 1 1 -18 7  7  o 56.30545 2.736503  2.258472       5.473006 
1 1 1 -18 7  8  o 19.29827 4.813173  -5.293842      9.626346 
1 1 1 -18 7  9  o 149.4964 2.999512  -3.528641      5.999024 
1 1 1 -18 7  10 o 47.37460 2.661221  5.006908       5.322443 
1 1 1 -18 7  11 o 43.10020 2.897397  -9.281662      5.794793 
1 1 1 -18 7  12 o 77.64622 2.221331  4.236076       4.442662 
1 1 1 -18 7  13 f 19.80240 4.409261  10.90801       8.818521 
1 1 1 -18 7  14 o 85.22141 3.146521  4.047798       6.293043 
1 1 1 -18 7  15 o 42.40699 2.873604  2.275322       5.747207 
1 1 1 -18 7  16 o 57.21986 3.309355  2.419689       6.618710 
1 1 1 -18 7  17 o 45.02843 2.901581  2.666134       5.803162 
1 1 1 -18 7  18 o 97.32674 3.543215  ?              ?        
1 1 1 -18 7  19 o 18.48436 5.405078  9.556220       10.81016 
1 1 1 -18 7  20 o 61.58190 3.711504  -3.045887      7.423007 
1 1 1 -18 7  21 o 36.19910 5.341753  -17.72610      10.68351 
1 1 1 -18 7  22 o 40.67912 5.319336  0.4493370      10.63867 
1 1 1 -18 7  23 o 42.74744 5.473891  -1.312153      10.94778 
1 1 1 -18 7  24 o 71.81482 3.128019  -14.39264      6.256037 
1 1 1 -18 7  25 o 90.71228 2.802196  -12.69344      5.604393 
1 1 1 -18 7  26 o 68.17683 3.638959  -9.793388      7.277918 
1 1 1 -18 7  27 o 51.92787 3.168709  -0.1277733     6.337417 
1 1 1 -18 7  28 o 13.74014 4.405024  2.195430       8.810048 
1 1 1 -18 7  29 o 33.12406 4.139686  -30.81218      8.279372 
1 1 1 -18 7  30 o 15.59692 4.626675  -4.313452      9.253350 
1 1 1 -18 7  31 o 26.99530 5.374978  3.411366       10.74996 
1 1 1 -18 7  32 o 17.46461 5.390748  -7.264926      10.78150 
1 1 1 -18 7  33 x ?        ?         ?              ?        
1 1 1 -18 7  34 x ?        ?         ?              ?        
1 1 1 -18 8  1  o 20.16489 7.868393  ?              ?        
1 1 1 -18 8  2  o 25.18190 4.481076  -8.905602      8.962152 
1 1 1 -18 8  3  o 103.1757 2.555352  -8.574196      5.110705 
1 1 1 -18 8  4  o 53.41848 3.136828  -0.5543823     6.273655 
1 1 1 -18 8  5  o 86.66518 2.688920  -2.171356      5.377840 
1 1 1 -18 8  6  o 25.55223 4.750690  7.654516       9.501379 
1 1 1 -18 8  7  o 104.9885 2.605345  3.547112       5.210689 
1 1 1 -18 8  8  o 115.8496 3.006788  -3.585503      6.013575 
1 1 1 -18 8  9  o 100.1304 2.210026  -1.224037      4.420052 
1 1 1 -18 8  10 o 212.8419 2.631601  2.480560       5.263202 
1 1 1 -18 8  11 o 128.9049 2.252673  -2.234589      4.505345 
1 1 1 -18 8  12 o 35.23914 3.717504  -4.060848      7.435009 
1 1 1 -18 8  13 o 21.16914 4.642078  4.873577       9.284156 
1 1 1 -18 8  14 f 46.55551 5.059799  -16.80229      10.11960 
1 1 1 -18 8  15 o 135.3809 2.866250  -1.856262      5.732500 
1 1 1 -18 8  16 o 104.2499 2.277918  -1.713043      4.555836 
1 1 1 -18 8  17 o 48.25857 3.573935  -4.401871      7.147869 
1 1 1 -18 8  18 o 97.91078 3.077297  -0.8108902     6.154595 
1 1 1 -18 8  19 o 75.19769 3.502824  5.450760       7.005647 
1 1 1 -18 8  20 o 59.34113 3.986488  0.8528252      7.972975 
1 1 1 -18 8  21 o 25.80972 5.896410  3.238142       11.79282 
1 1 1 -18 8  22 o 67.90958 3.755950  3.501907       7.511899 
1 1 1 -18 8  23 o 21.50157 5.929849  8.297060       11.85970 
1 1 1 -18 8  24 o 79.25343 3.742478  -9.051109      7.484955 
1 1 1 -18 8  25 o 17.16924 5.023885  -0.7474480     10.04777 
1 1 1 -18 8  26 o 56.57084 3.534546  -9.755199      7.069092 
1 1 1 -18 8  27 o 16.01699 4.769182  3.491063       9.538364 
1 1 1 -18 8  28 o 39.89341 3.599985  -6.033119      7.199970 
1 1 1 -18 8  29 o 17.65004 4.740653  -1.559187      9.481306 
1 1 1 -18 8  30 o 15.90633 4.356746  -12.10796      8.713492 
1 1 1 -18 8  31 o 13.64319 4.608227  -6.214282      9.216454 
1 1 1 -18 8  32 o 13.98795 4.688985  -2.137060      9.377970 
1 1 1 -18 8  33 x ?        ?         ?              ?        
1 1 1 -18 9  1  o 76.46413 2.785820  -3.341080      5.571639 
1 1 1 -18 9  2  o 58.18686 2.975360  -2.051476      5.950720 
1 1 1 -18 9  3  o 118.8472 2.642406  -2.789848      5.284812 
1 1 1 -18 9  4  o 72.17223 2.861574  11.25546       5.723149 
1 1 1 -18 9  5  o 102.4891 3.015990  -0.1273651     6.031980 
1 1 1 -18 9  6  o 17.92064 4.798368  -8.856832      9.596736 
1 1 1 -18 9  7  o 73.78352 3.641827  -4.298317      7.283654 
1 1 1 -18 9  8  o 109.4882 2.294283  -3.789055      4.588566 
1 1 1 -18 9  9  o 55.67171 2.800130  -4.840698      5.600259 
1 1 1 -18 9  10 o 138.8751 2.334394  0.3929596      4.668789 
1 1 1 -18 9  11 o 130.3347 2.322174  -0.7231140     4.644349 
1 1 1 -18 9  12 o 70.57120 2.484156  -3.900024      4.968313 
1 1 1 -18 9  13 o 21.41444 4.727019  1.955069       9.454039 
1 1 1 -18 9  14 o 93.89806 3.468490  ?              ?        
1 1 1 -18 9  15 o 143.3100 2.746813  -7.252563      5.493627 
1 1 1 -18 9  16 o 57.79371 2.770488  8.175289       5.540977 
1 1 1 -18 9  17 o 58.78009 3.791459  15.78211       7.582917 
1 1 1 -18 9  18 o 37.19666 4.926545  -4.327206      9.853090 
1 1 1 -18 9  19 o 68.43745 3.721132  -8.329124      7.442264 
1 1 1 -18 9  20 o 38.20959 5.640846  -9.980629      11.28169 
1 1 1 -18 9  21 o 30.89497 6.040781  0.2229404      12.08156 
1 1 1 -18 9  22 o 58.60475 4.103835  2.459793       8.207669 
1 1 1 -18 9  23 o 100.2422 3.539740  -1.036949      7.079479 
1 1 1 -18 9  24 o 54.55029 3.523770  1.780075       7.047541 
1 1 1 -18 9  25 o 37.08776 10.29519  ?              ?        
1 1 1 -18 9  26 o 30.55977 4.736417  -6.169266      9.472835 
1 1 1 -18 9  27 o 39.07222 4.076136  -14.68001      8.152271 
1 1 1 -18 9  28 o 24.63666 4.320471  -16.59651      8.640943 
1 1 1 -18 9  29 o 24.35202 7.210232  ?              ?        
1 1 1 -18 9  30 o 21.82670 7.069036  ?              ?        
1 1 1 -18 9  31 o 16.57200 5.331355  -10.61755      10.66271 
1 1 1 -18 9  32 x ?        ?         ?              ?        
1 1 1 -18 9  33 x ?        ?         ?              ?        
1 1 1 -18 10 1  o 81.48296 2.855654  -14.16684      5.711308 
1 1 1 -18 10 2  o 33.93685 4.502699  -4.853563      9.005399 
1 1 1 -18 10 3  o 90.35168 2.778459  5.931152       5.556918 
1 1 1 -18 10 4  o 88.67358 4.900206  ?              ?        
1 1 1 -18 10 5  o 112.9064 2.861378  9.830414       5.722755 
1 1 1 -18 10 6  o 55.06477 3.291567  ?              ?        
1 1 1 -18 10 7  o 56.04859 3.470140  -7.810253      6.940280 
1 1 1 -18 10 8  o 26.29324 4.956923  22.04993       9.913845 
1 1 1 -18 10 9  o 49.26233 3.094148  0.3870392      6.188295 
1 1 1 -18 10 10 o 71.09313 2.599541  0.8438416      5.199082 
1 1 1 -18 10 11 o 21.52950 4.456697  -9.693865      8.913393 
1 1 1 -18 10 12 o 105.2704 2.394646  0.5322647      4.789293 
1 1 1 -18 10 13 o 99.83719 2.964160  0.2228012      5.928321 
1 1 1 -18 10 14 o 66.24544 3.178316  -1.704796      6.356632 
1 1 1 -18 10 15 o 81.16560 2.571964  2.241257       5.143929 
1 1 1 -18 10 16 o 45.29797 5.471198  -3.946217      10.94240 
1 1 1 -18 10 17 o 119.3761 2.533111  -0.4740143     5.066221 
1 1 1 -18 10 18 o 97.11996 3.128427  4.836014       6.256854 
1 1 1 -18 10 19 o 42.51563 5.181331  7.002262       10.36266 
1 1 1 -18 10 20 o 127.6239 3.421262  -1.293816      6.842524 
1 1 1 -18 10 21 o 80.20709 3.717599  -1.878685      7.435198 
1 1 1 -18 10 22 o 21.92719 6.123897  6.029739       12.24779 
1 1 1 -18 10 23 o 23.71770 5.255097  -11.77419      10.51019 
1 1 1 -18 10 24 o 18.82780 5.802267  5.246046       11.60453 
1 1 1 -18 10 25 o 24.03067 5.519701  -4.707155      11.03940 
1 1 1 -18 10 26 o 40.76423 4.314395  -12.27332      8.628791 
1 1 1 -18 10 27 o 37.08957 4.176340  -9.802971      8.352680 
1 1 1 -18 10 28 o 18.45504 4.685249  -6.074252      9.370499 
1 1 1 -18 10 29 o 12.47946 4.047947  -2.963654      8.095895 
1 1 1 -18 10 30 o 42.21228 6.702478  ?              ?        
1 1 1 -18 10 31 o 45.53287 8.995769  ?              ?        
1 1 1 -18 10 32 x ?        ?         ?              ?        
1 1 1 -18 11 1  o 59.65683 5.568013  ?              ?        
1 1 1 -18 11 2  o 29.76335 8.836840  ?              ?        
1 1 1 -18 11 3  o 66.32272 3.515279  -1.737717      7.030559 
1 1 1 -18 11 4  o 84.09589 2.939896  -2.957901      5.879791 
1 1 1 -18 11 5  o 71.77115 3.204079  ?              ?        
1 1 1 -18 11 6  o 101.5277 2.895837  0.5255508      5.791674 
1 1 1 -18 11 7  o 46.45967 3.842415  11.65900       7.684830 
1 1 1 -18 11 8  o 94.73183 2.966124  -3.261734      5.932249 
1 1 1 -18 11 9  o 18.78589 8.005129  ?              ?        
1 1 1 -18 11 10 o 55.35552 3.600410  -0.2018471     7.200821 
1 1 1 -18 11 11 o 44.91537 3.509495  0.1705818      7.018991 
1 1 1 -18 11 12 o 62.42391 3.712370  -15.85475      7.424741 
1 1 1 -18 11 13 o 101.3777 2.918187  8.376244       5.836374 
1 1 1 -18 11 14 o 29.36362 5.718938  -7.222868      11.43788 
1 1 1 -18 11 15 o 46.07156 5.667104  4.660912       11.33421 
1 1 1 -18 11 16 o 41.17412 4.535871  -13.57735      9.071741 
1 1 1 -18 11 17 o 50.02913 3.532621  0.7941818E-01  7.065243 
1 1 1 -18 11 18 o 126.2245 3.264071  -7.415703      6.528141 
1 1 1 -18 11 19 o 105.3064 3.575819  -0.4400101     7.151639 
1 1 1 -18 11 20 o 22.28970 5.054649  -15.25035      10.10930 
1 1 1 -18 11 21 o 45.50806 5.468328  3.041634       10.93666 
1 1 1 -18 11 22 o 35.14681 5.784269  -3.463940      11.56854 
1 1 1 -18 11 23 o 36.45014 5.889882  -1.773739      11.77976 
1 1 1 -18 11 24 o 18.27354 5.286532  0.2325363      10.57306 
1 1 1 -18 11 25 o 36.96166 4.484783  -7.666626      8.969565 
1 1 1 -18 11 26 o 47.35691 3.155217  -7.531326      6.310433 
1 1 1 -18 11 27 o 22.82705 4.901545  -3.384295      9.803090 
1 1 1 -18 11 28 o 48.56477 4.754651  ?              ?        
1 1 1 -18 11 29 o 56.69096 3.888824  -35.04473      7.777647 
1 1 1 -18 11 30 o 9.673926 4.781255  ?              ?        
1 1 1 -18 11 31 x ?        ?         ?              ?        
1 1 1 -18 11 32 x ?        ?         ?              ?        
1 1 1 -18 12 1  o 50.35215 3.844512  5.721710       7.689024 
1 1 1 -18 12 2  o 23.68562 5.372045  -5.189661      10.74409 
1 1 1 -18 12 3  o 13.42402 5.873330  ?              ?        
1 1 1 -18 12 4  o 17.96265 5.325286  2.503109       10.65057 
1 1 1 -18 12 5  o 140.7144 3.065569  4.266724       6.131138 
1 1 1 -18 12 6  o 63.30821 3.586681  -15.73227      7.173363 
1 1 1 -18 12 7  o 99.50911 3.069345  -3.647728      6.138689 
1 1 1 -18 12 8  o 38.01366 5.211350  -18.48221      10.42270 
1 1 1 -18 12 9  o 27.64349 5.482693  3.504732       10.96539 
1 1 1 -18 12 10 o 53.34164 3.955691  -6.769222      7.911382 
1 1 1 -18 12 11 o 45.15914 4.098049  9.573856       8.196097 
1 1 1 -18 12 12 o 80.88645 3.349164  -2.673721      6.698328 
1 1 1 -18 12 13 o 69.07158 3.821874  -6.541115      7.643747 
1 1 1 -18 12 14 o 62.27969 5.661027  -24.38298      11.32205 
1 1 1 -18 12 15 o 145.5197 2.670868  -7.703430      5.341735 
1 1 1 -18 12 16 o 47.83239 3.764659  0.5045547      7.529317 
1 1 1 -18 12 17 o 20.32280 5.732722  1.166090       11.46544 
1 1 1 -18 12 18 o 24.83036 5.172001  -14.39537      10.34400 
1 1 1 -18 12 19 f 84.14363 3.780441  2.039818       7.560882 
1 1 1 -18 12 20 o 56.74007 4.458940  9.686829       8.917879 
1 1 1 -18 12 21 o 42.75948 5.209239  2.596817       10.41848 
1 1 1 -18 12 22 o 52.72297 4.416311  -9.607025      8.832623 
1 1 1 -18 12 23 o 53.64268 5.333467  -28.46144      10.66693 
1 1 1 -18 12 24 o 22.05440 5.332738  7.428745       10.66548 
1 1 1 -18 12 25 o 17.02355 4.762868  -6.485417      9.525737 
1 1 1 -18 12 26 o 22.52200 4.874635  -3.402519      9.749269 
1 1 1 -18 12 27 o 45.47542 3.242662  -13.35167      6.485323 
1 1 1 -18 12 28 o 40.32523 4.060303  -23.17234      8.120605 
1 1 1 -18 12 29 o 19.98795 5.503044  1.935202       11.00609 
1 1 1 -18 12 30 x ?        ?         ?              ?        
1 1 1 -18 12 31 x ?        ?         ?              ?        
1 1 1 -18 13 1  o 47.35160 4.699328  ?              ?        
1 1 1 -18 13 2  o 37.05578 5.273879  6.918633       10.54776 
1 1 1 -18 13 3  o 34.86769 5.097593  5.060127       10.19519 
1 1 1 -18 13 4  o 107.2963 3.166658  6.771362       6.333315 
1 1 1 -18 13 5  o 72.71793 3.369059  5.239258       6.738117 
1 1 1 -18 13 6  o 64.45083 3.635913  -1.774586      7.271826 
1 1 1 -18 13 7  o 54.91829 3.956804  10.69221       7.913607 
1 1 1 -18 13 8  o 47.27219 4.344394  0.7391396      8.688787 
1 1 1 -18 13 9  o 20.17688 5.203059  -6.344009      10.40612 
1 1 1 -18 13 10 o 33.95410 6.265579  16.07884       12.53116 
1 1 1 -18 13 11 o 89.33490 3.783127  -6.476807      7.566254 
1 1 1 -18 13 12 o 28.86925 5.979832  2.767635       11.95966 
1 1 1 -18 13 13 o 113.8427 3.256325  4.399750       6.512649 
1 1 1 -18 13 14 o 58.15054 3.962891  -1.098831      7.925782 
1 1 1 -18 13 15 o 80.63194 3.477218  1.476425       6.954435 
1 1 1 -18 13 16 o 34.55314 5.276379  -23.44868      10.55276 
1 1 1 -18 13 17 o 18.02337 5.457187  2.825483       10.91437 
1 1 1 -18 13 18 o 89.39571 3.671375  0.5286407      7.342749 
1 1 1 -18 13 19 o 100.6617 3.539615  -12.16575      7.079230 
1 1 1 -18 13 20 o 40.92242 5.933186  -15.66658      11.86637 
1 1 1 -18 13 21 o 27.76688 6.093920  4.770330       12.18784 
1 1 1 -18 13 22 o 36.79103 5.330595  20.93339       10.66119 
1 1 1 -18 13 23 o 14.85551 4.699684  -1.829315      9.399368 
1 1 1 -18 13 24 o 46.53901 4.189074  -25.04946      8.378147 
1 1 1 -18 13 25 o 48.05597 4.008084  -24.30357      8.016169 
1 1 1 -18 13 26 o 19.92772 4.573164  -10.46460      9.146328 
1 1 1 -18 13 27 o 29.96149 4.442646  -25.05462      8.885292 
1 1 1 -18 13 28 o 25.42099 5.598836  2.861910       11.19767 
1 1 1 -18 13 29 x ?        ?         ?              ?        
1 1 1 -18 13 30 x ?        ?         ?              ?        
1 1 1 -18 14 1  o 99.57717 3.180408  -3.046478      6.360816 
1 1 1 -18 14 2  o 41.43047 5.432838  -20.02097      10.86568 
1 1 1 -18 14 3  o 64.54459 3.745645  -6.438591      7.491290 
1 1 1 -18 14 4  o 50.92965 4.009235  4.872108       8.018470 
1 1 1 -18 14 5  o 108.2092 3.239492  -8.106972      6.478983 
1 1 1 -18 14 6  o 163.1209 3.269302  -7.807465      6.538605 
1 1 1 -18 14 7  o 45.09233 4.443153  7.840919       8.886307 
1 1 1 -18 14 8  o 56.08114 4.470427  -3.278988      8.940854 
1 1 1 -18 14 9  o 62.37502 4.912626  4.489433       9.825252 
1 1 1 -18 14 10 o 22.22595 6.245780  9.488834       12.49156 
1 1 1 -18 14 11 o 42.87336 5.261679  ?              ?        
1 1 1 -18 14 12 o 25.70023 6.238937  6.598459       12.47787 
1 1 1 -18 14 13 o 46.75650 5.358272  -3.323166      10.71654 
1 1 1 -18 14 14 o 84.41435 3.760928  -4.558464      7.521856 
1 1 1 -18 14 15 o 86.68008 4.246342  -23.99844      8.492683 
1 1 1 -18 14 16 o 38.25589 6.000740  -15.27429      12.00148 
1 1 1 -18 14 17 o 30.31150 6.523944  4.220684       13.04789 
1 1 1 -18 14 18 o 65.94492 4.060026  -3.266991      8.120051 
1 1 1 -18 14 19 o 42.79932 5.131257  5.775700       10.26251 
1 1 1 -18 14 20 o 49.62163 9.545218  ?              ?        
1 1 1 -18 14 21 o 67.11281 4.198848  -13.09512      8.397696 
1 1 1 -18 14 22 o 33.36670 5.633424  4.482206       11.26685 
1 1 1 -18 14 23 o 35.97160 5.513642  -12.08156      11.02728 
1 1 1 -18 14 24 o 34.51149 4.574402  -16.58244      9.148805 
1 1 1 -18 14 25 o 21.98545 5.291237  -5.937885      10.58247 
1 1 1 -18 14 26 o 22.86203 5.339903  0.4471169      10.67981 
1 1 1 -18 14 27 o 35.25368 4.793335  -19.52362      9.586670 
1 1 1 -18 14 28 x ?        ?         ?              ?        
1 1 1 -18 14 29 x ?        ?         ?              ?        
1 1 1 -18 14 30 x ?        ?         ?              ?        
1 1 1 -18 15 1  o 96.67692 3.383948  0.2568817      6.767896 
1 1 1 -18 15 2  o 37.56342 5.638821  0.8811989      11.27764 
1 1 1 -18 15 3  o 47.86632 4.581377  4.106293       9.162754 
1 1 1 -18 15 4  o 89.12903 3.505235  -13.89943      7.010469 
1 1 1 -18 15 5  o 72.10400 3.644695  4.929695       7.289390 
1 1 1 -18 15 6  o 41.62192 5.597963  -12.41997      11.19593 
1 1 1 -18 15 7  o 95.12057 5.906031  ?              ?        
1 1 1 -18 15 8  o 25.63669 6.580265  10.06161       13.16053 
1 1 1 -18 15 9  o 41.37250 5.451237  ?              ?        
1 1 1 -18 15 10 o 60.87776 4.354415  11.57634       8.708830 
1 1 1 -18 15 11 o 29.45892 5.209613  -19.22363      10.41923 
1 1 1 -18 15 12 o 79.79736 4.322081  -7.175621      8.644161 
1 1 1 -18 15 13 o 45.90461 5.254187  -7.350941      10.50837 
1 1 1 -18 15 14 o 48.67083 5.783245  -36.38172      11.56649 
1 1 1 -18 15 15 o 50.73730 7.008851  ?              ?        
1 1 1 -18 15 16 o 22.84825 6.129894  -1.778938      12.25979 
1 1 1 -18 15 17 o 87.20635 4.043782  -13.77101      8.087564 
1 1 1 -18 15 18 o 36.35738 5.628715  -21.05950      11.25743 
1 1 1 -18 15 19 o 52.50293 6.245373  ?              ?        
1 1 1 -18 15 20 o 59.16571 4.490155  -11.38438      8.980310 
1 1 1 -18 15 21 o 55.22883 4.258716  -3.452240      8.517431 
1 1 1 -18 15 22 o 24.38476 5.713678  -3.051674      11.42736 
1 1 1 -18 15 23 o 21.18119 5.205555  -7.756666      10.41111 
1 1 1 -18 15 24 o 21.41995 4.556444  -18.89045      9.112887 
1 1 1 -18 15 25 o 13.33323 4.307117  1.528121       8.614233 
1 1 1 -18 15 26 o 27.46081 5.175782  -19.38050      10.35156 
1 1 1 -18 15 27 x ?        ?         ?              ?        
1 1 1 -18 15 28 x ?        ?         ?              ?        
1 1 1 -18 15 29 x ?        ?         ?              ?        
1 1 1 -18 16 1  o 51.94715 4.495964  8.269131       8.991927 
1 1 1 -18 16 2  o 85.22676 3.835842  -12.23266      7.671684 
1 1 1 -18 16 3  o 16.33842 5.364542  4.459437       10.72908 
1 1 1 -18 16 4  o 71.80690 3.982059  -7.642128      7.964118 
1 1 1 -18 16 5  o 84.00981 5.925690  ?              ?        
1 1 1 -18 16 6  o 40.53956 5.494435  8.816208       10.98887 
1 1 1 -18 16 7  o 29.27583 6.430468  -4.933495      12.86094 
1 1 1 -18 16 8  o 60.94394 4.759928  -6.787132      9.519855 
1 1 1 -18 16 9  o 80.97198 3.782932  -3.625648      7.565864 
1 1 1 -18 16 10 o 44.79436 5.426912  -17.60942      10.85382 
1 1 1 -18 16 11 o 39.23337 5.942061  -2.231293      11.88412 
1 1 1 -18 16 12 o 25.75997 6.749008  -6.111555      13.49802 
1 1 1 -18 16 13 o 55.76175 4.502656  19.08148       9.005311 
1 1 1 -18 16 14 o 63.04505 4.688141  -12.12452      9.376283 
1 1 1 -18 16 15 o 21.78546 7.569832  ?              ?        
1 1 1 -18 16 16 f 65.16492 4.623729  1.917267       9.247458 
1 1 1 -18 16 17 o 94.97318 3.939312  -10.92802      7.878624 
1 1 1 -18 16 18 o 47.41813 4.393944  ?              ?        
1 1 1 -18 16 19 o 19.15589 5.159805  -5.991489      10.31961 
1 1 1 -18 16 20 o 23.46212 5.651020  15.18605       11.30204 
1 1 1 -18 16 21 o 37.55543 5.492116  -17.35972      10.98423 
1 1 1 -18 16 22 o 30.85872 4.958609  -22.50701      9.917218 
1 1 1 -18 16 23 o 21.27796 5.632608  3.311668       11.26522 
1 1 1 -18 16 24 o 31.35770 5.643250  2.761839       11.28650 
1 1 1 -18 16 25 o 16.49657 5.019852  0.9847698      10.03970 
1 1 1 -18 16 26 x ?        ?         ?              ?        
1 1 1 -18 16 27 x ?        ?         ?              ?        
1 1 1 -18 16 28 x ?        ?         ?              ?        
1 1 1 -18 17 1  o 117.7967 3.858054  7.732651       7.716109 
1 1 1 -18 17 2  o 69.31454 6.777250  ?              ?        
1 1 1 -18 17 3  o 21.63503 5.866726  -7.335968      11.73345 
1 1 1 -18 17 4  o 68.19838 4.112916  -2.500679      8.225833 
1 1 1 -18 17 5  o 118.3897 4.036281  ?              ?        
1 1 1 -18 17 6  o 83.76387 3.988177  -4.612007      7.976355 
1 1 1 -18 17 7  o 46.26228 5.228861  17.94781       10.45772 
1 1 1 -18 17 8  o 53.35574 4.588884  17.06458       9.177769 
1 1 1 -18 17 9  o 43.49921 5.460660  4.503983       10.92132 
1 1 1 -18 17 10 o 71.45305 4.092817  -2.168106      8.185635 
1 1 1 -18 17 11 o 76.99973 4.024238  -10.50697      8.048476 
1 1 1 -18 17 12 o 28.70604 6.862930  -2.530626      13.72586 
1 1 1 -18 17 13 f 20.23348 5.277890  -10.11994      10.55578 
1 1 1 -18 17 14 f 61.03001 5.264751  -11.59560      10.52950 
1 1 1 -18 17 15 o 42.23906 5.241907  8.002872       10.48381 
1 1 1 -18 17 16 o 21.01952 8.434552  ?              ?        
1 1 1 -18 17 17 o 44.17009 5.052897  13.42486       10.10579 
1 1 1 -18 17 18 o 23.89916 5.600824  -1.841978      11.20165 
1 1 1 -18 17 19 o 36.73946 5.058745  -0.8968735E-01 10.11749 
1 1 1 -18 17 20 o 21.54181 5.239675  -16.55397      10.47935 
1 1 1 -18 17 21 o 61.39066 4.007916  -15.31059      8.015832 
1 1 1 -18 17 22 o 23.63187 5.894284  3.435680       11.78857 
1 1 1 -18 17 23 o 25.61069 5.420906  -7.471146      10.84181 
1 1 1 -18 17 24 o 18.35711 5.147207  1.907196       10.29441 
1 1 1 -18 17 25 x ?        ?         ?              ?        
1 1 1 -18 17 26 x ?        ?         ?              ?        
1 1 1 -18 17 27 x ?        ?         ?              ?        
1 1 1 -18 18 1  o 41.84920 5.713406  -12.78412      11.42681 
1 1 1 -18 18 2  f 70.38917 4.054020  7.031693       8.108040 
1 1 1 -18 18 3  o 41.24721 5.913038  ?              ?        
1 1 1 -18 18 4  o 55.32256 4.789745  -8.623680      9.579490 
1 1 1 -18 18 5  o 25.23971 6.493576  5.710526       12.98715 
1 1 1 -18 18 6  o 18.59329 5.747962  5.279655       11.49592 
1 1 1 -18 18 7  o 51.65437 4.820736  0.6580162      9.641472 
1 1 1 -18 18 8  o 29.65816 6.240042  1.827806       12.48008 
1 1 1 -18 18 9  o 17.68801 5.562332  3.927492       11.12466 
1 1 1 -18 18 10 o 25.33136 6.137431  13.32648       12.27486 
1 1 1 -18 18 11 o 50.54149 4.813008  -1.020046      9.626017 
1 1 1 -18 18 12 o 22.20915 9.175491  ?              ?        
1 1 1 -18 18 13 o 63.52009 4.308939  12.59734       8.617878 
1 1 1 -18 18 14 o 24.44580 6.257747  -10.66151      12.51549 
1 1 1 -18 18 15 o 53.39756 4.455866  ?              ?        
1 1 1 -18 18 16 o 46.85017 5.115080  -9.682823      10.23016 
1 1 1 -18 18 17 o 18.65465 5.252619  -1.439459      10.50524 
1 1 1 -18 18 18 o 28.10544 5.530700  17.00884       11.06140 
1 1 1 -18 18 19 o 47.67439 3.845956  -12.88906      7.691912 
1 1 1 -18 18 20 f 26.69029 5.432598  10.82991       10.86520 
1 1 1 -18 18 21 o 16.23817 4.685237  8.100953       9.370474 
1 1 1 -18 18 22 o 23.79761 5.562158  -9.037027      11.12432 
1 1 1 -18 18 23 o 19.69315 5.316746  -3.565702      10.63349 
1 1 1 -18 18 24 x ?        ?         ?              ?        
1 1 1 -18 18 25 x ?        ?         ?              ?        
1 1 1 -18 18 26 x ?        ?         ?              ?        
1 1 1 -18 19 1  o 34.57500 5.363912  -17.11911      10.72782 
1 1 1 -18 19 2  o 19.96503 5.671410  0.4504509      11.34282 
1 1 1 -18 19 3  o 21.46918 5.841703  0.8070660      11.68341 
1 1 1 -18 19 4  o 25.46352 5.436086  -13.28926      10.87217 
1 1 1 -18 19 5  o 33.24422 5.873874  1.599705       11.74775 
1 1 1 -18 19 6  o 54.02430 4.998687  -16.24333      9.997375 
1 1 1 -18 19 7  f 27.46789 6.292288  3.315794       12.58458 
1 1 1 -18 19 8  o 21.08518 5.868928  0.5440979      11.73786 
1 1 1 -18 19 9  o 23.31236 5.766002  17.36172       11.53200 
1 1 1 -18 19 10 o 36.73218 5.658652  -37.39735      11.31730 
1 1 1 -18 19 11 o 25.59826 6.223336  10.80379       12.44667 
1 1 1 -18 19 12 o 40.06520 5.959715  -10.18868      11.91943 
1 1 1 -18 19 13 o 72.00603 4.057362  ?              ?        
1 1 1 -18 19 14 o 16.61533 5.132023  2.205663       10.26405 
1 1 1 -18 19 15 o 24.42946 5.094496  -12.12761      10.18899 
1 1 1 -18 19 16 o 19.36355 5.345939  2.542591       10.69188 
1 1 1 -18 19 17 o 15.08506 4.637677  3.943427       9.275353 
1 1 1 -18 19 18 o 10.37934 3.569325  0.4767342      7.138649 
1 1 1 -18 19 19 o 15.18585 4.613539  3.012628       9.227077 
1 1 1 -18 19 20 f 16.15867 4.847696  -2.304253      9.695392 
1 1 1 -18 19 21 o 25.16806 4.604637  -25.03525      9.209273 
1 1 1 -18 19 22 x ?        ?         ?              ?        
1 1 1 -18 19 23 x ?        ?         ?              ?        
1 1 1 -18 19 24 x ?        ?         ?              ?        
1 1 1 -18 20 1  o 18.96426 5.314588  1.386930       10.62918 
1 1 1 -18 20 2  o 21.75497 5.489894  -0.8202553E-01 10.97979 
1 1 1 -18 20 3  o 43.09920 4.749487  -1.498055      9.498975 
1 1 1 -18 20 4  o 20.88735 5.517994  14.01628       11.03599 
1 1 1 -18 20 5  o 26.35309 5.870429  0.6864929E-01  11.74086 
1 1 1 -18 20 6  o 18.24116 5.343112  -2.415508      10.68622 
1 1 1 -18 20 7  o 45.61187 4.933537  -9.434772      9.867074 
1 1 1 -18 20 8  f 18.49350 7.866994  ?              ?        
1 1 1 -18 20 9  o 29.68556 6.052391  -2.424063      12.10478 
1 1 1 -18 20 10 o 26.68756 5.396223  -8.591852      10.79245 
1 1 1 -18 20 11 o 69.10596 3.976492  ?              ?        
1 1 1 -18 20 12 o 21.49318 5.819620  0.8760319      11.63924 
1 1 1 -18 20 13 o 27.45909 5.506254  -3.728586      11.01251 
1 1 1 -18 20 14 o 51.60714 3.888211  -4.051487      7.776423 
1 1 1 -18 20 15 o 13.57887 4.377553  2.790572       8.755105 
1 1 1 -18 20 16 o 19.90082 5.582340  -3.076227      11.16468 
1 1 1 -18 20 17 o 16.51850 4.764350  -1.348506      9.528701 
1 1 1 -18 20 18 o 17.32795 4.989567  3.524123       9.979134 
1 1 1 -18 20 19 o 15.28296 4.725882  -1.162508      9.451764 
1 1 1 -18 20 20 x ?        ?         ?              ?        
1 1 1 -18 20 21 x ?        ?         ?              ?        
1 1 1 -18 20 22 x ?        ?         ?              ?        
1 1 1 -18 20 23 x ?        ?         ?              ?        
1 1 1 -18 21 1  o 52.50467 3.808657  -0.6757813     7.617315 
1 1 1 -18 21 2  o 14.23013 4.485760  -3.051129      8.971519 
1 1 1 -18 21 3  o 21.36103 5.331800  -3.617088      10.66360 
1 1 1 -18 21 4  o 40.24744 4.693802  -3.706532      9.387604 
1 1 1 -18 21 5  o 36.55873 7.724422  ?              ?        
1 1 1 -18 21 6  o 54.33122 6.218936  ?              ?        
1 1 1 -18 21 7  o 38.99323 4.824048  -11.65446      9.648096 
1 1 1 -18 21 8  o 39.48616 5.169151  ?              ?        
1 1 1 -18 21 9  o 16.40557 4.946971  -0.9138823     9.893942 
1 1 1 -18 21 10 f 21.32845 5.516033  4.223118       11.03207 
1 1 1 -18 21 11 o 21.13433 5.435273  5.945335       10.87055 
1 1 1 -18 21 12 o 37.60256 5.224588  -1.860611      10.44918 
1 1 1 -18 21 13 o 17.04328 4.978144  4.236485       9.956287 
1 1 1 -18 21 14 o 17.89498 4.957393  1.365711       9.914785 
1 1 1 -18 21 15 o 16.23530 4.571468  3.813289       9.142936 
1 1 1 -18 21 16 o 16.85483 7.424418  ?              ?        
1 1 1 -18 21 17 o 14.12210 4.533972  -8.714025      9.067945 
1 1 1 -18 21 18 o 16.12291 6.550092  ?              ?        
1 1 1 -18 21 19 x ?        ?         ?              ?        
1 1 1 -18 21 20 x ?        ?         ?              ?        
1 1 1 -18 21 21 x ?        ?         ?              ?        
1 1 1 -18 22 1  o 18.77074 4.930330  -6.991968      9.860661 
1 1 1 -18 22 2  o 45.78808 4.993150  -13.04318      9.986300 
1 1 1 -18 22 3  o 20.61819 5.067384  3.266918       10.13477 
1 1 1 -18 22 4  o 14.50628 4.573243  5.006697       9.146485 
1 1 1 -18 22 5  o 15.71759 6.375069  ?              ?        
1 1 1 -18 22 6  o 11.26262 5.273056  ?              ?        
1 1 1 -18 22 7  o 18.26383 5.176655  5.812412       10.35331 
1 1 1 -18 22 8  o 34.31160 4.711875  1.952431       9.423750 
1 1 1 -18 22 9  o 16.12382 4.663579  11.03267       9.327159 
1 1 1 -18 22 10 o 11.74670 3.866943  0.5429544      7.733885 
1 1 1 -18 22 11 o 14.46363 4.295496  -3.369387      8.590993 
1 1 1 -18 22 12 o 13.37221 4.236158  2.017840       8.472317 
1 1 1 -18 22 13 o 26.21153 4.533637  -11.38021      9.067274 
1 1 1 -18 22 14 o 15.14379 4.644683  3.678749       9.289367 
1 1 1 -18 22 15 o 28.16985 5.715962  -11.65743      11.43192 
1 1 1 -18 22 16 o 15.54253 6.512555  ?              ?        
1 1 1 -18 22 17 x ?        ?         ?              ?        
1 1 1 -18 22 18 x ?        ?         ?              ?        
1 1 1 -18 22 19 x ?        ?         ?              ?        
1 1 1 -18 23 1  o 26.29681 4.890675  7.379829       9.781350 
1 1 1 -18 23 2  o 16.91320 6.108873  ?              ?        
1 1 1 -18 23 3  o 23.48534 4.717666  -5.395597      9.435331 
1 1 1 -18 23 4  f 20.15546 4.803801  -3.547352      9.607601 
1 1 1 -18 23 5  o 29.54586 4.207070  -8.738956      8.414140 
1 1 1 -18 23 6  o 14.83728 4.342312  -2.194531      8.684624 
1 1 1 -18 23 7  o 11.81135 3.788002  -0.8732252     7.576003 
1 1 1 -18 23 8  o 16.47255 4.685025  1.841281       9.370049 
1 1 1 -18 23 9  o 34.53254 4.216243  -11.12146      8.432486 
1 1 1 -18 23 10 o 13.43260 4.024642  -5.426764      8.049284 
1 1 1 -18 23 11 o 16.00792 4.421916  1.082623       8.843831 
1 1 1 -18 23 12 o 17.01217 6.904183  ?              ?        
1 1 1 -18 23 13 o 16.68644 6.759155  ?              ?        
1 1 1 -18 23 14 o 13.91333 6.038102  ?              ?        
1 1 1 -18 23 15 x ?        ?         ?              ?        
1 1 1 -18 23 16 x ?        ?         ?              ?        
1 1 1 -18 23 17 x ?        ?         ?              ?        
1 1 1 -18 24 1  o 13.53688 4.229801  3.095862       8.459602 
1 1 1 -18 24 2  o 11.52008 3.740450  -1.574368      7.480900 
1 1 1 -18 24 3  o 19.02669 4.620811  -3.577913      9.241623 
1 1 1 -18 24 4  o 10.28212 3.484500  1.505471       6.969000 
1 1 1 -18 24 5  o 19.15231 4.331863  -8.686554      8.663726 
1 1 1 -18 24 6  o 10.77315 3.502553  -4.133602      7.005105 
1 1 1 -18 24 7  o 14.12438 4.223186  1.468372       8.446373 
1 1 1 -18 24 8  o 13.20426 4.118359  1.989573       8.236717 
1 1 1 -18 24 9  o 14.52623 4.628083  0.8182516      9.256166 
1 1 1 -18 24 10 f 23.45208 7.304569  ?              ?        
1 1 1 -18 24 11 o 16.19508 6.602129  ?              ?        
1 1 1 -18 24 12 x ?        ?         ?              ?        
1 1 1 -18 24 13 x ?        ?         ?              ?        
1 1 1 -18 24 14 x ?        ?         ?              ?        
1 1 1 -18 25 2  o 12.54165 3.990522  1.293460       7.981044 
1 1 1 -18 25 3  o 14.99699 4.336553  -0.5469284     8.673106 
1 1 1 -18 25 4  o 16.75543 4.097730  -11.41405      8.195459 
1 1 1 -18 25 5  o 17.27827 4.659233  -2.960138      9.318465 
1 1 1 -18 25 6  o 16.44233 6.702682  ?              ?        
1 1 1 -18 25 7  o 16.39980 6.739395  ?              ?        
1 1 1 -18 25 8  o 17.65920 6.964513  ?              ?        
1 1 1 -17 0  1  o 240.1984 3.493618  -0.000000      0.000000 
1 1 1 -17 0  2  f 268.8173 3.814779  -0.000000      0.000000 
1 1 1 -17 0  3  o 163.7375 2.621964  -0.000000      0.000000 
1 1 1 -17 0  4  o 86.66431 3.017782  0.000000       0.000000 
1 1 1 -17 0  5  o 118.9053 2.301705  -0.000000      0.000000 
1 1 1 -17 0  6  o 31.99797 3.446397  0.000000       0.000000 
1 1 1 -17 0  7  o 76.17473 2.261017  -0.000000      0.000000 
1 1 1 -17 0  8  o 154.8818 2.585581  0.000000       0.000000 
1 1 1 -17 0  9  o 103.7102 2.232178  -0.000000      0.000000 
1 1 1 -17 0  10 o 11.81269 6.349549  0.000000       0.000000 
1 1 1 -17 0  11 o 9.150208 6.172371  -0.000000      0.000000 
1 1 1 -17 0  12 f 214.8905 3.282583  -0.000000      0.000000 
1 1 1 -17 0  13 o 53.30466 3.218688  0.000000       0.000000 
1 1 1 -17 0  14 o 73.18377 2.259733  0.000000       0.000000 
1 1 1 -17 0  15 o 58.81680 2.487312  -0.000000      0.000000 
1 1 1 -17 0  16 o 142.4380 2.580066  0.000000       0.000000 
1 1 1 -17 0  17 o 21.42653 5.597789  -0.000000      0.000000 
1 1 1 -17 0  18 o 59.39479 2.536283  0.000000       0.000000 
1 1 1 -17 0  19 o 24.94837 4.666803  -0.000000      0.000000 
1 1 1 -17 0  20 o 11.35044 6.445181  0.000000       0.000000 
1 1 1 -17 0  21 o 41.97584 5.832338  -0.000000      0.000000 
1 1 1 -17 0  22 o 157.5487 4.476401  0.000000       0.000000 
1 1 1 -17 0  23 o 112.3272 2.751583  -0.000000      0.000000 
1 1 1 -17 0  24 o 35.70705 4.200133  0.000000       0.000000 
1 1 1 -17 0  25 f 24.43964 7.250123  -0.000000      0.000000 
1 1 1 -17 0  26 o 74.12936 3.205668  -0.000000      0.000000 
1 1 1 -17 0  27 o 18.67864 8.698856  0.000000       0.000000 
1 1 1 -17 0  28 o 9.555597 6.251851  0.000000       0.000000 
1 1 1 -17 0  29 o 14.43439 8.335961  -0.000000      0.000000 
1 1 1 -17 0  30 x ?        ?         ?              ?        
1 1 1 -17 0  31 o 53.17318 3.921392  -0.000000      0.000000 
1 1 1 -17 0  32 o 13.01644 7.527978  -0.000000      0.000000 
1 1 1 -17 0  33 o 10.55599 6.851028  -0.000000      0.000000 
1 1 1 -17 0  34 o 12.45306 7.738287  0.000000       0.000000 
1 1 1 -17 0  35 o 14.20722 8.552178  -0.000000      0.000000 
1 1 1 -17 1  1  o 101.5280 1.932655  3.080322       3.865311 
1 1 1 -17 1  2  o 89.07204 1.560611  0.6284485      3.121222 
1 1 1 -17 1  3  f 77.81578 1.585007  -3.998421      3.170014 
1 1 1 -17 1  4  o 123.0368 2.095896  5.700676       4.191791 
1 1 1 -17 1  5  o 88.20301 1.579947  1.106628       3.159895 
1 1 1 -17 1  6  o 152.9370 1.812924  -2.095718      3.625848 
1 1 1 -17 1  7  o 202.6084 2.167752  -0.3231812E-01 4.335504 
1 1 1 -17 1  8  o 56.41624 1.738643  -1.876076      3.477285 
1 1 1 -17 1  9  o 80.51836 1.574202  3.851852       3.148405 
1 1 1 -17 1  10 o 87.29755 1.581227  0.9378052      3.162454 
1 1 1 -17 1  11 o 91.78465 2.450425  10.31939       4.900849 
1 1 1 -17 1  12 o 110.8500 2.338879  1.430252       4.677759 
1 1 1 -17 1  13 o 38.98613 2.798958  1.463718       5.597917 
1 1 1 -17 1  14 o 114.3023 1.673948  -5.696976      3.347896 
1 1 1 -17 1  15 o 195.2547 2.178189  1.663727       4.356377 
1 1 1 -17 1  16 o 131.7993 1.782431  4.311920       3.564863 
1 1 1 -17 1  17 o 40.54099 2.210735  -4.623180      4.421471 
1 1 1 -17 1  18 o 38.47392 2.283504  -4.229950      4.567007 
1 1 1 -17 1  19 o 57.90078 1.913936  -2.468494      3.827872 
1 1 1 -17 1  20 o 61.86285 1.876645  4.576283       3.753290 
1 1 1 -17 1  21 x ?        ?         ?              ?        
1 1 1 -17 1  22 o 91.98418 2.984611  -5.917664      5.969223 
1 1 1 -17 1  23 o 97.57768 1.953951  -1.354332      3.907903 
1 1 1 -17 1  24 o 81.30882 2.054976  -5.246567      4.109951 
1 1 1 -17 1  25 o 76.83688 2.175338  -0.8150787     4.350676 
1 1 1 -17 1  26 o 61.16084 2.475604  -6.446941      4.951209 
1 1 1 -17 1  27 o 35.23222 5.562183  -1.175434      11.12437 
1 1 1 -17 1  28 o 16.88849 4.559114  7.030666       9.118227 
1 1 1 -17 1  29 o 39.07915 4.114960  1.256184       8.229919 
1 1 1 -17 1  30 o 23.12469 8.454687  ?              ?        
1 1 1 -17 1  31 o 26.89455 4.289962  -1.231293      8.579924 
1 1 1 -17 1  32 o 24.50853 4.702396  1.878738       9.404793 
1 1 1 -17 1  33 o 15.72258 4.315411  -9.973176      8.630822 
1 1 1 -17 1  34 o 29.39744 4.925502  24.96332       9.851005 
1 1 1 -17 1  35 o 19.33323 5.436207  -0.6976528     10.87241 
1 1 1 -17 2  1  o 96.48174 2.020435  5.749222       4.040869 
1 1 1 -17 2  2  o 91.85199 1.579709  2.898567       3.159418 
1 1 1 -17 2  3  o 117.1009 1.894379  -1.379517      3.788759 
1 1 1 -17 2  4  f 119.8494 1.682260  1.451500       3.364521 
1 1 1 -17 2  5  o 68.27493 1.678508  5.685486       3.357017 
1 1 1 -17 2  6  o 209.6802 2.248666  12.22781       4.497332 
1 1 1 -17 2  7  o 107.8818 1.635485  -3.550362      3.270969 
1 1 1 -17 2  8  o 97.93788 1.627251  3.976135       3.254501 
1 1 1 -17 2  9  o 115.1123 1.676916  8.477875       3.353832 
1 1 1 -17 2  10 o 117.2479 2.167481  -1.349426      4.334963 
1 1 1 -17 2  11 f 172.3589 2.012935  -6.300613      4.025870 
1 1 1 -17 2  12 o 99.10048 2.333572  9.618813       4.667144 
1 1 1 -17 2  13 o 74.50415 2.026306  2.448067       4.052612 
1 1 1 -17 2  14 o 60.25429 1.733713  -3.524750      3.467427 
1 1 1 -17 2  15 f 113.0457 1.710605  6.773193       3.421210 
1 1 1 -17 2  16 o 98.68118 1.665064  -5.446175      3.330128 
1 1 1 -17 2  17 o 36.69881 2.359591  0.6834450      4.719182 
1 1 1 -17 2  18 o 160.2239 1.986051  -3.315201      3.972101 
1 1 1 -17 2  19 o 22.21623 5.039954  -7.556471      10.07991 
1 1 1 -17 2  20 o 84.64302 1.792671  -0.5671005     3.585341 
1 1 1 -17 2  21 x ?        ?         ?              ?        
1 1 1 -17 2  22 o 35.61908 4.792752  12.38735       9.585505 
1 1 1 -17 2  23 o 55.57699 2.883889  -1.377834      5.767778 
1 1 1 -17 2  24 o 53.72032 2.403884  -7.713718      4.807767 
1 1 1 -17 2  25 o 48.12049 2.734765  5.503849       5.469530 
1 1 1 -17 2  26 o 34.21475 4.033401  -10.83679      8.066801 
1 1 1 -17 2  27 o 74.12521 3.595924  -6.908333      7.191848 
1 1 1 -17 2  28 o 16.01663 4.503146  2.801949       9.006291 
1 1 1 -17 2  29 o 47.04234 3.655943  -1.983437      7.311886 
1 1 1 -17 2  30 o 13.25892 4.315321  0.4474955      8.630642 
1 1 1 -17 2  31 o 36.09250 3.651495  -12.27979      7.302990 
1 1 1 -17 2  32 o 14.78806 4.380079  4.413845       8.760158 
1 1 1 -17 2  33 o 28.46394 4.646589  -0.8255959E-01 9.293179 
1 1 1 -17 2  34 o 18.88616 5.478837  -5.471928      10.95767 
1 1 1 -17 2  35 o 20.03407 8.334312  ?              ?        
1 1 1 -17 3  1  o 117.3575 2.702509  ?              ?        
1 1 1 -17 3  2  o 56.78343 1.898041  -6.011822      3.796082 
1 1 1 -17 3  3  o 211.4303 3.262570  -9.737213      6.525139 
1 1 1 -17 3  4  o 289.7816 2.929956  -3.766968      5.859913 
1 1 1 -17 3  5  o 130.3428 1.767242  -6.277649      3.534484 
1 1 1 -17 3  6  o 62.30822 1.854183  -3.675365      3.708365 
1 1 1 -17 3  7  o 160.0833 1.928229  4.861511       3.856458 
1 1 1 -17 3  8  o 62.83624 1.833412  4.600941       3.666823 
1 1 1 -17 3  9  o 142.0768 1.827657  -3.352783      3.655314 
1 1 1 -17 3  10 o 130.9647 2.549063  -5.704910      5.098126 
1 1 1 -17 3  11 o 29.55535 3.306722  -8.405416      6.613444 
1 1 1 -17 3  12 o 157.2379 4.226442  ?              ?        
1 1 1 -17 3  13 o 17.14515 3.877009  1.405462       7.754018 
1 1 1 -17 3  14 o 122.3994 1.748405  -3.427879      3.496809 
1 1 1 -17 3  15 o 35.35326 2.639880  -6.395008      5.279760 
1 1 1 -17 3  16 o 94.96957 1.740010  -2.667114      3.480020 
1 1 1 -17 3  17 o 148.9126 1.955430  0.5454254      3.910861 
1 1 1 -17 3  18 o 19.25050 3.955983  -0.5071716     7.911967 
1 1 1 -17 3  19 o 37.65623 4.369618  -12.26709      8.739237 
1 1 1 -17 3  20 o 47.20227 2.271671  7.863255       4.543341 
1 1 1 -17 3  21 x ?        ?         ?              ?        
1 1 1 -17 3  22 o 37.66659 4.863365  -9.744976      9.726730 
1 1 1 -17 3  23 o 48.58821 3.195394  0.6061707      6.390787 
1 1 1 -17 3  24 o 110.0425 2.049493  0.6381683      4.098987 
1 1 1 -17 3  25 o 76.62712 2.298200  -3.140320      4.596399 
1 1 1 -17 3  26 o 47.95250 2.885924  -9.812973      5.771847 
1 1 1 -17 3  27 o 22.92349 5.777158  -8.558325      11.55432 
1 1 1 -17 3  28 o 78.55699 2.365197  -8.389671      4.730393 
1 1 1 -17 3  29 o 55.22795 3.054538  -15.95173      6.109075 
1 1 1 -17 3  30 o 63.88155 2.583991  -3.321697      5.167982 
1 1 1 -17 3  31 f 15.20865 4.410201  -4.049951      8.820402 
1 1 1 -17 3  32 o 27.25041 4.347497  -1.133314      8.694995 
1 1 1 -17 3  33 o 13.64592 4.263982  1.973603       8.527965 
1 1 1 -17 3  34 o 17.65197 5.232950  2.944328       10.46590 
1 1 1 -17 3  35 x ?        ?         ?              ?        
1 1 1 -17 4  1  o 56.30548 2.217051  2.914551       4.434102 
1 1 1 -17 4  2  o 49.09444 2.365217  6.037323       4.730433 
1 1 1 -17 4  3  o 108.4014 2.449093  -11.24954      4.898187 
1 1 1 -17 4  4  o 72.18990 1.907173  -4.643234      3.814346 
1 1 1 -17 4  5  o 65.91788 1.949803  -6.357063      3.899605 
1 1 1 -17 4  6  o 95.55049 1.817719  0.8100891      3.635437 
1 1 1 -17 4  7  o 115.0192 1.819668  -1.523651      3.639336 
1 1 1 -17 4  8  o 30.52744 3.029114  13.06136       6.058227 
1 1 1 -17 4  9  o 62.02347 1.997032  0.1357040      3.994065 
1 1 1 -17 4  10 o 37.10507 2.970805  5.577820       5.941610 
1 1 1 -17 4  11 o 126.3864 1.857983  4.997833       3.715967 
1 1 1 -17 4  12 o 91.45705 2.633166  -0.4629745     5.266331 
1 1 1 -17 4  13 o 67.68322 1.871391  2.913864       3.742781 
1 1 1 -17 4  14 o 115.5598 1.838219  -3.282768      3.676438 
1 1 1 -17 4  15 o 110.0365 1.859892  -8.021767      3.719783 
1 1 1 -17 4  16 o 156.5321 2.025935  -6.426483      4.051870 
1 1 1 -17 4  17 o 55.62304 2.107873  -3.153225      4.215745 
1 1 1 -17 4  18 o 60.94482 2.061409  2.342583       4.122818 
1 1 1 -17 4  19 o 49.37857 3.369635  -0.8803864     6.739269 
1 1 1 -17 4  20 o 101.6821 1.952551  -5.279648      3.905102 
1 1 1 -17 4  21 x ?        ?         ?              ?        
1 1 1 -17 4  22 o 19.04590 4.799413  -8.062608      9.598825 
1 1 1 -17 4  23 o 45.32116 3.331033  6.740280       6.662065 
1 1 1 -17 4  24 o 30.71031 4.205702  -21.43855      8.411405 
1 1 1 -17 4  25 o 85.51726 3.716245  ?              ?        
1 1 1 -17 4  26 f 82.29527 2.381253  -10.02560      4.762506 
1 1 1 -17 4  27 o 72.31001 3.621567  -13.58606      7.243134 
1 1 1 -17 4  28 f 22.65264 4.861182  -2.033096      9.722364 
1 1 1 -17 4  29 o 40.75863 3.305198  -2.667198      6.610397 
1 1 1 -17 4  30 o 21.67710 4.219507  19.29762       8.439013 
1 1 1 -17 4  31 o 55.86550 2.846695  -16.26852      5.693390 
1 1 1 -17 4  32 o 26.20872 4.629062  -7.845896      9.258124 
1 1 1 -17 4  33 o 16.79040 4.550951  6.527449       9.101902 
1 1 1 -17 4  34 o 14.72877 4.807525  -0.2942219     9.615049 
1 1 1 -17 4  35 x ?        ?         ?              ?        
1 1 1 -17 5  1  o 199.6543 2.794291  -6.569443      5.588581 
1 1 1 -17 5  2  o 51.91232 6.346200  ?              ?        
1 1 1 -17 5  3  o 138.9334 2.397972  ?              ?        
1 1 1 -17 5  4  f 199.1563 2.336503  -0.9765625     4.673006 
1 1 1 -17 5  5  o 162.6947 2.094272  -4.462158      4.188544 
1 1 1 -17 5  6  o 55.38476 2.257735  -8.220421      4.515471 
1 1 1 -17 5  7  o 99.34373 1.915959  -0.9466095     3.831917 
1 1 1 -17 5  8  o 89.31599 1.899187  1.375465       3.798374 
1 1 1 -17 5  9  o 19.24754 4.774697  11.58850       9.549394 
1 1 1 -17 5  10 o 157.3204 2.097360  8.024628       4.194721 
1 1 1 -17 5  11 o 156.8982 2.461648  6.900543       4.923295 
1 1 1 -17 5  12 f 138.4679 2.035295  -0.2980194     4.070590 
1 1 1 -17 5  13 o 19.74374 3.310614  -14.58372      6.621228 
1 1 1 -17 5  14 o 66.73715 2.005648  0.2263641E-01  4.011295 
1 1 1 -17 5  15 o 22.69214 3.934474  -1.715389      7.868948 
1 1 1 -17 5  16 o 61.44565 2.151598  -11.24392      4.303195 
1 1 1 -17 5  17 o 78.19686 2.070035  -9.650772      4.140070 
1 1 1 -17 5  18 o 100.1983 2.808373  -5.429810      5.616745 
1 1 1 -17 5  19 o 79.36871 2.006917  1.898575       4.013835 
1 1 1 -17 5  20 x ?        ?         ?              ?        
1 1 1 -17 5  21 o 106.0053 2.992971  -1.904785      5.985941 
1 1 1 -17 5  22 o 64.68027 3.351445  2.843582       6.702890 
1 1 1 -17 5  23 o 83.76257 2.503286  4.808701       5.006571 
1 1 1 -17 5  24 o 51.70691 2.802459  6.910835       5.604919 
1 1 1 -17 5  25 f 99.85075 2.282931  -3.208168      4.565861 
1 1 1 -17 5  26 o 33.72361 4.563862  -11.50628      9.127725 
1 1 1 -17 5  27 o 37.86361 3.930423  -7.883949      7.860847 
1 1 1 -17 5  28 o 19.66443 5.503669  8.357183       11.00734 
1 1 1 -17 5  29 o 18.87847 4.947218  4.701420       9.894437 
1 1 1 -17 5  30 f 23.09200 4.602437  -10.27951      9.204874 
1 1 1 -17 5  31 o 33.45127 4.100231  -3.538139      8.200462 
1 1 1 -17 5  32 o 61.40204 2.763706  -25.04299      5.527413 
1 1 1 -17 5  33 o 15.07238 4.808809  -5.839172      9.617619 
1 1 1 -17 5  34 o 15.44829 5.004436  -8.576118      10.00887 
1 1 1 -17 5  35 x ?        ?         ?              ?        
1 1 1 -17 6  1  o 75.17017 2.302779  ?              ?        
1 1 1 -17 6  2  o 122.3054 2.093521  2.199707       4.187043 
1 1 1 -17 6  3  o 38.70548 3.333357  -12.66573      6.666713 
1 1 1 -17 6  4  o 194.1612 2.371020  2.223312       4.742040 
1 1 1 -17 6  5  o 181.8463 2.298179  7.958542       4.596357 
1 1 1 -17 6  6  o 35.43752 3.385116  -8.996258      6.770232 
1 1 1 -17 6  7  o 43.22071 2.672521  -1.020096      5.345043 
1 1 1 -17 6  8  o 105.4473 2.518886  12.94966       5.037771 
1 1 1 -17 6  9  o 181.0963 2.700958  4.404724       5.401915 
1 1 1 -17 6  10 o 107.2955 2.043670  -0.7899475     4.087341 
1 1 1 -17 6  11 o 157.3152 2.831904  -0.5344543     5.663809 
1 1 1 -17 6  12 o 39.77064 2.810879  8.529305       5.621758 
1 1 1 -17 6  13 o 53.48280 2.348621  3.072159       4.697242 
1 1 1 -17 6  14 o 166.5272 2.226909  -5.202072      4.453817 
1 1 1 -17 6  15 o 156.5369 2.187606  2.273712       4.375211 
1 1 1 -17 6  16 o 183.7629 2.349579  8.444946       4.699158 
1 1 1 -17 6  17 o 22.00182 4.394228  5.138208       8.788455 
1 1 1 -17 6  18 o 85.87122 2.904656  2.094696       5.809312 
1 1 1 -17 6  19 o 34.43995 3.159801  14.49859       6.319602 
1 1 1 -17 6  20 x ?        ?         ?              ?        
1 1 1 -17 6  21 o 20.00861 5.333313  1.447962       10.66663 
1 1 1 -17 6  22 o 58.99073 3.735864  10.73332       7.471729 
1 1 1 -17 6  23 o 61.01463 2.994579  -2.675274      5.989158 
1 1 1 -17 6  24 o 40.48360 3.338350  ?              ?        
1 1 1 -17 6  25 o 54.10929 3.043000  -5.943546      6.086000 
1 1 1 -17 6  26 o 19.50729 4.754660  -13.92391      9.509319 
1 1 1 -17 6  27 o 62.15634 2.760877  -12.53986      5.521755 
1 1 1 -17 6  28 o 65.46298 3.108225  -15.18118      6.216450 
1 1 1 -17 6  29 o 29.34766 4.671254  -0.9939365     9.342508 
1 1 1 -17 6  30 o 45.87935 3.394059  -11.76778      6.788118 
1 1 1 -17 6  31 o 21.35853 4.327004  -15.38222      8.654009 
1 1 1 -17 6  32 o 13.87597 4.239790  4.173604       8.479580 
1 1 1 -17 6  33 o 20.13957 5.685742  2.133307       11.37148 
1 1 1 -17 6  34 o 21.82018 8.951235  ?              ?        
1 1 1 -17 7  1  f 132.0080 2.479748  -6.938248      4.959496 
1 1 1 -17 7  2  o 89.67566 2.502414  8.408386       5.004829 
1 1 1 -17 7  3  o 52.77469 2.559589  4.261467       5.119177 
1 1 1 -17 7  4  o 86.92470 2.189950  0.5618591      4.379900 
1 1 1 -17 7  5  o 58.28474 2.423003  2.784298       4.846006 
1 1 1 -17 7  6  o 67.19249 2.284433  -3.955078      4.568865 
1 1 1 -17 7  7  o 50.56301 5.412234  ?              ?        
1 1 1 -17 7  8  o 140.2122 2.519283  -1.326035      5.038566 
1 1 1 -17 7  9  o 107.5489 2.115999  2.299232       4.231999 
1 1 1 -17 7  10 o 112.2679 2.857921  -5.005020      5.715843 
1 1 1 -17 7  11 o 101.8837 2.167339  -5.825905      4.334677 
1 1 1 -17 7  12 o 44.02483 3.073212  -15.80161      6.146423 
1 1 1 -17 7  13 o 120.7276 2.142697  -7.826385      4.285394 
1 1 1 -17 7  14 o 186.0558 2.409940  6.171021       4.819880 
1 1 1 -17 7  15 o 35.80389 3.181663  8.565754       6.363326 
1 1 1 -17 7  16 o 61.51557 2.412154  -2.073540      4.824309 
1 1 1 -17 7  17 o 41.41565 3.945050  2.983070       7.890100 
1 1 1 -17 7  18 o 18.45740 4.044590  -7.836453      8.089179 
1 1 1 -17 7  19 x ?        ?         ?              ?        
1 1 1 -17 7  20 o 74.76657 3.182817  15.48485       6.365634 
1 1 1 -17 7  21 o 25.63938 5.579023  -4.024679      11.15805 
1 1 1 -17 7  22 o 50.10564 4.831510  -9.304909      9.663020 
1 1 1 -17 7  23 o 63.07556 3.063678  -7.007854      6.127356 
1 1 1 -17 7  24 o 23.21523 5.041545  -2.732384      10.08309 
1 1 1 -17 7  25 o 35.14243 4.685066  -10.06639      9.370132 
1 1 1 -17 7  26 o 65.41418 2.953692  -17.04873      5.907384 
1 1 1 -17 7  27 o 41.23292 5.068451  -16.24554      10.13690 
1 1 1 -17 7  28 o 45.56875 3.558088  -11.11801      7.116175 
1 1 1 -17 7  29 o 25.83926 4.901700  -9.432104      9.803400 
1 1 1 -17 7  30 o 27.33792 4.719292  6.113598       9.438583 
1 1 1 -17 7  31 o 18.47467 4.867277  2.104712       9.734553 
1 1 1 -17 7  32 o 22.05181 5.360721  -1.494585      10.72144 
1 1 1 -17 7  33 o 28.54571 6.185781  -16.95439      12.37156 
1 1 1 -17 7  34 x ?        ?         ?              ?        
1 1 1 -17 8  1  o 122.8315 2.560568  2.336617       5.121137 
1 1 1 -17 8  2  o 135.2229 2.629808  3.671463       5.259616 
1 1 1 -17 8  3  o 118.9701 2.593449  9.261612       5.186898 
1 1 1 -17 8  4  o 64.74937 2.817921  -0.5898285     5.635843 
1 1 1 -17 8  5  o 56.92046 2.581024  -0.2587166     5.162047 
1 1 1 -17 8  6  o 47.82292 3.385192  -2.854568      6.770384 
1 1 1 -17 8  7  o 59.15160 3.000059  7.540466       6.000119 
1 1 1 -17 8  8  o 77.80200 2.687993  1.487740       5.375986 
1 1 1 -17 8  9  o 54.75746 3.727374  -1.405277      7.454748 
1 1 1 -17 8  10 o 83.14380 2.332704  -3.185265      4.665408 
1 1 1 -17 8  11 o 85.24083 2.671900  1.310966       5.343799 
1 1 1 -17 8  12 o 46.98074 2.866296  3.404682       5.732592 
1 1 1 -17 8  13 o 57.83602 4.328474  ?              ?        
1 1 1 -17 8  14 o 20.14694 4.197525  -8.133783      8.395050 
1 1 1 -17 8  15 o 47.80615 2.815386  3.492401       5.630773 
1 1 1 -17 8  16 o 22.67103 5.083792  1.185013       10.16758 
1 1 1 -17 8  17 o 74.13251 2.385580  1.750740       4.771160 
1 1 1 -17 8  18 o 28.58683 4.372368  -6.062727      8.744736 
1 1 1 -17 8  19 o 42.99318 4.161169  7.171650       8.322338 
1 1 1 -17 8  20 o 66.21721 3.515364  -4.240471      7.030728 
1 1 1 -17 8  21 o 73.08841 3.834386  -19.45684      7.668772 
1 1 1 -17 8  22 o 39.30293 5.477834  -7.819698      10.95567 
1 1 1 -17 8  23 o 72.12000 2.882347  5.793213       5.764695 
1 1 1 -17 8  24 o 51.07970 3.406329  -2.483761      6.812658 
1 1 1 -17 8  25 o 52.99363 4.217302  7.723404       8.434604 
1 1 1 -17 8  26 o 47.29630 3.466130  -7.490093      6.932260 
1 1 1 -17 8  27 o 63.87397 3.344029  -6.394508      6.688058 
1 1 1 -17 8  28 o 40.48785 3.702596  -5.032043      7.405191 
1 1 1 -17 8  29 o 63.32539 3.297013  -20.98857      6.594026 
1 1 1 -17 8  30 f 29.60197 4.477005  -3.935619      8.954009 
1 1 1 -17 8  31 o 28.48172 4.588849  -9.094931      9.177697 
1 1 1 -17 8  32 o 24.19856 5.692416  -18.47045      11.38483 
1 1 1 -17 8  33 o 17.74893 8.201098  ?              ?        
1 1 1 -17 8  34 x ?        ?         ?              ?        
1 1 1 -17 9  1  o 101.9251 2.672901  1.684013       5.345801 
1 1 1 -17 9  2  o 127.3011 2.681939  -5.467995      5.363877 
1 1 1 -17 9  3  o 83.29160 2.692885  -4.201973      5.385770 
1 1 1 -17 9  4  o 86.60703 2.758562  3.786118       5.517124 
1 1 1 -17 9  5  o 64.66861 3.022150  -4.092033      6.044300 
1 1 1 -17 9  6  o 84.58334 3.150620  10.45068       6.301239 
1 1 1 -17 9  7  o 61.54084 2.972756  -2.144043      5.945513 
1 1 1 -17 9  8  o 55.35706 3.997450  -4.491619      7.994901 
1 1 1 -17 9  9  o 109.5207 2.293129  -4.562737      4.586257 
1 1 1 -17 9  10 o 155.4446 2.397550  2.905624       4.795100 
1 1 1 -17 9  11 o 53.49576 3.881453  -10.68078      7.762906 
1 1 1 -17 9  12 o 42.51254 3.327077  -5.864338      6.654153 
1 1 1 -17 9  13 o 49.05885 2.984757  1.636311       5.969514 
1 1 1 -17 9  14 o 147.5829 2.365326  9.511902       4.730652 
1 1 1 -17 9  15 o 36.80446 4.089592  6.730240       8.179185 
1 1 1 -17 9  16 o 43.41817 3.484708  2.668167       6.969415 
1 1 1 -17 9  17 o 55.64509 2.877628  -4.040615      5.755255 
1 1 1 -17 9  18 o 68.30312 3.859471  ?              ?        
1 1 1 -17 9  19 o 52.62464 4.093495  -2.943222      8.186990 
1 1 1 -17 9  20 o 51.75764 4.207130  3.530720       8.414261 
1 1 1 -17 9  21 f 15.39650 4.755975  -4.591948      9.511950 
1 1 1 -17 9  22 o 34.99430 5.720791  1.695831       11.44158 
1 1 1 -17 9  23 o 43.14055 4.173399  -0.6391792     8.346798 
1 1 1 -17 9  24 o 66.24853 4.060876  -3.120407      8.121752 
1 1 1 -17 9  25 o 20.53111 5.044917  -2.995861      10.08983 
1 1 1 -17 9  26 o 37.51795 5.888627  -20.88076      11.77725 
1 1 1 -17 9  27 o 58.59908 3.180205  -13.42051      6.360409 
1 1 1 -17 9  28 o 35.53087 4.583904  ?              ?        
1 1 1 -17 9  29 o 23.98530 5.533762  -9.707994      11.06752 
1 1 1 -17 9  30 o 17.03399 4.726735  3.494662       9.453469 
1 1 1 -17 9  31 o 42.00089 4.511256  -35.35647      9.022511 
1 1 1 -17 9  32 o 19.80766 5.742974  -8.394849      11.48595 
1 1 1 -17 9  33 x ?        ?         ?              ?        
1 1 1 -17 10 1  f 94.59129 2.726492  -3.388725      5.452984 
1 1 1 -17 10 2  o 100.7155 2.675635  7.437904       5.351270 
1 1 1 -17 10 3  o 76.11160 2.837767  -6.672394      5.675535 
1 1 1 -17 10 4  o 92.58775 2.805675  16.91594       5.611351 
1 1 1 -17 10 5  o 49.70297 4.269903  1.871197       8.539806 
1 1 1 -17 10 6  o 69.51085 3.395139  3.508995       6.790277 
1 1 1 -17 10 7  o 74.41566 3.044511  ?              ?        
1 1 1 -17 10 8  o 112.0050 2.773181  -2.314728      5.546363 
1 1 1 -17 10 9  o 65.23611 2.707412  -1.701462      5.414824 
1 1 1 -17 10 10 o 118.3235 2.385369  -3.119286      4.770737 
1 1 1 -17 10 11 o 126.2921 3.186645  6.352005       6.373289 
1 1 1 -17 10 12 o 113.5025 2.409549  -4.182114      4.819098 
1 1 1 -17 10 13 o 42.11867 5.224911  10.89096       10.44982 
1 1 1 -17 10 14 o 175.9773 3.131984  5.786636       6.263967 
1 1 1 -17 10 15 o 107.3888 2.681558  1.753120       5.363115 
1 1 1 -17 10 16 o 62.38046 2.739633  6.363678       5.479267 
1 1 1 -17 10 17 o 50.53753 3.530531  ?              ?        
1 1 1 -17 10 18 o 60.81457 3.697946  12.76891       7.395893 
1 1 1 -17 10 19 o 98.35755 3.407561  1.803284       6.815122 
1 1 1 -17 10 20 o 114.5163 3.527487  -8.963570      7.054975 
1 1 1 -17 10 21 o 46.92942 5.229554  -3.523453      10.45911 
1 1 1 -17 10 22 o 17.28229 5.185531  -0.9785538     10.37106 
1 1 1 -17 10 23 o 24.88416 5.716131  1.753820       11.43226 
1 1 1 -17 10 24 o 26.85325 5.335147  -9.784250      10.67029 
1 1 1 -17 10 25 o 47.21090 5.382741  -11.92280      10.76548 
1 1 1 -17 10 26 o 27.69941 4.085459  -24.01248      8.170918 
1 1 1 -17 10 27 o 40.43870 6.261189  ?              ?        
1 1 1 -17 10 28 o 22.36260 4.778900  -6.383247      9.557799 
1 1 1 -17 10 29 o 16.31130 5.040816  1.812274       10.08163 
1 1 1 -17 10 30 o 45.17259 4.724634  ?              ?        
1 1 1 -17 10 31 o 19.42780 5.604126  -0.2011967     11.20825 
1 1 1 -17 10 32 o 51.51423 7.849791  ?              ?        
1 1 1 -17 10 33 x ?        ?         ?              ?        
1 1 1 -17 11 1  o 57.59410 3.235685  5.718548       6.471370 
1 1 1 -17 11 2  o 132.6159 2.861315  2.973419       5.722630 
1 1 1 -17 11 3  o 91.77420 3.462327  -0.3783340     6.924654 
1 1 1 -17 11 4  o 88.84325 3.254304  3.797913       6.508608 
1 1 1 -17 11 5  o 74.92209 3.048245  -2.457283      6.096489 
1 1 1 -17 11 6  f 100.8375 3.081945  ?              ?        
1 1 1 -17 11 7  o 148.4577 3.062350  2.213242       6.124700 
1 1 1 -17 11 8  o 68.22531 3.153424  6.844093       6.306847 
1 1 1 -17 11 9  o 57.72233 3.534229  3.370270       7.068459 
1 1 1 -17 11 10 o 44.68088 3.908186  -2.536041      7.816371 
1 1 1 -17 11 11 o 20.19517 5.288945  -9.054445      10.57789 
1 1 1 -17 11 12 o 63.79762 2.882452  -2.062344      5.764905 
1 1 1 -17 11 13 o 176.1557 4.553234  ?              ?        
1 1 1 -17 11 14 o 45.61296 4.093022  -10.98449      8.186045 
1 1 1 -17 11 15 o 101.6412 3.016340  10.54784       6.032679 
1 1 1 -17 11 16 o 34.50158 5.848949  0.6323929      11.69790 
1 1 1 -17 11 17 o 59.51654 3.918041  -0.8596458     7.836083 
1 1 1 -17 11 18 o 65.83647 3.923790  3.788227       7.847579 
1 1 1 -17 11 19 o 67.46466 4.233702  -14.17854      8.467403 
1 1 1 -17 11 20 o 54.02213 4.435080  8.235203       8.870160 
1 1 1 -17 11 21 o 50.60382 5.459739  -7.754814      10.91948 
1 1 1 -17 11 22 o 35.14154 5.446487  0.9141846      10.89297 
1 1 1 -17 11 23 o 26.55906 6.311649  3.781649       12.62330 
1 1 1 -17 11 24 f 24.59669 4.739673  -18.50473      9.479346 
1 1 1 -17 11 25 o 19.62990 4.592645  -9.230483      9.185289 
1 1 1 -17 11 26 o 25.79745 4.892993  -1.743618      9.785987 
1 1 1 -17 11 27 o 60.19667 2.962960  -10.33772      5.925919 
1 1 1 -17 11 28 o 27.77000 4.535057  5.512077       9.070113 
1 1 1 -17 11 29 o 14.89288 4.483457  2.358848       8.966913 
1 1 1 -17 11 30 o 22.21857 5.560406  -16.13117      11.12081 
1 1 1 -17 11 31 o 23.24704 5.664698  -11.97751      11.32940 
1 1 1 -17 11 32 x ?        ?         ?              ?        
1 1 1 -17 12 1  o 103.2006 5.017048  ?              ?        
1 1 1 -17 12 2  o 90.49707 3.254811  2.026558       6.509623 
1 1 1 -17 12 3  o 75.98438 3.055784  10.06239       6.111568 
1 1 1 -17 12 4  f 93.99065 3.281109  ?              ?        
1 1 1 -17 12 5  o 94.37563 2.961997  5.960571       5.923994 
1 1 1 -17 12 6  o 109.0971 2.962432  6.222542       5.924864 
1 1 1 -17 12 7  o 53.22699 3.623230  7.520718       7.246460 
1 1 1 -17 12 8  f 136.2741 3.012259  -3.923218      6.024518 
1 1 1 -17 12 9  o 80.07249 3.050885  -5.151199      6.101771 
1 1 1 -17 12 10 o 29.63437 4.960283  -16.09347      9.920567 
1 1 1 -17 12 11 o 96.76662 3.457606  -5.395828      6.915211 
1 1 1 -17 12 12 o 93.88110 3.491204  -9.249550      6.982407 
1 1 1 -17 12 13 f 73.73177 3.457544  1.280312       6.915087 
1 1 1 -17 12 14 o 67.42177 3.591522  -4.747398      7.183043 
1 1 1 -17 12 15 o 25.18320 6.592801  15.34442       13.18560 
1 1 1 -17 12 16 o 56.38383 4.050518  4.468388       8.101035 
1 1 1 -17 12 17 o 52.57302 4.222805  1.245209       8.445610 
1 1 1 -17 12 18 o 35.57446 5.769742  -1.828648      11.53948 
1 1 1 -17 12 19 o 17.81715 5.551072  1.459291       11.10214 
1 1 1 -17 12 20 o 35.43901 6.214076  -5.138592      12.42815 
1 1 1 -17 12 21 o 70.89640 4.192764  1.460251       8.385529 
1 1 1 -17 12 22 o 105.0476 3.642145  -7.978004      7.284290 
1 1 1 -17 12 23 o 50.26450 3.964364  -12.02351      7.928729 
1 1 1 -17 12 24 o 43.46202 6.537018  ?              ?        
1 1 1 -17 12 25 o 40.72291 3.796337  -8.171528      7.592673 
1 1 1 -17 12 26 o 33.96494 4.129360  -2.656628      8.258720 
1 1 1 -17 12 27 o 17.68518 4.555991  -7.142477      9.111982 
1 1 1 -17 12 28 o 22.67809 4.675870  -3.290283      9.351741 
1 1 1 -17 12 29 o 17.68267 5.195549  -3.477345      10.39110 
1 1 1 -17 12 30 o 24.35085 5.983217  -11.30670      11.96643 
1 1 1 -17 12 31 x ?        ?         ?              ?        
1 1 1 -17 12 32 x ?        ?         ?              ?        
1 1 1 -17 13 1  o 57.29164 3.506379  8.061970       7.012759 
1 1 1 -17 13 2  o 52.66178 4.191063  ?              ?        
1 1 1 -17 13 3  o 110.7869 3.119490  0.7068939      6.238980 
1 1 1 -17 13 4  o 44.85382 4.424714  -12.46127      8.849427 
1 1 1 -17 13 5  o 92.89104 3.131408  -0.4490662     6.262817 
1 1 1 -17 13 6  o 33.21358 5.238615  6.148966       10.47723 
1 1 1 -17 13 7  o 90.49150 3.124011  18.51821       6.248022 
1 1 1 -17 13 8  o 43.55593 4.303959  0.8305969      8.607919 
1 1 1 -17 13 9  o 38.42757 5.168536  -17.53911      10.33707 
1 1 1 -17 13 10 o 73.11871 3.404372  0.9072495      6.808744 
1 1 1 -17 13 11 o 77.48610 5.880308  ?              ?        
1 1 1 -17 13 12 o 130.0960 3.202047  3.869598       6.404093 
1 1 1 -17 13 13 o 62.79054 5.155323  ?              ?        
1 1 1 -17 13 14 o 148.7637 3.265719  6.145905       6.531437 
1 1 1 -17 13 15 o 103.6344 3.271438  -4.542747      6.542877 
1 1 1 -17 13 16 o 70.28952 3.830182  8.548363       7.660365 
1 1 1 -17 13 17 o 49.98938 5.062228  -9.458363      10.12446 
1 1 1 -17 13 18 o 39.23643 6.017883  14.78544       12.03577 
1 1 1 -17 13 19 o 71.16486 4.216204  9.165016       8.432408 
1 1 1 -17 13 20 o 44.90962 5.786379  -7.544689      11.57276 
1 1 1 -17 13 21 o 78.47466 3.997088  0.3820877      7.994177 
1 1 1 -17 13 22 o 35.56588 6.128443  8.467197       12.25689 
1 1 1 -17 13 23 o 62.96795 3.553200  -11.81512      7.106400 
1 1 1 -17 13 24 o 24.18353 5.182977  -6.826962      10.36595 
1 1 1 -17 13 25 o 24.38392 4.142015  -16.76249      8.284029 
1 1 1 -17 13 26 o 41.71494 3.769191  -11.80169      7.538382 
1 1 1 -17 13 27 o 14.42479 4.289934  4.567886       8.579868 
1 1 1 -17 13 28 o 34.47871 4.437267  -24.05986      8.874534 
1 1 1 -17 13 29 o 62.03998 3.863323  -41.76679      7.726646 
1 1 1 -17 13 30 x ?        ?         ?              ?        
1 1 1 -17 13 31 x ?        ?         ?              ?        
1 1 1 -17 14 1  o 109.3490 3.198814  5.292809       6.397627 
1 1 1 -17 14 2  o 70.58771 3.505953  1.542534       7.011905 
1 1 1 -17 14 3  o 83.17010 3.251083  -5.185631      6.502165 
1 1 1 -17 14 4  o 60.59894 3.566021  8.056934       7.132041 
1 1 1 -17 14 5  o 91.09446 3.212691  7.212296       6.425382 
1 1 1 -17 14 6  o 87.39271 3.276906  3.919495       6.553811 
1 1 1 -17 14 7  o 27.35136 5.610568  -6.389584      11.22114 
1 1 1 -17 14 8  o 46.09917 4.452889  12.56123       8.905779 
1 1 1 -17 14 9  o 29.99305 5.869244  8.342810       11.73849 
1 1 1 -17 14 10 o 69.41167 3.642082  0.8586502      7.284163 
1 1 1 -17 14 11 o 18.07214 5.583487  1.686497       11.16697 
1 1 1 -17 14 12 o 36.01929 5.998095  ?              ?        
1 1 1 -17 14 13 o 103.6609 3.490377  -2.667442      6.980754 
1 1 1 -17 14 14 o 53.72140 4.382354  8.373966       8.764709 
1 1 1 -17 14 15 o 88.55618 3.673149  -3.361839      7.346297 
1 1 1 -17 14 16 o 85.03764 3.754350  -7.744308      7.508701 
1 1 1 -17 14 17 o 32.84058 6.034849  -4.673677      12.06970 
1 1 1 -17 14 18 o 79.96084 4.237049  7.726013       8.474098 
1 1 1 -17 14 19 o 52.99932 5.760655  -19.80497      11.52131 
1 1 1 -17 14 20 o 17.70399 5.526477  -0.9289608     11.05295 
1 1 1 -17 14 21 x ?        ?         ?              ?        
1 1 1 -17 14 22 o 34.74170 5.872520  -11.81952      11.74504 
1 1 1 -17 14 23 o 18.30761 5.190114  6.750772       10.38023 
1 1 1 -17 14 24 o 23.77885 5.373075  3.240717       10.74615 
1 1 1 -17 14 25 o 33.74713 4.310970  -4.527660      8.621941 
1 1 1 -17 14 26 o 33.75430 3.935755  8.411480       7.871511 
1 1 1 -17 14 27 o 17.66533 5.049494  2.030146       10.09899 
1 1 1 -17 14 28 o 39.71790 4.854686  -9.479160      9.709372 
1 1 1 -17 14 29 x ?        ?         ?              ?        
1 1 1 -17 14 30 x ?        ?         ?              ?        
1 1 1 -17 15 1  o 140.9961 3.319927  9.104767       6.639853 
1 1 1 -17 15 2  o 116.0594 3.274863  9.247780       6.549726 
1 1 1 -17 15 3  o 76.41303 3.568257  0.1416016      7.136515 
1 1 1 -17 15 4  o 71.01201 3.646378  -1.596062      7.292757 
1 1 1 -17 15 5  o 66.88533 3.765477  -1.752327      7.530953 
1 1 1 -17 15 6  o 113.6957 3.296644  13.43866       6.593288 
1 1 1 -17 15 7  o 35.56683 5.614446  3.683105       11.22889 
1 1 1 -17 15 8  o 134.1111 3.897023  -0.2471161     7.794045 
1 1 1 -17 15 9  o 48.33808 5.476267  -16.57855      10.95253 
1 1 1 -17 15 10 o 72.65604 4.033940  ?              ?        
1 1 1 -17 15 11 o 96.84431 3.428530  -1.879364      6.857061 
1 1 1 -17 15 12 o 23.00645 6.227304  3.866360       12.45461 
1 1 1 -17 15 13 o 26.71206 6.295291  20.47043       12.59058 
1 1 1 -17 15 14 f 51.97445 4.730629  -1.785095      9.461259 
1 1 1 -17 15 15 o 60.61290 4.713056  -6.705635      9.426112 
1 1 1 -17 15 16 o 54.16456 4.766480  1.709690       9.532960 
1 1 1 -17 15 17 o 55.69940 4.665523  7.571316       9.331045 
1 1 1 -17 15 18 o 25.33001 6.724004  2.744596       13.44801 
1 1 1 -17 15 19 o 17.20778 5.517349  -0.1549149E-01 11.03470 
1 1 1 -17 15 20 x ?        ?         ?              ?        
1 1 1 -17 15 21 o 42.29523 5.445076  -19.07423      10.89015 
1 1 1 -17 15 22 o 55.80383 4.318269  -5.419998      8.636539 
1 1 1 -17 15 23 o 24.06159 4.860088  -17.21852      9.720177 
1 1 1 -17 15 24 o 45.49577 4.331227  -2.859734      8.662454 
1 1 1 -17 15 25 o 17.28007 4.860319  0.7975426      9.720637 
1 1 1 -17 15 26 o 14.00804 4.191821  9.074324       8.383642 
1 1 1 -17 15 27 o 32.93645 5.421613  -1.756142      10.84323 
1 1 1 -17 15 28 x ?        ?         ?              ?        
1 1 1 -17 15 29 x ?        ?         ?              ?        
1 1 1 -17 16 1  f 103.9924 3.287038  -6.079163      6.574075 
1 1 1 -17 16 2  o 68.93307 3.813650  0.4346848      7.627300 
1 1 1 -17 16 3  o 19.86994 5.801586  8.555691       11.60317 
1 1 1 -17 16 4  o 50.96264 4.628796  -4.965870      9.257591 
1 1 1 -17 16 5  o 33.65434 5.703872  -9.968225      11.40774 
1 1 1 -17 16 6  o 19.55166 8.696072  ?              ?        
1 1 1 -17 16 7  o 123.0912 3.420318  -6.656433      6.840637 
1 1 1 -17 16 8  o 53.39150 4.833718  ?              ?        
1 1 1 -17 16 9  f 25.85680 5.179169  -19.95842      10.35834 
1 1 1 -17 16 10 f 64.03109 4.136456  0.5751076      8.272913 
1 1 1 -17 16 11 o 35.47520 6.273423  6.226501       12.54685 
1 1 1 -17 16 12 o 17.76353 8.101991  ?              ?        
1 1 1 -17 16 13 o 18.89421 5.590279  -4.340181      11.18056 
1 1 1 -17 16 14 o 43.78769 6.718882  6.847759       13.43776 
1 1 1 -17 16 15 o 79.32184 3.891841  3.241905       7.783681 
1 1 1 -17 16 16 o 35.09700 6.129604  12.54452       12.25921 
1 1 1 -17 16 17 o 52.80308 5.486306  -8.581287      10.97261 
1 1 1 -17 16 18 o 81.52029 3.800589  4.356964       7.601177 
1 1 1 -17 16 19 f 22.79206 8.630817  ?              ?        
1 1 1 -17 16 20 o 66.76968 4.159062  1.531456       8.318125 
1 1 1 -17 16 21 o 97.06614 3.754952  -8.455826      7.509905 
1 1 1 -17 16 22 o 23.45466 5.966699  -6.213053      11.93340 
1 1 1 -17 16 23 o 60.90382 3.942011  -13.75376      7.884021 
1 1 1 -17 16 24 o 27.41289 5.187418  -17.36995      10.37484 
1 1 1 -17 16 25 o 24.44670 5.754672  -4.371002      11.50934 
1 1 1 -17 16 26 o 15.74595 4.857638  1.261703       9.715276 
1 1 1 -17 16 27 x ?        ?         ?              ?        
1 1 1 -17 16 28 x ?        ?         ?              ?        
1 1 1 -17 16 29 x ?        ?         ?              ?        
1 1 1 -17 17 1  o 63.08130 4.300995  -8.975700      8.601990 
1 1 1 -17 17 2  o 54.06912 7.485120  ?              ?        
1 1 1 -17 17 3  o 62.18090 7.270558  ?              ?        
1 1 1 -17 17 4  o 59.58880 7.054743  ?              ?        
1 1 1 -17 17 5  o 30.43574 6.220226  -6.701092      12.44045 
1 1 1 -17 17 6  o 77.10343 4.429736  ?              ?        
1 1 1 -17 17 7  o 45.48428 5.015176  5.938755       10.03035 
1 1 1 -17 17 8  o 87.09952 3.715904  -2.740242      7.431809 
1 1 1 -17 17 9  o 63.38639 4.215808  7.150078       8.431616 
1 1 1 -17 17 10 o 74.47312 3.905082  -2.991638      7.810165 
1 1 1 -17 17 11 o 28.30823 6.311046  -2.174885      12.62209 
1 1 1 -17 17 12 o 47.11283 5.543252  -14.85867      11.08650 
1 1 1 -17 17 13 o 77.90599 4.105532  -8.216057      8.211064 
1 1 1 -17 17 14 o 71.64313 6.412704  ?              ?        
1 1 1 -17 17 15 o 33.21235 6.892084  -11.01409      13.78417 
1 1 1 -17 17 16 o 40.73910 5.952439  -3.669788      11.90488 
1 1 1 -17 17 17 o 51.11987 6.702359  ?              ?        
1 1 1 -17 17 18 f 24.43049 6.191832  1.105198       12.38366 
1 1 1 -17 17 19 o 32.66069 5.762403  -17.14370      11.52481 
1 1 1 -17 17 20 o 23.67594 5.622072  18.06724       11.24414 
1 1 1 -17 17 21 o 22.09448 5.753818  11.34657       11.50764 
1 1 1 -17 17 22 o 34.36034 5.355469  -11.34993      10.71094 
1 1 1 -17 17 23 o 14.39415 4.659175  -3.669329      9.318350 
1 1 1 -17 17 24 o 19.14115 5.325183  -2.095886      10.65037 
1 1 1 -17 17 25 o 13.87760 4.512772  -2.736306      9.025544 
1 1 1 -17 17 26 x ?        ?         ?              ?        
1 1 1 -17 17 27 x ?        ?         ?              ?        
1 1 1 -17 17 28 x ?        ?         ?              ?        
1 1 1 -17 18 1  o 54.90507 6.375832  8.324669       12.75166 
1 1 1 -17 18 2  o 99.59045 3.612879  -11.66113      7.225757 
1 1 1 -17 18 3  o 57.60628 4.653964  5.574684       9.307927 
1 1 1 -17 18 4  o 76.03569 4.584660  ?              ?        
1 1 1 -17 18 5  o 123.5566 3.550815  0.6830139      7.101629 
1 1 1 -17 18 6  o 34.08998 6.536661  -0.4508400     13.07332 
1 1 1 -17 18 7  o 21.85378 6.069839  -4.245649      12.13968 
1 1 1 -17 18 8  o 16.52678 5.379344  -0.3650532     10.75869 
1 1 1 -17 18 9  o 66.94933 4.201419  4.109268       8.402839 
1 1 1 -17 18 10 o 58.14738 4.425478  -2.072716      8.850957 
1 1 1 -17 18 11 o 28.39677 5.204855  -21.50075      10.40971 
1 1 1 -17 18 12 o 28.63235 6.232810  -5.059666      12.46562 
1 1 1 -17 18 13 o 23.59000 6.728721  -3.835997      13.45744 
1 1 1 -17 18 14 o 85.09194 4.043146  ?              ?        
1 1 1 -17 18 15 o 38.01460 6.895368  2.456352       13.79074 
1 1 1 -17 18 16 o 23.69383 7.808764  ?              ?        
1 1 1 -17 18 17 o 70.83412 3.899077  -4.102577      7.798154 
1 1 1 -17 18 18 o 14.82144 4.727933  6.937321       9.455866 
1 1 1 -17 18 19 o 25.39242 5.511177  -16.40102      11.02235 
1 1 1 -17 18 20 o 27.30182 5.992442  -2.239651      11.98488 
1 1 1 -17 18 21 o 22.62276 5.420748  -7.733587      10.84150 
1 1 1 -17 18 22 o 12.08688 4.087841  -0.5647640     8.175681 
1 1 1 -17 18 23 o 12.13988 4.110049  -1.803588      8.220098 
1 1 1 -17 18 24 o 21.58156 7.966865  ?              ?        
1 1 1 -17 18 25 x ?        ?         ?              ?        
1 1 1 -17 18 26 x ?        ?         ?              ?        
1 1 1 -17 19 1  o 26.83270 8.077355  ?              ?        
1 1 1 -17 19 2  o 39.32007 5.654304  9.361771       11.30861 
1 1 1 -17 19 3  o 49.37495 5.080929  -3.185360      10.16186 
1 1 1 -17 19 4  o 121.2882 3.571395  -6.733742      7.142789 
1 1 1 -17 19 5  o 17.91142 5.445845  -1.582916      10.89169 
1 1 1 -17 19 6  o 31.79976 6.321556  4.834343       12.64311 
1 1 1 -17 19 7  o 72.17627 3.921683  1.930168       7.843367 
1 1 1 -17 19 8  o 64.34926 4.267631  8.491207       8.535261 
1 1 1 -17 19 9  o 43.05700 5.775326  -17.57355      11.55065 
1 1 1 -17 19 10 o 69.62990 4.124064  0.3406754      8.248129 
1 1 1 -17 19 11 o 22.28217 6.464260  7.301146       12.92852 
1 1 1 -17 19 12 o 30.63551 6.073527  -20.59954      12.14705 
1 1 1 -17 19 13 o 27.17607 6.571260  5.266031       13.14252 
1 1 1 -17 19 14 o 34.85614 7.038169  ?              ?        
1 1 1 -17 19 15 o 18.55263 5.375977  4.917057       10.75195 
1 1 1 -17 19 16 o 20.17204 5.251201  16.15247       10.50240 
1 1 1 -17 19 17 o 45.69991 4.528012  -9.182747      9.056025 
1 1 1 -17 19 18 f 36.37803 4.771615  -8.798466      9.543229 
1 1 1 -17 19 19 o 13.97800 4.583963  -4.893322      9.167926 
1 1 1 -17 19 20 o 18.31146 5.241360  2.387611       10.48272 
1 1 1 -17 19 21 o 17.03860 4.952738  2.099382       9.905476 
1 1 1 -17 19 22 o 17.63906 5.068588  -9.270345      10.13718 
1 1 1 -17 19 23 x ?        ?         ?              ?        
1 1 1 -17 19 24 x ?        ?         ?              ?        
1 1 1 -17 19 25 x ?        ?         ?              ?        
1 1 1 -17 20 1  o 59.06766 3.887584  -6.608147      7.775169 
1 1 1 -17 20 2  o 80.82671 3.445462  6.458862       6.890924 
1 1 1 -17 20 3  o 22.19558 5.859005  8.553347       11.71801 
1 1 1 -17 20 4  o 42.32029 5.025839  -11.23462      10.05168 
1 1 1 -17 20 5  o 50.55146 4.452371  1.149765       8.904742 
1 1 1 -17 20 6  o 18.38635 5.537923  3.159821       11.07585 
1 1 1 -17 20 7  o 28.39249 6.011715  11.92542       12.02343 
1 1 1 -17 20 8  o 73.48567 3.858808  2.749977       7.717616 
1 1 1 -17 20 9  f 65.41069 4.732485  2.380219       9.464971 
1 1 1 -17 20 10 o 22.97593 5.641401  -15.31808      11.28280 
1 1 1 -17 20 11 o 24.39795 5.811502  -3.438978      11.62300 
1 1 1 -17 20 12 o 13.13053 6.044386  ?              ?        
1 1 1 -17 20 13 o 36.09465 5.186018  -0.7008820     10.37204 
1 1 1 -17 20 14 o 13.32264 6.432043  ?              ?        
1 1 1 -17 20 15 o 15.78439 4.781517  -3.035323      9.563033 
1 1 1 -17 20 16 o 15.00052 4.697714  4.713502       9.395429 
1 1 1 -17 20 17 o 27.02623 4.439594  -16.92658      8.879188 
1 1 1 -17 20 18 o 31.12701 4.796145  -13.92855      9.592291 
1 1 1 -17 20 19 o 18.29722 5.189201  -5.313828      10.37840 
1 1 1 -17 20 20 o 17.21527 4.970408  -9.575775      9.940816 
1 1 1 -17 20 21 x ?        ?         ?              ?        
1 1 1 -17 20 22 x ?        ?         ?              ?        
1 1 1 -17 20 23 x ?        ?         ?              ?        
1 1 1 -17 20 24 x ?        ?         ?              ?        
1 1 1 -17 21 1  o 16.52223 5.044564  -1.856754      10.08913 
1 1 1 -17 21 2  o 29.68401 5.327279  -5.879274      10.65456 
1 1 1 -17 21 3  o 77.82265 3.516996  5.753708       7.033991 
1 1 1 -17 21 4  o 31.84514 5.451759  -0.7208138     10.90352 
1 1 1 -17 21 5  o 16.60230 4.831523  -4.987193      9.663046 
1 1 1 -17 21 6  o 22.94218 8.573282  ?              ?        
1 1 1 -17 21 7  o 67.23000 4.113194  -5.553703      8.226389 
1 1 1 -17 21 8  o 15.20554 4.797191  3.908856       9.594382 
1 1 1 -17 21 9  o 47.52503 4.853299  ?              ?        
1 1 1 -17 21 10 o 21.05525 5.109929  14.77558       10.21986 
1 1 1 -17 21 11 o 19.37245 5.151196  -3.924707      10.30239 
1 1 1 -17 21 12 o 18.62946 5.035415  -5.032751      10.07083 
1 1 1 -17 21 13 o 30.55665 5.027897  -14.16848      10.05579 
1 1 1 -17 21 14 o 24.10103 5.552511  2.700045       11.10502 
1 1 1 -17 21 15 o 17.74838 5.017439  3.689460       10.03488 
1 1 1 -17 21 16 o 23.81838 5.042576  -0.3428383     10.08515 
1 1 1 -17 21 17 o 20.53311 5.245920  11.27820       10.49184 
1 1 1 -17 21 18 o 24.39877 5.610885  2.590773       11.22177 
1 1 1 -17 21 19 o 22.05390 7.311729  ?              ?        
1 1 1 -17 21 20 x ?        ?         ?              ?        
1 1 1 -17 21 21 x ?        ?         ?              ?        
1 1 1 -17 21 22 x ?        ?         ?              ?        
1 1 1 -17 22 1  o 50.75028 4.091461  2.037422       8.182921 
1 1 1 -17 22 2  o 30.44632 5.575968  4.302010       11.15194 
1 1 1 -17 22 3  o 31.03639 7.660671  ?              ?        
1 1 1 -17 22 4  o 18.43803 4.717865  -9.059679      9.435729 
1 1 1 -17 22 5  o 25.44505 5.287273  9.984785       10.57455 
1 1 1 -17 22 6  o 20.69011 6.716621  ?              ?        
1 1 1 -17 22 7  o 21.09588 6.915751  ?              ?        
1 1 1 -17 22 8  o 26.18496 5.166521  -8.336042      10.33304 
1 1 1 -17 22 9  o 14.09744 4.418344  9.529413       8.836689 
1 1 1 -17 22 10 o 15.10272 4.677719  6.338601       9.355437 
1 1 1 -17 22 11 o 18.50201 5.145915  -0.5740051     10.29183 
1 1 1 -17 22 12 o 32.77691 5.117675  5.280464       10.23535 
1 1 1 -17 22 13 o 21.58645 5.138028  -2.646149      10.27606 
1 1 1 -17 22 14 o 12.31983 3.953532  1.873853       7.907065 
1 1 1 -17 22 15 o 15.23328 4.833521  -3.598744      9.667042 
1 1 1 -17 22 16 o 16.18684 4.513420  7.774700       9.026839 
1 1 1 -17 22 17 o 24.29887 7.035327  ?              ?        
1 1 1 -17 22 18 x ?        ?         ?              ?        
1 1 1 -17 22 19 x ?        ?         ?              ?        
1 1 1 -17 22 20 x ?        ?         ?              ?        
1 1 1 -17 23 1  o 12.24870 4.058815  -0.7304440     8.117630 
1 1 1 -17 23 2  o 9.050997 3.189552  1.401177       6.379105 
1 1 1 -17 23 3  o 20.24265 6.398948  ?              ?        
1 1 1 -17 23 4  o 28.39698 4.821916  -6.001081      9.643832 
1 1 1 -17 23 5  o 14.86862 4.461683  -1.504951      8.923367 
1 1 1 -17 23 6  o 26.69292 4.505148  -12.90716      9.010296 
1 1 1 -17 23 7  o 14.91603 4.502191  2.874259       9.004381 
1 1 1 -17 23 8  o 14.99795 4.245130  -6.415540      8.490260 
1 1 1 -17 23 9  o 15.14543 4.494743  7.701739       8.989486 
1 1 1 -17 23 10 o 16.93729 4.670037  1.766609       9.340075 
1 1 1 -17 23 11 f 14.36924 4.332605  2.854139       8.665211 
1 1 1 -17 23 12 o 11.75965 3.818150  1.560402       7.636300 
1 1 1 -17 23 13 o 28.94546 5.607556  3.351107       11.21511 
1 1 1 -17 23 14 o 13.11858 5.881809  ?              ?        
1 1 1 -17 23 15 x ?        ?         ?              ?        
1 1 1 -17 23 16 x ?        ?         ?              ?        
1 1 1 -17 23 17 x ?        ?         ?              ?        
1 1 1 -17 23 18 x ?        ?         ?              ?        
1 1 1 -17 24 1  o 11.58592 3.817503  2.151612       7.635006 
1 1 1 -17 24 2  o 20.69836 4.891538  -7.747324      9.783076 
1 1 1 -17 24 3  o 16.42646 4.427088  -5.911739      8.854176 
1 1 1 -17 24 4  o 18.95347 4.624816  -3.910572      9.249632 
1 1 1 -17 24 5  o 21.80480 4.284437  18.98019       8.568874 
1 1 1 -17 24 6  o 16.88470 4.060347  -9.896901      8.120694 
1 1 1 -17 24 7  o 20.97091 4.764169  -0.5412807     9.528338 
1 1 1 -17 24 8  o 29.38525 4.246478  1.238884       8.492955 
1 1 1 -17 24 9  o 17.93730 4.760924  4.552269       9.521849 
1 1 1 -17 24 10 o 21.62895 5.505766  -6.280262      11.01153 
1 1 1 -17 24 11 o 15.58049 6.559161  ?              ?        
1 1 1 -17 24 12 o 10.23391 4.993323  ?              ?        
1 1 1 -17 24 13 x ?        ?         ?              ?        
1 1 1 -17 24 14 x ?        ?         ?              ?        
1 1 1 -17 24 15 x ?        ?         ?              ?        
1 1 1 -17 24 16 x ?        ?         ?              ?        
1 1 1 -17 25 1  o 14.91851 6.210616  ?              ?        
1 1 1 -17 25 2  o 15.64331 4.474618  -2.263460      8.949236 
1 1 1 -17 25 3  o 21.01772 4.585531  -9.883003      9.171062 
1 1 1 -17 25 4  f 12.31747 3.883909  -1.008658      7.767817 
1 1 1 -17 25 5  o 11.70011 3.812489  4.397839       7.624978 
1 1 1 -17 25 6  o 19.56684 4.667368  -3.398464      9.334736 
1 1 1 -17 25 7  o 13.08444 5.900354  ?              ?        
1 1 1 -17 25 8  o 13.89234 6.090939  ?              ?        
1 1 1 -17 25 9  o 16.59845 6.597032  ?              ?        
1 1 1 -17 25 10 x ?        ?         ?              ?        
1 1 1 -17 25 11 x ?        ?         ?              ?        
1 1 1 -17 25 12 x ?        ?         ?              ?        
1 1 1 -16 0  1  f 59.02968 2.372775  -0.000000      0.000000 
1 1 1 -16 0  2  o 312.2440 4.331894  0.000000       0.000000 
1 1 1 -16 0  3  o 137.4932 2.392549  -0.000000      0.000000 
1 1 1 -16 0  4  o 170.1396 2.686139  -0.000000      0.000000 
1 1 1 -16 0  5  o 291.6302 5.761961  0.000000       0.000000 
1 1 1 -16 0  6  f 39.07053 3.157618  -0.000000      0.000000 
1 1 1 -16 0  7  o 83.33034 2.169099  -0.000000      0.000000 
1 1 1 -16 0  8  o 13.90791 6.761584  0.000000       0.000000 
1 1 1 -16 0  9  o 187.5928 2.895649  -0.000000      0.000000 
1 1 1 -16 0  10 o 10.90561 6.180693  -0.000000      0.000000 
1 1 1 -16 0  11 o 52.15091 2.545932  -0.000000      0.000000 
1 1 1 -16 0  12 f 11.15397 7.076878  -0.000000      0.000000 
1 1 1 -16 0  13 o 172.2049 2.782720  -0.000000      0.000000 
1 1 1 -16 0  14 o 79.43462 2.929754  0.000000       0.000000 
1 1 1 -16 0  15 o 58.72919 2.426693  0.000000       0.000000 
1 1 1 -16 0  16 o 97.55345 2.279095  0.000000       0.000000 
1 1 1 -16 0  17 o 90.38070 2.300482  0.000000       0.000000 
1 1 1 -16 0  18 o 20.45850 5.855933  0.000000       0.000000 
1 1 1 -16 0  19 o 29.51398 3.835458  -0.000000      0.000000 
1 1 1 -16 0  20 f 11.05537 7.193746  -0.000000      0.000000 
1 1 1 -16 0  21 o 77.50584 2.570873  0.000000       0.000000 
1 1 1 -16 0  22 o 50.84500 3.175928  0.000000       0.000000 
1 1 1 -16 0  23 o 7.701148 5.256268  -0.000000      0.000000 
1 1 1 -16 0  24 o 57.49919 3.097270  -0.000000      0.000000 
1 1 1 -16 0  25 o 39.78757 4.206961  0.000000       0.000000 
1 1 1 -16 0  26 o 15.41045 7.929012  0.000000       0.000000 
1 1 1 -16 0  27 o 10.96203 6.963195  -0.000000      0.000000 
1 1 1 -16 0  28 o 23.92528 10.85525  -0.000000      0.000000 
1 1 1 -16 0  29 o 10.09426 7.119784  0.000000       0.000000 
1 1 1 -16 0  30 o 17.77438 8.919767  -0.000000      0.000000 
1 1 1 -16 0  31 f 18.74368 7.746099  -0.000000      0.000000 
1 1 1 -16 0  32 o 15.84989 8.052449  -0.000000      0.000000 
1 1 1 -16 0  33 o 9.027784 6.108893  -0.000000      0.000000 
1 1 1 -16 0  34 o 45.34248 4.655268  0.000000       0.000000 
1 1 1 -16 0  35 o 25.27479 9.980695  -0.000000      0.000000 
1 1 1 -16 0  36 x ?        ?         ?              ?        
1 1 1 -16 1  1  o 161.5801 1.841104  -0.5568085     3.682208 
1 1 1 -16 1  2  o 75.96967 2.007158  -1.442192      4.014317 
1 1 1 -16 1  3  o 147.7242 1.762356  -5.286652      3.524713 
1 1 1 -16 1  4  o 267.5886 2.684780  2.298584       5.369560 
1 1 1 -16 1  5  o 123.7770 2.082789  4.677055       4.165577 
1 1 1 -16 1  6  o 166.7260 1.881042  -0.7946472     3.762084 
1 1 1 -16 1  7  o 21.06446 3.577804  11.63059       7.155608 
1 1 1 -16 1  8  o 207.4632 2.198818  11.83746       4.397635 
1 1 1 -16 1  9  o 87.49905 1.573282  2.101372       3.146565 
1 1 1 -16 1  10 o 154.4378 1.828695  -1.282852      3.657391 
1 1 1 -16 1  11 o 144.0135 1.773273  1.090057       3.546547 
1 1 1 -16 1  12 o 207.1644 3.197758  -10.22075      6.395517 
1 1 1 -16 1  13 o 77.05541 1.592662  -3.165970      3.185324 
1 1 1 -16 1  14 o 47.19239 2.293922  3.402134       4.587844 
1 1 1 -16 1  15 o 80.41554 1.596136  0.7331619      3.192271 
1 1 1 -16 1  16 o 28.19915 2.693006  -4.429029      5.386012 
1 1 1 -16 1  17 o 126.7704 1.739329  0.1412048      3.478658 
1 1 1 -16 1  18 o 77.38788 1.664637  2.662224       3.329273 
1 1 1 -16 1  19 o 94.74376 1.683113  -0.6395645     3.366226 
1 1 1 -16 1  20 o 51.30057 3.305661  6.458248       6.611322 
1 1 1 -16 1  21 o 46.08256 2.225328  3.431103       4.450655 
1 1 1 -16 1  22 o 24.63631 4.372797  -3.119061      8.745595 
1 1 1 -16 1  23 o 105.4853 1.874974  2.379669       3.749949 
1 1 1 -16 1  24 o 47.52422 2.421675  -0.7914886     4.843351 
1 1 1 -16 1  25 o 20.27652 6.455051  ?              ?        
1 1 1 -16 1  26 o 68.85400 2.245874  -0.3986511     4.491749 
1 1 1 -16 1  27 o 42.11244 3.127221  -8.488926      6.254443 
1 1 1 -16 1  28 o 39.49483 5.350144  9.529545       10.70029 
1 1 1 -16 1  29 o 63.85354 3.613746  -4.008865      7.227492 
1 1 1 -16 1  30 o 24.03543 5.148719  -3.336519      10.29744 
1 1 1 -16 1  31 o 53.18398 2.649338  -6.515106      5.298676 
1 1 1 -16 1  32 o 41.50148 3.313679  -5.961147      6.627358 
1 1 1 -16 1  33 o 18.03502 4.645321  -9.898826      9.290642 
1 1 1 -16 1  34 o 31.92235 6.040388  ?              ?        
1 1 1 -16 1  35 o 13.28766 4.420039  -0.9655828     8.840077 
1 1 1 -16 1  36 x ?        ?         ?              ?        
1 1 1 -16 2  1  o 84.91967 2.682450  ?              ?        
1 1 1 -16 2  2  o 91.81774 2.197015  -5.378693      4.394030 
1 1 1 -16 2  3  o 125.1763 1.654660  -0.7968750     3.309319 
1 1 1 -16 2  4  o 54.91277 2.015204  5.385399       4.030408 
1 1 1 -16 2  5  o 60.47394 1.825741  -0.7661591     3.651481 
1 1 1 -16 2  6  o 147.8474 1.789354  -3.467651      3.578707 
1 1 1 -16 2  7  o 103.9159 1.630509  -6.081856      3.261018 
1 1 1 -16 2  8  o 245.8536 2.530867  -7.390823      5.061734 
1 1 1 -16 2  9  f 70.02484 1.714874  -4.555702      3.429748 
1 1 1 -16 2  10 o 42.17714 2.193542  5.782196       4.387084 
1 1 1 -16 2  11 o 80.14605 1.714944  4.518265       3.429889 
1 1 1 -16 2  12 o 117.8741 2.001166  -1.971825      4.002332 
1 1 1 -16 2  13 o 243.0326 2.527430  -8.066528      5.054860 
1 1 1 -16 2  14 o 178.4964 2.807378  -11.73763      5.614757 
1 1 1 -16 2  15 o 44.47133 2.029261  2.517864       4.058522 
1 1 1 -16 2  16 o 133.6902 1.774630  -7.914215      3.549260 
1 1 1 -16 2  17 o 135.1848 1.808868  2.353256       3.617736 
1 1 1 -16 2  18 o 27.16514 3.187640  -7.863062      6.375281 
1 1 1 -16 2  19 o 67.95365 1.749983  6.241302       3.499965 
1 1 1 -16 2  20 o 48.76601 3.404564  -3.970154      6.809128 
1 1 1 -16 2  21 o 104.9324 1.827480  -1.561714      3.654961 
1 1 1 -16 2  22 f 87.13835 2.401704  -3.408760      4.803407 
1 1 1 -16 2  23 o 100.5489 1.875977  -8.435425      3.751953 
1 1 1 -16 2  24 o 15.30691 4.297164  0.3002739      8.594328 
1 1 1 -16 2  25 o 17.82553 4.336498  11.91144       8.672997 
1 1 1 -16 2  26 o 40.34320 3.273700  -10.11594      6.547400 
1 1 1 -16 2  27 o 17.47745 4.458693  -7.181033      8.917385 
1 1 1 -16 2  28 o 18.96729 5.650051  0.2325230      11.30010 
1 1 1 -16 2  29 o 62.43185 3.679145  -9.281338      7.358290 
1 1 1 -16 2  30 o 33.72619 4.656209  11.80565       9.312419 
1 1 1 -16 2  31 f 45.06355 2.997198  -8.007961      5.994397 
1 1 1 -16 2  32 o 34.23277 3.946938  -11.08250      7.893876 
1 1 1 -16 2  33 o 46.60789 3.174177  -14.40623      6.348354 
1 1 1 -16 2  34 o 22.85380 4.553968  -12.91788      9.107936 
1 1 1 -16 2  35 o 13.45107 4.456750  -4.085662      8.913500 
1 1 1 -16 3  1  o 119.7969 2.131237  -0.3765869     4.262475 
1 1 1 -16 3  2  o 152.4113 2.156703  10.71074       4.313406 
1 1 1 -16 3  3  o 61.65123 1.870380  -6.565060      3.740759 
1 1 1 -16 3  4  o 69.82417 2.606275  2.962128       5.212549 
1 1 1 -16 3  5  o 122.5574 1.727474  0.6057892      3.454949 
1 1 1 -16 3  6  f 182.6482 2.075918  6.713547       4.151836 
1 1 1 -16 3  7  o 259.8801 2.676661  2.510712       5.353321 
1 1 1 -16 3  8  o 148.6865 1.888225  5.288086       3.776449 
1 1 1 -16 3  9  o 106.5961 1.709461  -3.967010      3.418922 
1 1 1 -16 3  10 o 65.95229 2.115251  2.773453       4.230503 
1 1 1 -16 3  11 o 50.61497 3.222090  -10.45778      6.444180 
1 1 1 -16 3  12 o 145.1686 1.854146  -2.542358      3.708292 
1 1 1 -16 3  13 o 185.6650 2.449402  16.78996       4.898805 
1 1 1 -16 3  14 o 114.4315 2.002042  ?              ?        
1 1 1 -16 3  15 o 98.50410 1.695968  6.156754       3.391936 
1 1 1 -16 3  16 o 82.14548 1.712965  1.225800       3.425930 
1 1 1 -16 3  17 o 34.73369 2.772654  -8.391552      5.545308 
1 1 1 -16 3  18 o 21.22043 3.806059  -3.771494      7.612118 
1 1 1 -16 3  19 o 34.05416 3.179774  -12.83803      6.359549 
1 1 1 -16 3  20 o 130.0147 2.845633  -1.864685      5.691267 
1 1 1 -16 3  21 o 114.7690 1.915216  -3.084427      3.830431 
1 1 1 -16 3  22 o 121.3204 2.647872  -5.053780      5.295744 
1 1 1 -16 3  23 o 82.70441 1.966884  1.033257       3.933769 
1 1 1 -16 3  24 o 136.5235 2.074987  0.2221222      4.149975 
1 1 1 -16 3  25 o 37.35647 3.314849  8.846966       6.629699 
1 1 1 -16 3  26 o 29.62140 4.049136  -2.801353      8.098272 
1 1 1 -16 3  27 o 15.57347 4.515563  1.008919       9.031127 
1 1 1 -16 3  28 o 17.31503 5.370078  -0.5447941     10.74016 
1 1 1 -16 3  29 o 51.97534 4.078685  4.292336       8.157371 
1 1 1 -16 3  30 f 43.96559 3.449584  -1.924114      6.899168 
1 1 1 -16 3  31 o 43.28503 3.117746  0.8650475      6.235492 
1 1 1 -16 3  32 o 20.22498 4.412971  -11.61268      8.825943 
1 1 1 -16 3  33 o 17.78541 4.708013  -3.779832      9.416025 
1 1 1 -16 3  34 o 14.48024 4.377010  -5.000766      8.754021 
1 1 1 -16 3  35 o 21.43086 5.450557  9.550402       10.90111 
1 1 1 -16 4  1  o 160.4512 1.999379  -3.173294      3.998758 
1 1 1 -16 4  2  o 190.3478 2.188285  1.419907       4.376570 
1 1 1 -16 4  3  o 201.8246 2.700465  0.4976959      5.400929 
1 1 1 -16 4  4  o 127.0587 2.496417  6.119133       4.992834 
1 1 1 -16 4  5  o 170.1476 2.062498  4.680725       4.124995 
1 1 1 -16 4  6  o 85.67274 1.848729  -0.6064301     3.697457 
1 1 1 -16 4  7  o 91.27045 1.858065  2.537094       3.716130 
1 1 1 -16 4  8  o 22.11804 3.910804  -6.939478      7.821608 
1 1 1 -16 4  9  o 65.10665 2.006817  -2.922058      4.013634 
1 1 1 -16 4  10 o 97.88737 2.608009  9.951454       5.216018 
1 1 1 -16 4  11 o 38.22309 3.659451  6.010323       7.318902 
1 1 1 -16 4  12 o 60.98660 2.022496  -0.8393097E-01 4.044991 
1 1 1 -16 4  13 f 89.40745 2.525552  -5.173660      5.051103 
1 1 1 -16 4  14 o 124.7450 1.856851  6.644569       3.713701 
1 1 1 -16 4  15 o 46.76189 2.266053  -1.350571      4.532105 
1 1 1 -16 4  16 o 40.28423 2.459168  0.8131676      4.918335 
1 1 1 -16 4  17 o 45.23394 2.370680  -0.1232529     4.741359 
1 1 1 -16 4  18 o 27.79798 3.598183  -10.61180      7.196366 
1 1 1 -16 4  19 o 99.04645 2.533373  3.695595       5.066746 
1 1 1 -16 4  20 o 125.0545 2.855155  -2.326271      5.710309 
1 1 1 -16 4  21 o 57.58971 2.267445  0.9203529      4.534890 
1 1 1 -16 4  22 o 82.39383 2.276540  -8.518005      4.553079 
1 1 1 -16 4  23 f 118.6371 2.005645  3.719872       4.011291 
1 1 1 -16 4  24 o 163.2622 2.231321  -4.297424      4.462642 
1 1 1 -16 4  25 o 135.7217 2.188318  4.800491       4.376636 
1 1 1 -16 4  26 o 47.20982 3.052922  -5.892910      6.105844 
1 1 1 -16 4  27 o 46.75379 3.074357  -4.140442      6.148714 
1 1 1 -16 4  28 o 45.84543 4.368018  -11.10083      8.736035 
1 1 1 -16 4  29 o 24.62661 4.639610  25.28640       9.279221 
1 1 1 -16 4  30 o 53.24171 2.799144  -4.479576      5.598288 
1 1 1 -16 4  31 o 55.16846 2.871013  -14.48760      5.742026 
1 1 1 -16 4  32 o 48.79842 3.249804  -19.04304      6.499608 
1 1 1 -16 4  33 o 32.51583 4.271830  -21.13860      8.543660 
1 1 1 -16 4  34 o 20.12592 5.429030  -3.910042      10.85806 
1 1 1 -16 4  35 o 21.58167 5.705159  -5.771889      11.41032 
1 1 1 -16 5  1  o 94.50269 2.185951  0.5276413      4.371901 
1 1 1 -16 5  2  o 262.1340 3.318858  7.876038       6.637716 
1 1 1 -16 5  3  o 104.4229 2.707104  8.985161       5.414207 
1 1 1 -16 5  4  o 84.11783 1.999130  1.905510       3.998261 
1 1 1 -16 5  5  o 96.41869 1.940594  2.811127       3.881187 
1 1 1 -16 5  6  o 78.58365 1.976704  1.712601       3.953409 
1 1 1 -16 5  7  o 75.89093 2.014861  3.345306       4.029722 
1 1 1 -16 5  8  o 149.0710 2.041059  -1.423477      4.082118 
1 1 1 -16 5  9  o 124.4429 1.955682  7.433540       3.911364 
1 1 1 -16 5  10 o 78.21036 4.732010  ?              ?        
1 1 1 -16 5  11 o 123.4554 2.784438  0.4873428      5.568876 
1 1 1 -16 5  12 o 18.71779 4.433194  -6.510179      8.866387 
1 1 1 -16 5  13 o 112.9083 1.907616  6.957832       3.815231 
1 1 1 -16 5  14 o 55.71750 2.176589  0.3787308      4.353177 
1 1 1 -16 5  15 o 70.85921 1.950649  -1.961739      3.901299 
1 1 1 -16 5  16 o 108.7490 1.891234  3.601723       3.782469 
1 1 1 -16 5  17 o 79.67151 1.962108  3.873367       3.924217 
1 1 1 -16 5  18 o 26.06871 3.656116  2.665813       7.312232 
1 1 1 -16 5  19 o 73.13367 2.999757  -7.508087      5.999513 
1 1 1 -16 5  20 o 45.36722 3.126953  -9.255611      6.253906 
1 1 1 -16 5  21 o 26.01735 8.480601  ?              ?        
1 1 1 -16 5  22 o 45.55952 3.067698  8.732548       6.135396 
1 1 1 -16 5  23 o 94.75824 2.099381  1.745766       4.198762 
1 1 1 -16 5  24 f 71.27527 2.464311  -6.702644      4.928621 
1 1 1 -16 5  25 o 99.48666 2.227732  -6.156975      4.455463 
1 1 1 -16 5  26 o 70.01411 2.464801  1.445107       4.929603 
1 1 1 -16 5  27 o 30.47227 5.321798  -5.430834      10.64360 
1 1 1 -16 5  28 o 35.53606 4.135604  -7.602890      8.271209 
1 1 1 -16 5  29 o 49.56611 4.116087  -7.477020      8.232174 
1 1 1 -16 5  30 o 19.95917 5.075841  0.3821373      10.15168 
1 1 1 -16 5  31 o 36.53436 3.708663  3.091270       7.417325 
1 1 1 -16 5  32 o 38.42851 3.889167  -17.58503      7.778335 
1 1 1 -16 5  33 o 13.75091 4.219150  3.630206       8.438299 
1 1 1 -16 5  34 o 15.64560 5.054121  -8.166240      10.10824 
1 1 1 -16 5  35 o 18.80940 5.532069  -2.252663      11.06414 
1 1 1 -16 6  1  o 88.22999 2.718404  0.6640320      5.436808 
1 1 1 -16 6  2  f 209.8946 3.243638  4.259140       6.487276 
1 1 1 -16 6  3  o 218.1352 2.530233  7.112503       5.060465 
1 1 1 -16 6  4  o 93.98376 2.047529  8.734917       4.095058 
1 1 1 -16 6  5  o 92.04099 2.059941  1.319023       4.119882 
1 1 1 -16 6  6  o 83.30463 2.108676  -7.832718      4.217351 
1 1 1 -16 6  7  o 80.17908 2.057568  3.828453       4.115136 
1 1 1 -16 6  8  o 186.0655 2.312800  -4.118698      4.625600 
1 1 1 -16 6  9  o 92.60970 2.541430  2.637108       5.082859 
1 1 1 -16 6  10 o 97.23747 4.466462  ?              ?        
1 1 1 -16 6  11 o 41.88538 4.564044  -3.785206      9.128088 
1 1 1 -16 6  12 o 57.26348 3.104550  11.06545       6.209100 
1 1 1 -16 6  13 o 57.41993 2.326523  -7.357834      4.653047 
1 1 1 -16 6  14 o 56.15419 2.350181  -1.366062      4.700362 
1 1 1 -16 6  15 o 119.7933 2.027024  -1.852356      4.054048 
1 1 1 -16 6  16 o 160.2048 2.200159  0.5028992      4.400319 
1 1 1 -16 6  17 o 79.57940 2.051819  3.663620       4.103639 
1 1 1 -16 6  18 o 33.81901 3.574047  -3.020809      7.148093 
1 1 1 -16 6  19 o 44.78872 3.635965  14.17838       7.271929 
1 1 1 -16 6  20 o 57.43280 3.075118  ?              ?        
1 1 1 -16 6  21 o 112.4236 4.775300  ?              ?        
1 1 1 -16 6  22 o 71.28985 2.576783  -0.1311188     5.153567 
1 1 1 -16 6  23 o 60.56326 2.655860  -10.46790      5.311720 
1 1 1 -16 6  24 f 109.4316 2.291349  -5.815956      4.582698 
1 1 1 -16 6  25 o 56.10077 2.880488  3.115871       5.760976 
1 1 1 -16 6  26 o 67.44122 2.772726  -10.62762      5.545452 
1 1 1 -16 6  27 o 15.88596 5.108512  2.921556       10.21702 
1 1 1 -16 6  28 f 20.36233 4.762568  -5.247471      9.525137 
1 1 1 -16 6  29 o 43.38156 4.330563  -19.43451      8.661125 
1 1 1 -16 6  30 o 17.00289 4.765671  -1.417444      9.531343 
1 1 1 -16 6  31 o 14.62678 4.431968  5.060946       8.863936 
1 1 1 -16 6  32 o 17.11657 4.705134  -7.227963      9.410269 
1 1 1 -16 6  33 o 19.01019 5.001411  -6.173977      10.00282 
1 1 1 -16 6  34 o 16.65514 5.393785  -5.594739      10.78757 
1 1 1 -16 6  35 o 15.42262 7.121280  ?              ?        
1 1 1 -16 7  1  o 40.47915 3.329484  ?              ?        
1 1 1 -16 7  2  o 56.48840 3.188985  -7.513420      6.377971 
1 1 1 -16 7  3  o 182.1278 2.360137  0.5638580      4.720273 
1 1 1 -16 7  4  o 41.72939 3.150024  -0.8968735     6.300048 
1 1 1 -16 7  5  o 115.2395 2.112819  1.566620       4.225639 
1 1 1 -16 7  6  o 97.52034 2.125945  -1.769882      4.251889 
1 1 1 -16 7  7  o 68.43932 2.303907  0.9303131      4.607813 
1 1 1 -16 7  8  o 141.7839 2.704491  5.748123       5.408981 
1 1 1 -16 7  9  o 60.19576 2.797858  -7.151424      5.595717 
1 1 1 -16 7  10 f 96.20500 3.012952  -10.79878      6.025903 
1 1 1 -16 7  11 o 128.2929 3.162390  15.00448       6.324781 
1 1 1 -16 7  12 o 26.52968 3.960358  -15.19917      7.920716 
1 1 1 -16 7  13 o 119.4552 2.106906  -3.475685      4.213812 
1 1 1 -16 7  14 o 105.8931 2.098427  -7.273132      4.196854 
1 1 1 -16 7  15 o 65.58025 2.307285  -1.730583      4.614570 
1 1 1 -16 7  16 o 51.06166 2.562144  1.237045       5.124288 
1 1 1 -16 7  17 o 70.61343 2.313467  -6.845932      4.626934 
1 1 1 -16 7  18 o 85.86195 2.971255  10.23831       5.942510 
1 1 1 -16 7  19 o 74.30161 2.990859  6.692146       5.981718 
1 1 1 -16 7  20 x ?        ?         ?              ?        
1 1 1 -16 7  21 f 31.54182 4.330163  -10.58685      8.660327 
1 1 1 -16 7  22 o 26.35158 4.365809  -17.31441      8.731618 
1 1 1 -16 7  23 o 31.75126 4.481171  -8.738052      8.962341 
1 1 1 -16 7  24 o 102.3250 2.370784  3.082436       4.741569 
1 1 1 -16 7  25 o 67.43225 2.789847  -3.210464      5.579694 
1 1 1 -16 7  26 o 55.40039 3.261039  -3.964939      6.522079 
1 1 1 -16 7  27 f 27.73033 4.708106  -9.674944      9.416211 
1 1 1 -16 7  28 o 17.90892 5.493122  2.496286       10.98624 
1 1 1 -16 7  29 o 72.06292 2.649251  -12.64384      5.298502 
1 1 1 -16 7  30 f 31.56220 4.481724  -0.7566261E-01 8.963449 
1 1 1 -16 7  31 o 16.08788 4.594018  -3.530310      9.188035 
1 1 1 -16 7  32 f 38.09642 3.606722  -16.23209      7.213444 
1 1 1 -16 7  33 o 15.44495 4.969244  -3.170568      9.938488 
1 1 1 -16 7  34 o 16.62155 5.372258  -10.18365      10.74452 
1 1 1 -16 8  1  o 89.88290 2.569253  -9.982452      5.138506 
1 1 1 -16 8  2  o 70.52753 2.831470  -0.9450607     5.662940 
1 1 1 -16 8  3  o 55.86774 2.975518  4.983410       5.951035 
1 1 1 -16 8  4  o 34.31739 4.330505  -9.925222      8.661010 
1 1 1 -16 8  5  o 31.88652 3.866658  7.289610       7.733316 
1 1 1 -16 8  6  o 53.80930 2.788246  7.250225       5.576493 
1 1 1 -16 8  7  o 13.94322 4.388967  -0.8791065E-01 8.777934 
1 1 1 -16 8  8  o 91.80497 2.596058  4.202286       5.192116 
1 1 1 -16 8  9  o 24.35091 4.664352  -0.5591412     9.328705 
1 1 1 -16 8  10 o 112.4216 3.836568  ?              ?        
1 1 1 -16 8  11 o 25.02327 4.249040  -7.640581      8.498079 
1 1 1 -16 8  12 o 81.45596 2.243578  1.751732       4.487156 
1 1 1 -16 8  13 f 80.87444 2.228115  0.7647018      4.456230 
1 1 1 -16 8  14 o 55.01970 2.481761  12.99123       4.963521 
1 1 1 -16 8  15 o 45.43237 2.810885  2.856686       5.621771 
1 1 1 -16 8  16 o 92.46617 2.207325  2.358574       4.414649 
1 1 1 -16 8  17 f 90.55299 2.788487  5.108749       5.576974 
1 1 1 -16 8  18 o 71.17464 4.018200  ?              ?        
1 1 1 -16 8  19 o 45.05988 4.270813  -2.194191      8.541625 
1 1 1 -16 8  20 o 63.02335 3.646723  -1.448452      7.293446 
1 1 1 -16 8  21 o 73.85786 2.764556  -8.345604      5.529112 
1 1 1 -16 8  22 o 92.25941 2.622320  -0.7866669E-01 5.244639 
1 1 1 -16 8  23 o 16.68482 4.856424  7.002607       9.712849 
1 1 1 -16 8  24 o 46.62283 3.536526  -4.589321      7.073052 
1 1 1 -16 8  25 o 53.05331 3.252599  -1.061626      6.505198 
1 1 1 -16 8  26 o 50.25719 4.769966  -5.410233      9.539932 
1 1 1 -16 8  27 o 16.22818 4.744246  11.51643       9.488491 
1 1 1 -16 8  28 o 69.99828 3.869486  4.121086       7.738971 
1 1 1 -16 8  29 o 25.15614 3.939723  -23.36277      7.879446 
1 1 1 -16 8  30 o 39.69349 3.729492  -10.76807      7.458985 
1 1 1 -16 8  31 o 23.56610 4.965386  -3.541779      9.930773 
1 1 1 -16 8  32 o 33.10494 4.200614  -13.62083      8.401229 
1 1 1 -16 8  33 o 16.11499 5.168204  -10.00836      10.33641 
1 1 1 -16 8  34 o 15.76069 7.544191  ?              ?        
1 1 1 -16 9  1  o 153.7548 2.833804  11.30684       5.667608 
1 1 1 -16 9  2  o 17.13538 4.796798  0.8010273      9.593596 
1 1 1 -16 9  3  o 52.40296 3.516452  -15.64304      7.032904 
1 1 1 -16 9  4  o 62.62638 2.916545  -1.258308      5.833090 
1 1 1 -16 9  5  o 48.82868 3.466399  -1.975571      6.932799 
1 1 1 -16 9  6  o 101.6482 2.676118  -2.332741      5.352235 
1 1 1 -16 9  7  o 68.33380 2.923795  1.495575       5.847590 
1 1 1 -16 9  8  o 68.43343 2.953624  -1.072891      5.907249 
1 1 1 -16 9  9  o 96.64548 3.302865  5.996559       6.605731 
1 1 1 -16 9  10 o 43.00999 3.254485  0.7271194      6.508970 
1 1 1 -16 9  11 o 13.51225 4.161923  3.255390       8.323846 
1 1 1 -16 9  12 o 53.57793 2.701875  5.378109       5.403750 
1 1 1 -16 9  13 o 102.5468 2.262749  1.185532       4.525498 
1 1 1 -16 9  14 o 149.9252 2.359045  -7.056885      4.718089 
1 1 1 -16 9  15 o 18.16015 4.599370  4.812688       9.198740 
1 1 1 -16 9  16 o 64.82532 3.066236  5.806339       6.132472 
1 1 1 -16 9  17 o 52.75656 3.182337  6.401390       6.364674 
1 1 1 -16 9  18 o 47.96375 3.137208  -9.726570      6.274415 
1 1 1 -16 9  19 x ?        ?         ?              ?        
1 1 1 -16 9  20 o 75.00679 3.511425  5.447624       7.022851 
1 1 1 -16 9  21 o 22.61122 5.578894  3.635612       11.15779 
1 1 1 -16 9  22 o 47.39267 3.816268  -5.329395      7.632535 
1 1 1 -16 9  23 o 64.65379 3.291538  -14.00140      6.583076 
1 1 1 -16 9  24 f 18.32431 5.073207  -0.4807568     10.14641 
1 1 1 -16 9  25 o 93.58164 3.446957  -1.852371      6.893915 
1 1 1 -16 9  26 f 30.20753 4.732176  -10.62999      9.464353 
1 1 1 -16 9  27 f 52.52366 5.445729  -25.81467      10.89146 
1 1 1 -16 9  28 o 26.73257 5.308565  -8.845654      10.61713 
1 1 1 -16 9  29 o 43.12687 4.030434  -24.19470      8.060868 
1 1 1 -16 9  30 o 19.09369 4.488377  -11.13504      8.976753 
1 1 1 -16 9  31 o 29.12922 4.314448  -9.994097      8.628897 
1 1 1 -16 9  32 o 26.72975 9.750301  ?              ?        
1 1 1 -16 9  33 o 13.94955 4.724055  -2.468602      9.448111 
1 1 1 -16 9  34 x ?        ?         ?              ?        
1 1 1 -16 10 1  o 154.4936 2.820216  -8.190659      5.640431 
1 1 1 -16 10 2  o 68.91080 2.882501  4.939209       5.765003 
1 1 1 -16 10 3  o 120.6120 2.736487  2.895256       5.472974 
1 1 1 -16 10 4  o 101.7948 2.728367  -0.6586838     5.456733 
1 1 1 -16 10 5  o 97.94285 2.762619  -4.178345      5.525237 
1 1 1 -16 10 6  f 123.3521 3.193569  1.987289       6.387139 
1 1 1 -16 10 7  o 22.89691 5.622739  8.121538       11.24548 
1 1 1 -16 10 8  o 109.3226 2.893617  ?              ?        
1 1 1 -16 10 9  o 104.6360 2.366914  -3.515610      4.733828 
1 1 1 -16 10 10 o 184.8122 3.352409  ?              ?        
1 1 1 -16 10 11 o 111.6460 2.348684  5.229156       4.697368 
1 1 1 -16 10 12 o 105.4496 2.364400  -4.171349      4.728801 
1 1 1 -16 10 13 o 96.57678 2.379088  -0.1733475     4.758175 
1 1 1 -16 10 14 o 15.37319 4.415052  -3.088574      8.830105 
1 1 1 -16 10 15 o 121.4615 2.908214  -9.050186      5.816428 
1 1 1 -16 10 16 o 64.04932 3.078045  -4.774303      6.156089 
1 1 1 -16 10 17 o 40.91800 3.942402  -5.300507      7.884805 
1 1 1 -16 10 18 x ?        ?         ?              ?        
1 1 1 -16 10 19 o 51.04491 4.126980  -0.4552002     8.253960 
1 1 1 -16 10 20 o 122.4846 3.399831  -14.22173      6.799662 
1 1 1 -16 10 21 f 72.01128 3.133873  -5.293205      6.267747 
1 1 1 -16 10 22 o 70.26252 3.167100  4.516891       6.334200 
1 1 1 -16 10 23 o 35.57257 4.785557  1.722965       9.571114 
1 1 1 -16 10 24 o 101.1659 2.942099  -1.421242      5.884197 
1 1 1 -16 10 25 o 19.29046 5.170247  10.86764       10.34049 
1 1 1 -16 10 26 f 25.15553 4.504899  -18.37184      9.009798 
1 1 1 -16 10 27 o 60.68598 2.975046  1.738384       5.950092 
1 1 1 -16 10 28 o 21.83458 4.671826  -8.572361      9.343652 
1 1 1 -16 10 29 o 28.60390 4.387973  -9.954866      8.775947 
1 1 1 -16 10 30 o 14.42817 4.344709  4.365129       8.689419 
1 1 1 -16 10 31 o 46.42736 4.328437  -34.79071      8.656874 
1 1 1 -16 10 32 o 50.21947 4.769450  -35.72145      9.538899 
1 1 1 -16 10 33 x ?        ?         ?              ?        
1 1 1 -16 11 1  o 163.0119 2.945647  -3.277939      5.891295 
1 1 1 -16 11 2  o 81.03989 2.819459  2.095085       5.638918 
1 1 1 -16 11 3  o 34.11945 4.690112  -4.062664      9.380224 
1 1 1 -16 11 4  o 83.06109 3.425773  8.859192       6.851546 
1 1 1 -16 11 5  f 44.08330 4.163314  -5.887615      8.326628 
1 1 1 -16 11 6  o 38.77571 4.624959  -13.77135      9.249918 
1 1 1 -16 11 7  o 95.81410 3.061430  ?              ?        
1 1 1 -16 11 8  o 66.28844 3.300889  -0.2866364E-01 6.601779 
1 1 1 -16 11 9  o 35.65211 4.688856  -1.896217      9.377711 
1 1 1 -16 11 10 o 68.51087 3.105392  -5.085617      6.210784 
1 1 1 -16 11 11 o 53.02832 3.297880  8.458679       6.595760 
1 1 1 -16 11 12 o 19.86108 4.751368  12.38959       9.502736 
1 1 1 -16 11 13 o 88.34717 2.539347  -1.066185      5.078694 
1 1 1 -16 11 14 o 213.7824 3.404970  0.1705322      6.809939 
1 1 1 -16 11 15 o 98.64089 2.901742  -6.634262      5.803484 
1 1 1 -16 11 16 o 56.15604 3.114353  -1.274265      6.228706 
1 1 1 -16 11 17 o 67.62419 4.629430  ?              ?        
1 1 1 -16 11 18 o 45.91499 4.781345  7.467880       9.562691 
1 1 1 -16 11 19 o 76.66834 3.774435  -4.129456      7.548870 
1 1 1 -16 11 20 o 29.65947 6.028511  0.5656376      12.05702 
1 1 1 -16 11 21 o 33.47559 5.208709  3.660089       10.41742 
1 1 1 -16 11 22 o 41.14450 4.824160  0.6466484      9.648319 
1 1 1 -16 11 23 o 60.64877 3.509538  4.385563       7.019075 
1 1 1 -16 11 24 o 50.95612 5.100238  -1.586639      10.20048 
1 1 1 -16 11 25 o 16.78534 5.310065  5.659899       10.62013 
1 1 1 -16 11 26 o 38.86309 4.341762  -9.609505      8.683524 
1 1 1 -16 11 27 o 21.00933 4.207641  -14.28217      8.415282 
1 1 1 -16 11 28 f 19.19491 4.807837  -5.294552      9.615673 
1 1 1 -16 11 29 o 18.15417 4.848042  0.6301136      9.696085 
1 1 1 -16 11 30 o 19.98550 4.924939  -0.6318836     9.849878 
1 1 1 -16 11 31 o 20.46319 5.239182  -19.84233      10.47836 
1 1 1 -16 11 32 o 16.10303 7.548163  ?              ?        
1 1 1 -16 11 33 x ?        ?         ?              ?        
1 1 1 -16 12 1  o 167.6179 3.105982  4.518250       6.211964 
1 1 1 -16 12 2  o 90.69510 4.866668  ?              ?        
1 1 1 -16 12 3  o 78.58432 3.381292  2.224525       6.762584 
1 1 1 -16 12 4  o 79.03781 3.042965  -2.443901      6.085931 
1 1 1 -16 12 5  o 137.6559 3.259640  ?              ?        
1 1 1 -16 12 6  o 57.65096 3.588623  -1.899456      7.177246 
1 1 1 -16 12 7  o 70.31786 3.251216  8.482582       6.502433 
1 1 1 -16 12 8  o 105.6980 3.024963  11.14401       6.049927 
1 1 1 -16 12 9  o 162.1990 3.129679  3.078873       6.259358 
1 1 1 -16 12 10 o 82.29510 3.165678  6.424324       6.331355 
1 1 1 -16 12 11 f 94.13525 3.012956  3.062241       6.025912 
1 1 1 -16 12 12 o 66.49861 4.817883  ?              ?        
1 1 1 -16 12 13 o 80.80003 3.626999  -10.03532      7.253998 
1 1 1 -16 12 14 o 36.45836 4.245876  -4.177608      8.491753 
1 1 1 -16 12 15 o 57.85925 3.760645  -10.57843      7.521290 
1 1 1 -16 12 16 o 54.70557 3.673564  ?              ?        
1 1 1 -16 12 17 o 21.50529 5.904388  0.1550274      11.80878 
1 1 1 -16 12 18 f 73.00985 3.913588  -1.662628      7.827177 
1 1 1 -16 12 19 o 52.05187 5.406619  -13.71363      10.81324 
1 1 1 -16 12 20 o 32.58262 6.495500  10.98181       12.99100 
1 1 1 -16 12 21 o 63.62636 3.786918  -0.4442482     7.573837 
1 1 1 -16 12 22 o 26.82460 5.842834  -4.242704      11.68567 
1 1 1 -16 12 23 o 46.14864 5.640215  -7.627762      11.28043 
1 1 1 -16 12 24 o 47.28903 5.711675  -19.11216      11.42335 
1 1 1 -16 12 25 o 25.01735 5.936562  -0.4204979     11.87312 
1 1 1 -16 12 26 o 15.00262 4.422464  -3.809418      8.844929 
1 1 1 -16 12 27 o 22.37445 3.975922  -16.58109      7.951844 
1 1 1 -16 12 28 o 14.53606 4.420183  4.598324       8.840366 
1 1 1 -16 12 29 o 37.37646 3.925367  -26.29914      7.850733 
1 1 1 -16 12 30 f 21.37309 5.528925  -13.18904      11.05785 
1 1 1 -16 12 31 o 12.95657 4.408764  -3.413699      8.817529 
1 1 1 -16 12 32 x ?        ?         ?              ?        
1 1 1 -16 13 1  o 64.16557 3.361105  -7.036369      6.722211 
1 1 1 -16 13 2  o 75.76884 3.151233  9.250824       6.302467 
1 1 1 -16 13 3  o 25.96519 7.077588  ?              ?        
1 1 1 -16 13 4  o 36.48373 4.627446  3.827785       9.254891 
1 1 1 -16 13 5  o 80.26038 3.167458  -2.262672      6.334917 
1 1 1 -16 13 6  f 42.99274 4.607229  -10.58422      9.214458 
1 1 1 -16 13 7  o 45.36574 4.020447  5.468620       8.040894 
1 1 1 -16 13 8  o 30.83914 5.482148  -1.292158      10.96430 
1 1 1 -16 13 9  o 118.5399 3.090799  13.73461       6.181597 
1 1 1 -16 13 10 o 117.3686 3.050444  -2.910370      6.100888 
1 1 1 -16 13 11 o 68.95715 3.393705  0.1761475      6.787409 
1 1 1 -16 13 12 o 65.43619 5.189511  ?              ?        
1 1 1 -16 13 13 o 125.9833 3.141105  2.838448       6.282209 
1 1 1 -16 13 14 o 86.45837 4.706451  ?              ?        
1 1 1 -16 13 15 o 55.91003 4.052909  10.14969       8.105818 
1 1 1 -16 13 16 o 32.54147 5.665263  7.056225       11.33053 
1 1 1 -16 13 17 o 42.84381 5.621847  5.467743       11.24369 
1 1 1 -16 13 18 o 107.8568 3.746463  -8.936142      7.492926 
1 1 1 -16 13 19 o 25.93557 6.304385  -6.143164      12.60877 
1 1 1 -16 13 20 o 34.24356 6.623943  16.16186       13.24789 
1 1 1 -16 13 21 o 109.7691 3.186301  -6.610977      6.372602 
1 1 1 -16 13 22 o 125.2552 3.214499  -15.07280      6.428998 
1 1 1 -16 13 23 o 29.62483 7.077075  15.28514       14.15415 
1 1 1 -16 13 24 o 35.58568 5.537858  -4.705395      11.07572 
1 1 1 -16 13 25 o 21.54667 4.983930  -3.259361      9.967859 
1 1 1 -16 13 26 o 22.08268 5.091498  7.170265       10.18300 
1 1 1 -16 13 27 f 33.64903 4.183462  -22.34554      8.366923 
1 1 1 -16 13 28 o 12.22134 5.577026  ?              ?        
1 1 1 -16 13 29 o 43.80059 4.305272  -48.40340      8.610544 
1 1 1 -16 13 30 o 15.31910 4.644352  2.146072       9.288705 
1 1 1 -16 13 31 x ?        ?         ?              ?        
1 1 1 -16 14 1  f 60.65531 4.167798  ?              ?        
1 1 1 -16 14 2  o 50.62152 3.856483  3.085625       7.712966 
1 1 1 -16 14 3  o 18.35184 5.281664  -0.4738007     10.56333 
1 1 1 -16 14 4  o 74.23996 3.464755  8.181946       6.929509 
1 1 1 -16 14 5  o 217.8018 3.577319  0.2439270      7.154639 
1 1 1 -16 14 6  o 64.05248 3.559542  0.9634590      7.119084 
1 1 1 -16 14 7  o 22.48824 5.235054  18.50970       10.47011 
1 1 1 -16 14 8  o 112.5260 3.137898  -19.89988      6.275795 
1 1 1 -16 14 9  o 45.28663 4.686784  -8.145191      9.373568 
1 1 1 -16 14 10 o 51.54116 4.712618  -9.249752      9.425237 
1 1 1 -16 14 11 o 32.45872 5.330044  -11.94240      10.66009 
1 1 1 -16 14 12 o 77.19417 5.195076  ?              ?        
1 1 1 -16 14 13 o 128.5761 3.435208  ?              ?        
1 1 1 -16 14 14 o 31.89341 5.581591  -11.82615      11.16318 
1 1 1 -16 14 15 o 15.28478 4.932675  0.6187801      9.865350 
1 1 1 -16 14 16 o 77.41991 3.766559  -5.665886      7.533119 
1 1 1 -16 14 17 o 134.2513 3.761537  -8.431641      7.523075 
1 1 1 -16 14 18 o 41.92004 5.868520  -26.72166      11.73704 
1 1 1 -16 14 19 o 82.15810 4.056022  -4.875107      8.112043 
1 1 1 -16 14 20 o 88.15616 4.073235  -7.058067      8.146470 
1 1 1 -16 14 21 o 56.51595 4.902693  -2.667366      9.805387 
1 1 1 -16 14 22 o 64.87440 5.150258  -10.62612      10.30052 
1 1 1 -16 14 23 o 19.79292 5.488780  -0.6929569     10.97756 
1 1 1 -16 14 24 o 34.61357 4.274008  -0.2764664     8.548016 
1 1 1 -16 14 25 o 18.04834 4.720510  -3.922298      9.441020 
1 1 1 -16 14 26 o 30.79515 4.003707  -28.63059      8.007414 
1 1 1 -16 14 27 o 24.77630 4.450391  -9.910244      8.900783 
1 1 1 -16 14 28 o 53.48087 3.830477  -26.78325      7.660954 
1 1 1 -16 14 29 o 14.11591 4.659619  -3.067172      9.319238 
1 1 1 -16 14 30 x ?        ?         ?              ?        
1 1 1 -16 14 31 x ?        ?         ?              ?        
1 1 1 -16 15 1  o 113.1583 3.178157  -0.5759430E-01 6.356314 
1 1 1 -16 15 2  o 47.48914 4.270640  17.37170       8.541280 
1 1 1 -16 15 3  o 81.65464 3.383306  1.878159       6.766611 
1 1 1 -16 15 4  o 144.4357 3.202951  -2.044235      6.405902 
1 1 1 -16 15 5  o 75.02447 5.628691  ?              ?        
1 1 1 -16 15 6  o 95.45143 3.309913  1.241440       6.619825 
1 1 1 -16 15 7  o 30.15698 5.282355  -17.45024      10.56471 
1 1 1 -16 15 8  o 77.75447 3.550051  -2.075584      7.100101 
1 1 1 -16 15 9  o 27.58752 5.913865  -21.31384      11.82773 
1 1 1 -16 15 10 o 58.30563 4.505224  -4.618610      9.010448 
1 1 1 -16 15 11 o 53.65638 4.515734  ?              ?        
1 1 1 -16 15 12 o 54.89713 4.265308  17.17573       8.530617 
1 1 1 -16 15 13 o 33.09462 6.044457  8.255369       12.08891 
1 1 1 -16 15 14 o 68.62605 3.854364  4.374184       7.708728 
1 1 1 -16 15 15 o 79.45212 3.892277  9.198601       7.784554 
1 1 1 -16 15 16 o 23.35039 6.043950  -3.821236      12.08790 
1 1 1 -16 15 17 o 43.20562 6.117729  0.5305939      12.23546 
1 1 1 -16 15 18 o 103.1763 3.983485  8.867920       7.966970 
1 1 1 -16 15 19 o 65.28136 4.508706  2.193100       9.017412 
1 1 1 -16 15 20 o 26.73590 6.163839  -9.981833      12.32768 
1 1 1 -16 15 21 x ?        ?         ?              ?        
1 1 1 -16 15 22 o 34.75593 5.951255  21.98585       11.90251 
1 1 1 -16 15 23 f 24.59859 5.578080  -11.34126      11.15616 
1 1 1 -16 15 24 o 33.12827 4.816983  -8.816301      9.633965 
1 1 1 -16 15 25 o 36.53070 4.776139  -20.32980      9.552279 
1 1 1 -16 15 26 o 29.01115 4.526413  -16.75781      9.052827 
1 1 1 -16 15 27 o 21.64802 7.345704  ?              ?        
1 1 1 -16 15 28 o 22.64220 5.536415  -5.340410      11.07283 
1 1 1 -16 15 29 x ?        ?         ?              ?        
1 1 1 -16 15 30 x ?        ?         ?              ?        
1 1 1 -16 16 1  o 73.11716 3.620813  9.138977       7.241626 
1 1 1 -16 16 2  o 82.15602 3.539067  -4.242752      7.078135 
1 1 1 -16 16 3  o 78.41974 3.524966  -4.958870      7.049932 
1 1 1 -16 16 4  o 88.15966 3.411247  2.319244       6.822494 
1 1 1 -16 16 5  o 71.74096 3.779700  2.516403       7.559399 
1 1 1 -16 16 6  o 73.41309 3.878716  -4.001022      7.757432 
1 1 1 -16 16 7  o 33.50143 9.338873  ?              ?        
1 1 1 -16 16 8  o 120.5165 3.784607  -4.184204      7.569214 
1 1 1 -16 16 9  o 52.84661 4.858639  ?              ?        
1 1 1 -16 16 10 o 23.02022 5.545187  -10.95290      11.09037 
1 1 1 -16 16 11 o 87.50699 3.565228  2.203133       7.130455 
1 1 1 -16 16 12 o 22.76276 6.354822  4.209417       12.70964 
1 1 1 -16 16 13 o 21.67767 5.891897  -4.853634      11.78379 
1 1 1 -16 16 14 o 43.59838 5.668960  -8.979641      11.33792 
1 1 1 -16 16 15 o 87.02934 3.745558  -7.109352      7.491115 
1 1 1 -16 16 16 o 32.48774 6.417505  -3.424433      12.83501 
1 1 1 -16 16 17 o 21.60551 6.181932  -5.370092      12.36386 
1 1 1 -16 16 18 f 26.87166 6.326120  -7.856237      12.65224 
1 1 1 -16 16 19 o 16.93077 5.422504  -1.289276      10.84501 
1 1 1 -16 16 20 x ?        ?         ?              ?        
1 1 1 -16 16 21 o 21.46994 5.767967  -6.587662      11.53593 
1 1 1 -16 16 22 o 34.22380 5.718934  -7.622746      11.43787 
1 1 1 -16 16 23 o 35.67780 5.385810  -18.93713      10.77162 
1 1 1 -16 16 24 o 69.69666 3.381334  -13.70005      6.762668 
1 1 1 -16 16 25 o 23.08819 5.311683  2.131462       10.62337 
1 1 1 -16 16 26 f 34.17369 5.418618  -2.542465      10.83724 
1 1 1 -16 16 27 o 15.01238 6.597215  ?              ?        
1 1 1 -16 16 28 x ?        ?         ?              ?        
1 1 1 -16 16 29 x ?        ?         ?              ?        
1 1 1 -16 17 1  f 44.91333 5.322711  -8.461147      10.64542 
1 1 1 -16 17 2  f 45.86868 4.912770  -7.481281      9.825541 
1 1 1 -16 17 3  o 24.88116 6.101574  14.03883       12.20315 
1 1 1 -16 17 4  o 29.14108 9.560654  ?              ?        
1 1 1 -16 17 5  o 66.11413 4.504934  -9.161236      9.009869 
1 1 1 -16 17 6  o 62.05799 4.249378  -1.688068      8.498756 
1 1 1 -16 17 7  o 94.22234 4.140249  ?              ?        
1 1 1 -16 17 8  o 43.33432 5.348290  6.235394       10.69658 
1 1 1 -16 17 9  o 43.42332 5.488411  5.045170       10.97682 
1 1 1 -16 17 10 o 40.95117 5.805178  -12.83812      11.61036 
1 1 1 -16 17 11 o 50.70534 4.777700  0.1927185      9.555400 
1 1 1 -16 17 12 o 52.82380 5.090870  -8.683762      10.18174 
1 1 1 -16 17 13 o 27.21465 6.146620  -7.983755      12.29324 
1 1 1 -16 17 14 o 67.36909 4.488301  -11.20524      8.976603 
1 1 1 -16 17 15 o 19.64128 5.990651  5.078365       11.98130 
1 1 1 -16 17 16 o 34.57753 7.161040  0.5873375      14.32208 
1 1 1 -16 17 17 o 20.19734 5.979034  4.730167       11.95807 
1 1 1 -16 17 18 x ?        ?         ?              ?        
1 1 1 -16 17 19 o 22.55656 6.092707  -6.219469      12.18541 
1 1 1 -16 17 20 o 36.78068 6.239448  5.707848       12.47890 
1 1 1 -16 17 21 o 58.89010 4.364984  5.770153       8.729968 
1 1 1 -16 17 22 o 49.76004 4.800642  -11.45470      9.601284 
1 1 1 -16 17 23 o 70.16755 3.860566  -14.97840      7.721131 
1 1 1 -16 17 24 o 52.02926 3.509526  -8.615078      7.019053 
1 1 1 -16 17 25 o 21.29818 5.331261  6.959759       10.66252 
1 1 1 -16 17 26 o 31.28510 5.358108  -12.83582      10.71622 
1 1 1 -16 17 27 x ?        ?         ?              ?        
1 1 1 -16 17 28 x ?        ?         ?              ?        
1 1 1 -16 18 1  o 76.03103 6.172461  ?              ?        
1 1 1 -16 18 2  o 76.00926 4.059536  -8.699409      8.119072 
1 1 1 -16 18 3  o 72.43164 3.904898  -11.48801      7.809796 
1 1 1 -16 18 4  o 109.7703 3.545184  3.056442       7.090369 
1 1 1 -16 18 5  o 26.72510 8.314474  ?              ?        
1 1 1 -16 18 6  o 75.28275 4.046723  -2.216743      8.093447 
1 1 1 -16 18 7  o 49.80481 5.487365  -6.794907      10.97473 
1 1 1 -16 18 8  o 28.79554 6.524116  -5.216946      13.04823 
1 1 1 -16 18 9  o 34.60486 6.245444  3.659031       12.49089 
1 1 1 -16 18 10 o 41.69126 5.850945  8.611473       11.70189 
1 1 1 -16 18 11 o 31.67863 6.541048  4.753859       13.08210 
1 1 1 -16 18 12 o 51.83652 4.947727  1.140038       9.895453 
1 1 1 -16 18 13 o 49.44185 5.761443  -13.94964      11.52289 
1 1 1 -16 18 14 o 65.55060 5.034317  -3.419445      10.06863 
1 1 1 -16 18 15 o 86.25497 3.810588  2.130783       7.621176 
1 1 1 -16 18 16 o 25.64977 6.756052  6.512985       13.51210 
1 1 1 -16 18 17 o 19.11519 5.606612  -0.9607315E-01 11.21322 
1 1 1 -16 18 18 o 29.09003 6.456958  -5.399181      12.91392 
1 1 1 -16 18 19 o 13.40038 4.527861  -0.5667334     9.055722 
1 1 1 -16 18 20 o 25.19492 6.001699  12.90631       12.00340 
1 1 1 -16 18 21 o 21.37873 5.669293  6.689016       11.33859 
1 1 1 -16 18 22 o 20.36671 5.503374  5.325983       11.00675 
1 1 1 -16 18 23 o 15.73189 4.841138  -4.916494      9.682277 
1 1 1 -16 18 24 o 18.72169 5.244249  -0.8480377     10.48850 
1 1 1 -16 18 25 o 13.95880 6.622576  ?              ?        
1 1 1 -16 18 26 x ?        ?         ?              ?        
1 1 1 -16 18 27 x ?        ?         ?              ?        
1 1 1 -16 19 1  o 49.84776 5.585238  8.760517       11.17048 
1 1 1 -16 19 2  o 60.08775 5.244962  ?              ?        
1 1 1 -16 19 3  o 28.28432 6.266531  -8.820551      12.53306 
1 1 1 -16 19 4  o 34.01797 6.059049  -14.35989      12.11810 
1 1 1 -16 19 5  o 126.2355 3.579640  -2.893272      7.159281 
1 1 1 -16 19 6  o 45.77663 6.014616  -11.05642      12.02923 
1 1 1 -16 19 7  o 66.56638 4.399700  6.621346       8.799399 
1 1 1 -16 19 8  o 30.89758 6.107247  21.04863       12.21449 
1 1 1 -16 19 9  o 37.99443 6.081829  17.33423       12.16366 
1 1 1 -16 19 10 o 102.1783 3.647143  -1.663521      7.294285 
1 1 1 -16 19 11 f 72.17896 4.274613  -8.882324      8.549226 
1 1 1 -16 19 12 o 26.41437 6.795062  -8.490101      13.59012 
1 1 1 -16 19 13 o 18.66910 8.555961  ?              ?        
1 1 1 -16 19 14 o 43.59211 5.801778  17.45208       11.60356 
1 1 1 -16 19 15 o 41.70202 5.967777  ?              ?        
1 1 1 -16 19 16 o 44.71530 4.867405  -6.814690      9.734811 
1 1 1 -16 19 17 o 42.46236 4.870350  -9.227577      9.740701 
1 1 1 -16 19 18 o 36.02157 5.965568  2.939415       11.93114 
1 1 1 -16 19 19 o 26.06478 5.862646  -5.164333      11.72529 
1 1 1 -16 19 20 o 13.46861 4.412729  -0.1431398     8.825458 
1 1 1 -16 19 21 o 20.04263 5.222696  -9.826906      10.44539 
1 1 1 -16 19 22 o 17.65396 4.883716  5.003377       9.767431 
1 1 1 -16 19 23 o 21.00351 5.292967  -10.93407      10.58593 
1 1 1 -16 19 24 x ?        ?         ?              ?        
1 1 1 -16 19 25 x ?        ?         ?              ?        
1 1 1 -16 19 26 x ?        ?         ?              ?        
1 1 1 -16 20 1  o 36.83799 5.725442  19.24397       11.45088 
1 1 1 -16 20 2  o 37.11970 6.287251  -12.23173      12.57450 
1 1 1 -16 20 3  o 101.2055 3.540019  6.248978       7.080037 
1 1 1 -16 20 4  o 27.61357 6.336333  2.725283       12.67267 
1 1 1 -16 20 5  o 28.18344 6.254543  -4.912638      12.50909 
1 1 1 -16 20 6  o 57.30879 4.733641  6.303505       9.467282 
1 1 1 -16 20 7  o 33.24879 6.332822  4.055510       12.66564 
1 1 1 -16 20 8  o 43.88796 5.761094  -23.35812      11.52219 
1 1 1 -16 20 9  o 64.07037 4.286951  7.771088       8.573902 
1 1 1 -16 20 10 o 80.91245 4.578096  6.395012       9.156193 
1 1 1 -16 20 11 o 22.97339 6.367153  0.7837906      12.73431 
1 1 1 -16 20 12 o 50.03793 4.788496  13.18948       9.576992 
1 1 1 -16 20 13 o 38.41389 6.256594  ?              ?        
1 1 1 -16 20 14 f 58.57509 4.375729  -13.32092      8.751457 
1 1 1 -16 20 15 o 63.34995 4.026678  -10.62952      8.053355 
1 1 1 -16 20 16 o 53.01664 4.145542  -10.91017      8.291083 
1 1 1 -16 20 17 o 48.17344 3.939122  1.331379       7.878243 
1 1 1 -16 20 18 o 30.85880 5.170905  -24.18330      10.34181 
1 1 1 -16 20 19 o 21.44729 5.657712  7.741962       11.31542 
1 1 1 -16 20 20 o 16.81925 5.050000  -5.776615      10.10000 
1 1 1 -16 20 21 o 34.43272 4.992423  -7.529528      9.984846 
1 1 1 -16 20 22 x ?        ?         ?              ?        
1 1 1 -16 20 23 x ?        ?         ?              ?        
1 1 1 -16 20 24 x ?        ?         ?              ?        
1 1 1 -16 20 25 x ?        ?         ?              ?        
1 1 1 -16 21 1  o 31.43654 5.920155  -1.172878      11.84031 
1 1 1 -16 21 2  o 74.47646 3.850761  -0.6531525E-01 7.701522 
1 1 1 -16 21 3  o 32.55774 5.801165  9.668154       11.60233 
1 1 1 -16 21 4  o 41.28487 4.566012  6.649101       9.132024 
1 1 1 -16 21 5  o 49.13032 4.531732  1.014275       9.063463 
1 1 1 -16 21 6  f 17.82528 5.406203  3.156054       10.81241 
1 1 1 -16 21 7  o 63.40514 4.995878  -8.725967      9.991755 
1 1 1 -16 21 8  o 62.46394 4.724076  -1.177250      9.448153 
1 1 1 -16 21 9  o 45.83153 4.615856  9.964977       9.231712 
1 1 1 -16 21 10 o 14.19714 6.388679  ?              ?        
1 1 1 -16 21 11 o 31.60171 5.746741  2.422527       11.49348 
1 1 1 -16 21 12 o 56.37920 4.069147  -19.28072      8.138293 
1 1 1 -16 21 13 o 18.36110 5.232815  5.536660       10.46563 
1 1 1 -16 21 14 o 16.55720 4.750444  -6.365140      9.500889 
1 1 1 -16 21 15 o 27.63102 4.862795  -15.69634      9.725590 
1 1 1 -16 21 16 o 13.84279 4.396404  2.677818       8.792809 
1 1 1 -16 21 17 o 15.39126 4.243518  -8.973653      8.487036 
1 1 1 -16 21 18 o 17.49819 5.070331  -4.558303      10.14066 
1 1 1 -16 21 19 o 26.51053 5.297812  -15.95065      10.59562 
1 1 1 -16 21 20 x ?        ?         ?              ?        
1 1 1 -16 21 21 x ?        ?         ?              ?        
1 1 1 -16 21 22 x ?        ?         ?              ?        
1 1 1 -16 21 23 x ?        ?         ?              ?        
1 1 1 -16 22 1  o 37.54825 5.410570  0.3792458      10.82114 
1 1 1 -16 22 2  o 34.84498 5.690701  13.20164       11.38140 
1 1 1 -16 22 3  o 33.83804 6.038940  8.535894       12.07788 
1 1 1 -16 22 4  o 27.93052 8.867784  ?              ?        
1 1 1 -16 22 5  o 51.22447 4.045497  0.1834869E-01  8.090995 
1 1 1 -16 22 6  o 45.60751 4.132423  12.90218       8.264847 
1 1 1 -16 22 7  o 54.21600 4.593742  ?              ?        
1 1 1 -16 22 8  f 28.93508 5.799098  -0.8387718     11.59820 
1 1 1 -16 22 9  o 16.94331 5.148907  4.414792       10.29781 
1 1 1 -16 22 10 o 28.04462 4.749340  -20.66037      9.498680 
1 1 1 -16 22 11 o 24.61253 5.074390  -9.324133      10.14878 
1 1 1 -16 22 12 o 16.82429 4.960620  4.745698       9.921241 
1 1 1 -16 22 13 o 15.84557 4.803313  -1.603806      9.606627 
1 1 1 -16 22 14 o 18.29971 4.935428  17.84813       9.870856 
1 1 1 -16 22 15 o 29.60132 4.851931  -5.910870      9.703862 
1 1 1 -16 22 16 o 22.84999 5.479199  -1.183559      10.95840 
1 1 1 -16 22 17 o 22.06214 5.087008  -22.63025      10.17402 
1 1 1 -16 22 18 o 14.68661 6.402796  ?              ?        
1 1 1 -16 22 19 x ?        ?         ?              ?        
1 1 1 -16 22 20 x ?        ?         ?              ?        
1 1 1 -16 22 21 x ?        ?         ?              ?        
1 1 1 -16 23 1  o 45.21397 4.473318  -2.546165      8.946636 
1 1 1 -16 23 2  o 21.40142 5.296110  -4.373583      10.59222 
1 1 1 -16 23 3  o 32.60344 5.045219  -18.43281      10.09044 
1 1 1 -16 23 4  f 43.56466 5.848900  ?              ?        
1 1 1 -16 23 5  o 31.22871 5.003526  12.38193       10.00705 
1 1 1 -16 23 6  o 43.56059 4.642491  -12.86283      9.284982 
1 1 1 -16 23 7  o 21.84121 4.990935  -4.184483      9.981870 
1 1 1 -16 23 8  o 18.30602 4.926135  1.616560       9.852269 
1 1 1 -16 23 9  o 14.05266 4.419738  -0.3195601     8.839477 
1 1 1 -16 23 10 f 17.67786 4.941085  -4.481206      9.882171 
1 1 1 -16 23 11 o 14.26937 4.423901  4.997663       8.847802 
1 1 1 -16 23 12 o 14.95255 4.357476  7.799661       8.714952 
1 1 1 -16 23 13 o 15.07672 4.216945  -6.957847      8.433890 
1 1 1 -16 23 14 o 30.73118 5.542585  -17.69183      11.08517 
1 1 1 -16 23 15 o 15.93101 4.973353  -4.884923      9.946706 
1 1 1 -16 23 16 x ?        ?         ?              ?        
1 1 1 -16 23 17 x ?        ?         ?              ?        
1 1 1 -16 23 18 x ?        ?         ?              ?        
1 1 1 -16 23 19 x ?        ?         ?              ?        
1 1 1 -16 24 1  o 37.66428 6.034414  ?              ?        
1 1 1 -16 24 2  o 32.06581 5.096176  14.29734       10.19235 
1 1 1 -16 24 3  o 42.97981 4.201015  -2.865322      8.402031 
1 1 1 -16 24 4  o 19.28215 4.993442  4.425936       9.986883 
1 1 1 -16 24 5  o 27.33498 4.674472  6.221138       9.348944 
1 1 1 -16 24 6  o 22.26115 5.017248  0.6595364      10.03450 
1 1 1 -16 24 7  o 28.73933 4.433159  3.298962       8.866319 
1 1 1 -16 24 8  f 16.59381 4.360030  9.105168       8.720060 
1 1 1 -16 24 9  o 16.14120 4.460294  -1.275445      8.920588 
1 1 1 -16 24 10 o 24.76353 4.590379  9.430613       9.180758 
1 1 1 -16 24 11 f 19.17770 5.337607  -4.267752      10.67521 
1 1 1 -16 24 12 o 16.49416 5.002030  -1.657928      10.00406 
1 1 1 -16 24 13 o 16.74946 6.862517  ?              ?        
1 1 1 -16 24 14 x ?        ?         ?              ?        
1 1 1 -16 24 15 x ?        ?         ?              ?        
1 1 1 -16 24 16 x ?        ?         ?              ?        
1 1 1 -16 24 17 x ?        ?         ?              ?        
1 1 1 -16 25 1  o 34.68289 6.377748  ?              ?        
1 1 1 -16 25 2  o 9.623952 4.697340  ?              ?        
1 1 1 -16 25 3  o 17.14524 4.866040  3.149624       9.732080 
1 1 1 -16 25 4  f 11.08048 3.707032  4.607835       7.414064 
1 1 1 -16 25 5  o 16.41705 3.775633  -14.05921      7.551266 
1 1 1 -16 25 6  o 13.19386 4.126861  1.169211       8.253721 
1 1 1 -16 25 7  o 15.95391 4.367736  7.628473       8.735472 
1 1 1 -16 25 8  o 26.12122 5.186747  12.55404       10.37349 
1 1 1 -16 25 9  o 10.61224 5.088280  ?              ?        
1 1 1 -16 25 10 o 19.10241 7.188427  ?              ?        
1 1 1 -16 25 11 x ?        ?         ?              ?        
1 1 1 -16 25 12 x ?        ?         ?              ?        
1 1 1 -16 25 13 x ?        ?         ?              ?        
1 1 1 -16 25 14 x ?        ?         ?              ?        
1 1 1 -16 26 1  o 13.94428 5.881408  ?              ?        
1 1 1 -16 26 2  o 12.05204 5.473807  ?              ?        
1 1 1 -16 26 3  o 23.99054 6.567760  ?              ?        
1 1 1 -16 26 4  o 12.15608 5.626406  ?              ?        
1 1 1 -16 26 5  o 15.30812 6.401095  ?              ?        
1 1 1 -16 26 6  o 25.35158 7.533342  ?              ?        
1 1 1 -16 26 7  o 11.59264 5.401708  ?              ?        
1 1 1 -16 26 8  x ?        ?         ?              ?        
1 1 1 -16 26 9  x ?        ?         ?              ?        
1 1 1 -15 0  1  o 129.7929 2.240702  -0.000000      0.000000 
1 1 1 -15 0  2  o 206.2914 3.033777  -0.000000      0.000000 
1 1 1 -15 0  3  o 50.75180 2.423661  -0.000000      0.000000 
1 1 1 -15 0  4  o 69.78382 2.083766  -0.000000      0.000000 
1 1 1 -15 0  5  o 145.7903 2.398929  0.000000       0.000000 
1 1 1 -15 0  6  o 91.76454 2.794313  -0.000000      0.000000 
1 1 1 -15 0  7  o 148.7247 2.439015  -0.000000      0.000000 
1 1 1 -15 0  8  o 171.6932 2.691128  0.000000       0.000000 
1 1 1 -15 0  9  x ?        ?         ?              ?        
1 1 1 -15 0  10 o 40.33585 3.009087  0.000000       0.000000 
1 1 1 -15 0  11 o 164.4009 2.660580  0.000000       0.000000 
1 1 1 -15 0  12 o 245.1132 3.552339  0.000000       0.000000 
1 1 1 -15 0  13 o 112.4452 3.537161  -0.000000      0.000000 
1 1 1 -15 0  14 o 61.88613 2.387777  -0.000000      0.000000 
1 1 1 -15 0  15 o 108.6685 2.993713  -0.000000      0.000000 
1 1 1 -15 0  16 o 155.1578 2.662211  -0.000000      0.000000 
1 1 1 -15 0  17 o 193.9675 3.049912  0.000000       0.000000 
1 1 1 -15 0  18 o 30.61466 3.974792  -0.000000      0.000000 
1 1 1 -15 0  19 o 95.88586 3.716875  0.000000       0.000000 
1 1 1 -15 0  20 o 49.82921 2.821068  0.000000       0.000000 
1 1 1 -15 0  21 o 12.82443 6.681984  -0.000000      0.000000 
1 1 1 -15 0  22 o 209.5860 3.352544  -0.000000      0.000000 
1 1 1 -15 0  23 o 121.5042 3.431624  -0.000000      0.000000 
1 1 1 -15 0  24 o 35.28756 4.188147  -0.000000      0.000000 
1 1 1 -15 0  25 o 43.34563 3.800985  0.000000       0.000000 
1 1 1 -15 0  26 o 41.25361 4.222768  0.000000       0.000000 
1 1 1 -15 0  27 o 13.00410 7.545633  0.000000       0.000000 
1 1 1 -15 0  28 f 51.57820 3.745823  0.000000       0.000000 
1 1 1 -15 0  29 o 68.78590 5.529127  -0.000000      0.000000 
1 1 1 -15 0  30 o 9.100456 6.051929  -0.000000      0.000000 
1 1 1 -15 0  31 o 17.36582 9.013643  0.000000       0.000000 
1 1 1 -15 0  32 o 48.76086 4.121714  -0.000000      0.000000 
1 1 1 -15 0  33 o 45.17311 4.217680  -0.000000      0.000000 
1 1 1 -15 0  34 o 33.45237 6.235884  -0.000000      0.000000 
1 1 1 -15 0  35 o 11.63170 7.072530  -0.000000      0.000000 
1 1 1 -15 0  36 o 12.97456 7.904598  -0.000000      0.000000 
1 1 1 -15 1  1  o 62.52518 1.563318  -1.068592      3.126636 
1 1 1 -15 1  2  o 185.1238 1.979003  0.8367310      3.958007 
1 1 1 -15 1  3  o 56.90696 3.918630  ?              ?        
1 1 1 -15 1  4  o 165.4333 1.836144  -4.195831      3.672288 
1 1 1 -15 1  5  o 185.1455 1.987226  10.16695       3.974452 
1 1 1 -15 1  6  o 124.3174 2.170275  8.516502       4.340551 
1 1 1 -15 1  7  o 147.2066 1.722337  -1.077179      3.444673 
1 1 1 -15 1  8  o 336.6402 3.281403  5.615417       6.562805 
1 1 1 -15 1  9  o 145.1500 2.570867  13.44341       5.141734 
1 1 1 -15 1  10 o 73.56419 1.590423  5.793976       3.180846 
1 1 1 -15 1  11 o 78.32300 1.556570  -3.613472      3.113141 
1 1 1 -15 1  12 o 52.80125 1.798472  -2.793732      3.596944 
1 1 1 -15 1  13 o 59.43273 2.736084  -4.575798      5.472168 
1 1 1 -15 1  14 o 93.66144 1.568757  3.548401       3.137515 
1 1 1 -15 1  15 o 151.2050 2.480834  8.525879       4.961668 
1 1 1 -15 1  16 o 49.11974 1.918127  1.295689       3.836253 
1 1 1 -15 1  17 o 120.4212 1.697771  9.443291       3.395543 
1 1 1 -15 1  18 o 40.55765 2.908009  9.761257       5.816018 
1 1 1 -15 1  19 o 35.35958 4.135501  -6.364296      8.271002 
1 1 1 -15 1  20 o 101.0021 1.708675  -4.134987      3.417349 
1 1 1 -15 1  21 o 78.75426 1.777017  -9.314423      3.554033 
1 1 1 -15 1  22 o 64.04586 1.933160  -2.963886      3.866320 
1 1 1 -15 1  23 f 151.8433 2.713900  2.815399       5.427800 
1 1 1 -15 1  24 o 29.78564 3.274505  3.849705       6.549011 
1 1 1 -15 1  25 o 94.49940 1.971372  -0.2882385E-01 3.942744 
1 1 1 -15 1  26 o 14.34589 3.974319  -7.681797      7.948638 
1 1 1 -15 1  27 o 76.82948 2.162569  6.204361       4.325138 
1 1 1 -15 1  28 f 37.91704 3.331450  2.772675       6.662900 
1 1 1 -15 1  29 o 42.96507 5.202503  19.29031       10.40501 
1 1 1 -15 1  30 o 34.42290 3.497032  -3.050510      6.994063 
1 1 1 -15 1  31 o 28.90798 4.739154  -14.60984      9.478308 
1 1 1 -15 1  32 o 45.29697 2.947896  4.122860       5.895791 
1 1 1 -15 1  33 o 22.36665 4.778792  -3.666706      9.557585 
1 1 1 -15 1  34 o 17.50458 4.161325  15.07679       8.322650 
1 1 1 -15 1  35 o 17.88923 4.622467  5.358398       9.244934 
1 1 1 -15 1  36 o 16.80516 4.526044  -12.66492      9.052088 
1 1 1 -15 2  1  o 159.5170 1.827310  -2.352798      3.654621 
1 1 1 -15 2  2  o 113.8422 1.569277  -3.192024      3.138554 
1 1 1 -15 2  3  o 152.5134 2.522282  -7.677490      5.044563 
1 1 1 -15 2  4  o 188.1273 2.039363  -8.235306      4.078726 
1 1 1 -15 2  5  o 174.7113 2.311707  -1.008453      4.623414 
1 1 1 -15 2  6  o 87.32813 1.548829  -4.833824      3.097657 
1 1 1 -15 2  7  o 269.7818 2.704429  -2.490112      5.408858 
1 1 1 -15 2  8  o 186.8359 2.053564  10.76678       4.107128 
1 1 1 -15 2  9  o 92.57589 2.353511  5.443253       4.707021 
1 1 1 -15 2  10 o 205.1776 2.194630  2.484604       4.389260 
1 1 1 -15 2  11 o 171.0605 1.941332  4.556671       3.882665 
1 1 1 -15 2  12 o 94.37612 1.607286  -10.02739      3.214573 
1 1 1 -15 2  13 o 124.6081 2.027294  -4.294930      4.054588 
1 1 1 -15 2  14 o 90.78717 1.602174  -3.563210      3.204348 
1 1 1 -15 2  15 o 116.8408 2.245847  -4.317574      4.491693 
1 1 1 -15 2  16 o 158.7767 1.923447  -11.63290      3.846894 
1 1 1 -15 2  17 o 53.63354 1.864905  -6.734619      3.729810 
1 1 1 -15 2  18 o 50.24582 2.527465  -1.063862      5.054930 
1 1 1 -15 2  19 o 91.63074 2.107991  -3.167183      4.215982 
1 1 1 -15 2  20 o 89.27023 1.702420  6.996643       3.404840 
1 1 1 -15 2  21 o 62.39957 2.974713  0.4289894      5.949427 
1 1 1 -15 2  22 o 65.20288 1.908921  3.083145       3.817843 
1 1 1 -15 2  23 o 34.97282 3.546386  10.44104       7.092772 
1 1 1 -15 2  24 o 114.5275 1.928228  0.4560699      3.856456 
1 1 1 -15 2  25 o 44.40055 2.661133  -3.751938      5.322267 
1 1 1 -15 2  26 o 69.38665 2.149027  4.601181       4.298053 
1 1 1 -15 2  27 o 29.94562 4.241783  -7.513235      8.483565 
1 1 1 -15 2  28 o 68.33560 3.086068  10.10446       6.172135 
1 1 1 -15 2  29 f 49.06516 4.690718  -1.968723      9.381435 
1 1 1 -15 2  30 o 14.42835 4.268182  0.9856834      8.536365 
1 1 1 -15 2  31 o 36.48047 4.019386  -19.75618      8.038773 
1 1 1 -15 2  32 o 50.14293 2.899903  -9.079895      5.799806 
1 1 1 -15 2  33 o 12.93750 4.061371  -0.2591600     8.122742 
1 1 1 -15 2  34 o 16.48685 4.589114  2.330400       9.178228 
1 1 1 -15 2  35 o 13.70172 4.170377  -7.153567      8.340755 
1 1 1 -15 2  36 o 23.00250 5.196374  4.446318       10.39275 
1 1 1 -15 3  1  o 217.8090 2.318168  -6.032288      4.636336 
1 1 1 -15 3  2  o 145.0768 4.006643  ?              ?        
1 1 1 -15 3  3  o 400.8279 4.654183  16.65057       9.308367 
1 1 1 -15 3  4  o 79.48788 1.722575  -5.068024      3.445151 
1 1 1 -15 3  5  o 160.8633 2.722287  -0.9739990     5.444574 
1 1 1 -15 3  6  o 69.00105 1.787768  2.681396       3.575536 
1 1 1 -15 3  7  o 73.92647 1.739693  3.699287       3.479387 
1 1 1 -15 3  8  o 136.5462 1.805080  6.958206       3.610159 
1 1 1 -15 3  9  o 174.9774 2.898160  -0.5272217     5.796320 
1 1 1 -15 3  10 o 217.5851 2.334496  -3.920929      4.668993 
1 1 1 -15 3  11 o 15.71599 3.989918  0.9565754      7.979836 
1 1 1 -15 3  12 o 175.1897 2.900568  -3.113190      5.801136 
1 1 1 -15 3  13 o 48.71107 2.070111  7.726509       4.140221 
1 1 1 -15 3  14 o 102.9120 1.971310  -0.6768036E-01 3.942619 
1 1 1 -15 3  15 o 31.31703 2.736147  1.159275       5.472295 
1 1 1 -15 3  16 o 38.71756 2.343715  2.639805       4.687429 
1 1 1 -15 3  17 o 139.6221 1.853982  12.80934       3.707965 
1 1 1 -15 3  18 o 54.80064 2.683974  -5.064693      5.367948 
1 1 1 -15 3  19 o 62.74767 2.297071  -0.5562401     4.594142 
1 1 1 -15 3  20 o 86.28812 1.801703  4.772865       3.603406 
1 1 1 -15 3  21 o 73.32310 2.905742  -4.210411      5.811484 
1 1 1 -15 3  22 o 23.99903 3.938660  9.156769       7.877320 
1 1 1 -15 3  23 o 123.8991 2.682458  4.534866       5.364915 
1 1 1 -15 3  24 o 93.83292 2.001989  0.6271057      4.003978 
1 1 1 -15 3  25 o 39.99686 3.027017  -1.636860      6.054033 
1 1 1 -15 3  26 f 34.15825 3.430341  5.477789       6.860681 
1 1 1 -15 3  27 o 13.91270 4.326509  2.980499       8.653019 
1 1 1 -15 3  28 o 25.70811 6.029442  -2.388645      12.05888 
1 1 1 -15 3  29 o 42.89442 5.125395  15.06833       10.25079 
1 1 1 -15 3  30 o 19.43791 4.531977  -6.635765      9.063954 
1 1 1 -15 3  31 o 59.45481 2.639875  -4.092201      5.279750 
1 1 1 -15 3  32 o 68.56734 2.494788  -6.408180      4.989576 
1 1 1 -15 3  33 o 53.71337 2.919381  -13.98219      5.838763 
1 1 1 -15 3  34 o 17.14103 4.603971  -6.947970      9.207942 
1 1 1 -15 3  35 o 18.81586 4.675737  -8.872903      9.351474 
1 1 1 -15 3  36 f 15.49458 4.745525  0.9158134      9.491051 
1 1 1 -15 4  1  o 95.63451 2.161425  5.248245       4.322850 
1 1 1 -15 4  2  o 71.24060 2.165862  6.806885       4.331723 
1 1 1 -15 4  3  o 300.7957 3.056914  -2.617981      6.113829 
1 1 1 -15 4  4  o 254.6110 3.257446  -4.850052      6.514891 
1 1 1 -15 4  5  o 94.73792 2.449991  2.635902       4.899982 
1 1 1 -15 4  6  o 108.1782 1.812475  -0.5864182     3.624951 
1 1 1 -15 4  7  o 67.87038 2.002851  0.1961517E-01  4.005702 
1 1 1 -15 4  8  f 58.09279 2.200990  -1.576107      4.401980 
1 1 1 -15 4  9  o 159.2791 2.043375  -3.354004      4.086749 
1 1 1 -15 4  10 o 53.47626 2.255564  -3.476669      4.511129 
1 1 1 -15 4  11 o 113.2201 1.822042  2.132957       3.644083 
1 1 1 -15 4  12 o 127.7826 2.635962  7.742615       5.271925 
1 1 1 -15 4  13 o 91.81390 1.815213  -4.594109      3.630425 
1 1 1 -15 4  14 o 116.2896 2.553864  -2.154762      5.107728 
1 1 1 -15 4  15 o 31.72502 2.931315  3.825087       5.862631 
1 1 1 -15 4  16 o 112.3916 1.806028  1.977524       3.612055 
1 1 1 -15 4  17 f 54.74319 2.083648  -6.600487      4.167296 
1 1 1 -15 4  18 o 57.10757 2.744721  11.62782       5.489443 
1 1 1 -15 4  19 o 79.72438 2.114851  -8.941055      4.229703 
1 1 1 -15 4  20 o 192.2523 2.282973  12.17474       4.565946 
1 1 1 -15 4  21 o 116.5125 2.780424  12.27011       5.560849 
1 1 1 -15 4  22 o 120.8008 1.933806  3.279694       3.867611 
1 1 1 -15 4  23 o 52.71230 2.652041  -2.197414      5.304081 
1 1 1 -15 4  24 o 73.22157 2.217922  -5.149643      4.435844 
1 1 1 -15 4  25 o 75.84761 2.282980  5.426392       4.565959 
1 1 1 -15 4  26 o 31.61782 4.013064  3.251766       8.026129 
1 1 1 -15 4  27 o 58.45404 2.687169  -6.258301      5.374339 
1 1 1 -15 4  28 o 27.83284 6.009338  1.400991       12.01868 
1 1 1 -15 4  29 o 43.88652 4.288070  9.742405       8.576139 
1 1 1 -15 4  30 o 32.91505 4.797495  -6.008799      9.594990 
1 1 1 -15 4  31 o 52.55175 2.787638  -4.057713      5.575275 
1 1 1 -15 4  32 o 15.55630 4.500515  -0.9955864     9.001030 
1 1 1 -15 4  33 o 23.90014 4.442617  -16.98477      8.885235 
1 1 1 -15 4  34 o 15.72668 4.635233  -5.022615      9.270467 
1 1 1 -15 4  35 o 32.05052 5.219378  -9.740057      10.43876 
1 1 1 -15 4  36 o 13.84882 4.417871  -3.412094      8.835742 
1 1 1 -15 5  1  o 195.1605 2.305336  -0.2677917E-01 4.610671 
1 1 1 -15 5  2  o 211.6877 2.908291  -0.8356628     5.816581 
1 1 1 -15 5  3  o 19.54237 4.907991  -1.470852      9.815983 
1 1 1 -15 5  4  o 258.8301 3.511849  -1.123718      7.023698 
1 1 1 -15 5  5  o 56.15839 2.334485  -5.207138      4.668969 
1 1 1 -15 5  6  o 152.7107 2.064489  -1.435272      4.128979 
1 1 1 -15 5  7  o 118.1162 1.938777  -1.805611      3.877554 
1 1 1 -15 5  8  o 69.43416 2.104787  2.375389       4.209574 
1 1 1 -15 5  9  o 50.05131 2.689372  -0.3177376     5.378745 
1 1 1 -15 5  10 o 105.6696 1.963098  8.853943       3.926196 
1 1 1 -15 5  11 o 144.4792 2.847556  6.737259       5.695113 
1 1 1 -15 5  12 o 55.57024 4.020736  ?              ?        
1 1 1 -15 5  13 o 93.43785 2.259701  6.934776       4.519401 
1 1 1 -15 5  14 o 152.9577 2.063033  -1.963806      4.126066 
1 1 1 -15 5  15 o 50.92337 2.284491  -4.103474      4.568982 
1 1 1 -15 5  16 o 84.61369 1.874475  5.660133       3.748950 
1 1 1 -15 5  17 o 157.5571 2.096614  0.9698639      4.193228 
1 1 1 -15 5  18 o 109.2651 2.454600  -7.325928      4.909200 
1 1 1 -15 5  19 o 17.61272 4.234417  11.41851       8.468835 
1 1 1 -15 5  20 o 57.88018 3.305406  -2.595451      6.610813 
1 1 1 -15 5  21 o 51.19294 2.600939  -4.435490      5.201878 
1 1 1 -15 5  22 o 99.76125 2.883086  15.63640       5.766173 
1 1 1 -15 5  23 o 83.20248 2.151296  -6.706184      4.302591 
1 1 1 -15 5  24 o 118.6668 2.111197  -9.448822      4.222394 
1 1 1 -15 5  25 o 79.03352 2.375886  1.584503       4.751772 
1 1 1 -15 5  26 f 35.60802 4.000557  -4.245838      8.001115 
1 1 1 -15 5  27 o 50.60365 3.432504  -4.456001      6.865008 
1 1 1 -15 5  28 o 17.38461 5.429362  4.976131       10.85872 
1 1 1 -15 5  29 o 19.43100 4.972689  0.2316151      9.945377 
1 1 1 -15 5  30 f 42.49242 4.809432  -17.04056      9.618864 
1 1 1 -15 5  31 o 22.08074 4.860655  -4.418222      9.721311 
1 1 1 -15 5  32 o 42.95053 3.338973  -9.400253      6.677946 
1 1 1 -15 5  33 o 14.28505 4.376437  -3.200284      8.752873 
1 1 1 -15 5  34 f 18.76059 4.902480  -2.200100      9.804960 
1 1 1 -15 5  35 o 15.08050 4.812021  -7.066640      9.624043 
1 1 1 -15 6  1  f 114.7477 2.766242  3.397842       5.532485 
1 1 1 -15 6  2  o 122.2806 2.429259  -9.881195      4.858518 
1 1 1 -15 6  3  f 34.98708 5.443510  -2.743591      10.88702 
1 1 1 -15 6  4  o 108.3503 2.059150  2.510147       4.118300 
1 1 1 -15 6  5  o 129.8856 2.069476  2.124649       4.138951 
1 1 1 -15 6  6  o 177.6467 2.279458  3.630951       4.558915 
1 1 1 -15 6  7  o 116.4751 2.033519  2.589668       4.067038 
1 1 1 -15 6  8  o 130.6254 2.052569  2.573929       4.105139 
1 1 1 -15 6  9  o 57.88434 2.532883  -5.496731      5.065766 
1 1 1 -15 6  10 o 54.35805 3.517277  -3.798653      7.034553 
1 1 1 -15 6  11 o 98.05334 2.286479  0.5090790      4.572957 
1 1 1 -15 6  12 o 83.31820 2.058449  6.297516       4.116899 
1 1 1 -15 6  13 o 58.12160 3.472850  -1.512440      6.945700 
1 1 1 -15 6  14 o 112.0808 2.336378  ?              ?        
1 1 1 -15 6  15 o 39.27753 2.812336  4.844368       5.624672 
1 1 1 -15 6  16 o 68.31704 3.613283  ?              ?        
1 1 1 -15 6  17 o 92.85843 2.064564  4.316307       4.129128 
1 1 1 -15 6  18 f 58.74393 2.951973  7.566769       5.903947 
1 1 1 -15 6  19 o 44.05249 2.826162  2.978546       5.652324 
1 1 1 -15 6  20 o 89.91669 2.867535  3.027344       5.735070 
1 1 1 -15 6  21 o 107.6920 2.067926  -8.226784      4.135852 
1 1 1 -15 6  22 o 36.97042 4.784795  9.827389       9.569590 
1 1 1 -15 6  23 o 75.58594 2.318320  1.561073       4.636639 
1 1 1 -15 6  24 o 24.75307 4.878221  4.311934       9.756442 
1 1 1 -15 6  25 o 48.59476 3.220231  -1.284801      6.440463 
1 1 1 -15 6  26 o 127.6005 2.271472  -8.127823      4.542943 
1 1 1 -15 6  27 o 60.97024 3.216928  -0.1029205E-01 6.433857 
1 1 1 -15 6  28 o 69.59163 4.104376  ?              ?        
1 1 1 -15 6  29 o 50.61611 2.972325  3.659870       5.944650 
1 1 1 -15 6  30 o 37.98576 4.409291  -17.02768      8.818582 
1 1 1 -15 6  31 o 13.79037 4.364694  -0.8464355     8.729387 
1 1 1 -15 6  32 o 53.72588 2.890844  -8.384151      5.781689 
1 1 1 -15 6  33 o 27.27605 4.725595  -13.30635      9.451189 
1 1 1 -15 6  34 o 18.23888 4.810956  3.337908       9.621911 
1 1 1 -15 6  35 o 18.69373 5.370403  1.145746       10.74081 
1 1 1 -15 7  1  o 141.3622 2.557255  -0.7751617     5.114511 
1 1 1 -15 7  2  o 191.8663 3.176431  ?              ?        
1 1 1 -15 7  3  o 115.6713 4.470966  ?              ?        
1 1 1 -15 7  4  f 12.90758 4.244657  3.039304       8.489313 
1 1 1 -15 7  5  o 173.8826 2.342254  7.689545       4.684508 
1 1 1 -15 7  6  o 94.23328 2.183934  0.3444977      4.367867 
1 1 1 -15 7  7  o 163.3236 2.279660  2.771866       4.559319 
1 1 1 -15 7  8  o 116.7979 2.130026  5.635719       4.260053 
1 1 1 -15 7  9  o 57.28417 3.011909  7.737469       6.023819 
1 1 1 -15 7  10 o 97.94071 3.082089  11.25983       6.164178 
1 1 1 -15 7  11 o 34.69500 3.749071  -9.749491      7.498142 
1 1 1 -15 7  12 o 48.77311 4.097194  -8.950432      8.194388 
1 1 1 -15 7  13 f 131.0706 2.123204  1.414795       4.246408 
1 1 1 -15 7  14 o 82.23045 2.138944  0.3944321      4.277887 
1 1 1 -15 7  15 o 39.77880 2.848087  12.84073       5.696173 
1 1 1 -15 7  16 o 135.2383 2.142684  5.197067       4.285368 
1 1 1 -15 7  17 o 90.15878 2.090947  2.436028       4.181893 
1 1 1 -15 7  18 o 89.45750 2.700552  -0.1981125     5.401105 
1 1 1 -15 7  19 o 71.02193 3.127115  2.129570       6.254230 
1 1 1 -15 7  20 o 61.78344 2.471957  -6.852287      4.943913 
1 1 1 -15 7  21 o 36.04284 5.316607  -8.431326      10.63321 
1 1 1 -15 7  22 o 42.73487 2.905027  14.42178       5.810053 
1 1 1 -15 7  23 f 53.36485 2.963198  -6.104336      5.926395 
1 1 1 -15 7  24 o 142.9887 2.358729  -8.113586      4.717458 
1 1 1 -15 7  25 o 68.15971 2.792756  -5.587006      5.585511 
1 1 1 -15 7  26 o 39.81705 3.964507  -1.486294      7.929014 
1 1 1 -15 7  27 o 27.31445 9.553676  ?              ?        
1 1 1 -15 7  28 o 47.26864 3.494617  -6.752598      6.989234 
1 1 1 -15 7  29 o 69.36099 3.820386  -0.8370895     7.640772 
1 1 1 -15 7  30 o 20.59508 5.152290  1.491497       10.30458 
1 1 1 -15 7  31 o 16.33315 4.699103  0.7261467E-01  9.398206 
1 1 1 -15 7  32 o 18.63319 4.851274  -4.376902      9.702548 
1 1 1 -15 7  33 o 18.46981 4.417368  -15.00913      8.834737 
1 1 1 -15 7  34 o 24.14111 5.810688  -2.356737      11.62138 
1 1 1 -15 7  35 o 16.35787 5.179652  -6.799208      10.35930 
1 1 1 -15 8  1  o 67.05849 3.027994  ?              ?        
1 1 1 -15 8  2  o 76.37415 2.767307  -0.6289597     5.534615 
1 1 1 -15 8  3  o 93.68929 2.620240  3.725090       5.240480 
1 1 1 -15 8  4  o 53.89102 3.219129  1.429287       6.438258 
1 1 1 -15 8  5  o 53.00947 2.883898  -0.8565636     5.767797 
1 1 1 -15 8  6  o 122.5651 2.240916  -5.757492      4.481833 
1 1 1 -15 8  7  o 87.74990 2.311550  -2.771362      4.623100 
1 1 1 -15 8  8  o 56.19957 3.649413  -15.68278      7.298826 
1 1 1 -15 8  9  o 162.5502 2.764726  4.501038       5.529453 
1 1 1 -15 8  10 o 142.8028 3.313374  2.515549       6.626748 
1 1 1 -15 8  11 o 149.8209 3.361006  -2.579651      6.722012 
1 1 1 -15 8  12 o 92.06924 2.218093  -2.958572      4.436186 
1 1 1 -15 8  13 o 49.37408 2.748035  -5.743530      5.496071 
1 1 1 -15 8  14 o 55.25419 2.691794  -10.59861      5.383588 
1 1 1 -15 8  15 o 166.0408 2.350038  7.379623       4.700077 
1 1 1 -15 8  16 o 51.18156 2.856353  -13.59436      5.712705 
1 1 1 -15 8  17 o 138.4691 2.268941  -3.326263      4.537882 
1 1 1 -15 8  18 f 48.03907 4.117203  -15.86557      8.234406 
1 1 1 -15 8  19 f 50.52282 3.015001  1.449543       6.030001 
1 1 1 -15 8  20 o 71.43772 2.728987  -0.7017822     5.457975 
1 1 1 -15 8  21 o 61.49181 2.885228  3.072269       5.770455 
1 1 1 -15 8  22 o 67.16806 2.562943  3.910210       5.125885 
1 1 1 -15 8  23 o 88.86499 2.414850  -1.154686      4.829700 
1 1 1 -15 8  24 o 24.87501 4.698427  -8.158913      9.396854 
1 1 1 -15 8  25 o 58.94006 3.010655  1.559689       6.021310 
1 1 1 -15 8  26 f 67.53152 2.867583  -8.919895      5.735167 
1 1 1 -15 8  27 o 20.68370 5.656550  -2.496593      11.31310 
1 1 1 -15 8  28 o 28.49831 5.192838  -9.259295      10.38568 
1 1 1 -15 8  29 o 69.93544 3.147598  -18.59315      6.295196 
1 1 1 -15 8  30 f 25.40309 4.405388  -15.80583      8.810777 
1 1 1 -15 8  31 o 34.04459 4.067901  -28.15524      8.135802 
1 1 1 -15 8  32 o 29.72282 4.458720  -18.59070      8.917440 
1 1 1 -15 8  33 o 11.93215 5.441462  ?              ?        
1 1 1 -15 8  34 f 15.78429 5.022482  -0.8201704     10.04496 
1 1 1 -15 9  1  o 210.4145 3.157415  -2.619141      6.314829 
1 1 1 -15 9  2  o 48.49553 3.487868  3.460350       6.975736 
1 1 1 -15 9  3  o 90.56279 2.683866  -6.142929      5.367731 
1 1 1 -15 9  4  o 152.5718 2.778095  0.1743011      5.556191 
1 1 1 -15 9  5  o 39.25854 4.196361  -1.093765      8.392721 
1 1 1 -15 9  6  o 115.1343 2.679019  -0.5009766     5.358038 
1 1 1 -15 9  7  o 99.13779 2.916991  -1.207283      5.833982 
1 1 1 -15 9  8  o 46.22263 3.774140  1.328995       7.548281 
1 1 1 -15 9  9  o 139.7370 2.813242  -5.882156      5.626485 
1 1 1 -15 9  10 f 184.5157 3.380698  11.57599       6.761396 
1 1 1 -15 9  11 o 36.42993 3.839030  -1.558395      7.678061 
1 1 1 -15 9  12 f 63.70787 2.586044  -5.339027      5.172087 
1 1 1 -15 9  13 o 181.6461 2.481612  -4.250229      4.963223 
1 1 1 -15 9  14 o 68.12914 2.507709  0.3466415      5.015417 
1 1 1 -15 9  15 o 76.49024 2.332173  -1.872559      4.664346 
1 1 1 -15 9  16 o 106.4268 2.241096  2.750069       4.482191 
1 1 1 -15 9  17 o 26.09462 4.514381  3.607851       9.028762 
1 1 1 -15 9  18 o 48.04307 3.715948  -5.218983      7.431895 
1 1 1 -15 9  19 o 57.05348 3.084002  2.735573       6.168003 
1 1 1 -15 9  20 o 49.72451 5.475532  ?              ?        
1 1 1 -15 9  21 o 53.55111 3.268465  0.7973633      6.536931 
1 1 1 -15 9  22 o 44.38965 3.399506  6.465794       6.799012 
1 1 1 -15 9  23 o 42.18024 4.355108  -15.89387      8.710217 
1 1 1 -15 9  24 o 90.56406 2.591168  -2.067276      5.182335 
1 1 1 -15 9  25 f 71.31125 2.832107  4.200050       5.664213 
1 1 1 -15 9  26 o 52.77172 5.045202  -13.73658      10.09040 
1 1 1 -15 9  27 o 50.30560 3.329324  -3.918571      6.658648 
1 1 1 -15 9  28 o 42.03859 4.509569  -0.8542595     9.019137 
1 1 1 -15 9  29 o 61.94338 4.575006  ?              ?        
1 1 1 -15 9  30 o 19.85142 4.249628  -14.86493      8.499256 
1 1 1 -15 9  31 o 16.70615 4.464046  -8.166578      8.928091 
1 1 1 -15 9  32 f 19.75712 5.017683  -4.583122      10.03537 
1 1 1 -15 9  33 o 16.85381 5.324922  -6.890735      10.64984 
1 1 1 -15 9  34 o 27.31463 6.477962  -24.10931      12.95592 
1 1 1 -15 10 1  o 85.64738 2.765423  1.031868       5.530845 
1 1 1 -15 10 2  o 64.85494 3.115020  -2.294422      6.230040 
1 1 1 -15 10 3  o 116.6156 2.705895  -6.016724      5.411789 
1 1 1 -15 10 4  o 130.8111 2.751371  -1.450531      5.502743 
1 1 1 -15 10 5  o 59.38120 3.168996  6.423084       6.337992 
1 1 1 -15 10 6  o 126.6681 3.208057  8.390121       6.416114 
1 1 1 -15 10 7  o 38.13506 4.736478  -11.27623      9.472956 
1 1 1 -15 10 8  o 64.96301 3.532732  -4.044739      7.065464 
1 1 1 -15 10 9  o 77.57314 3.035084  ?              ?        
1 1 1 -15 10 10 o 81.21158 2.471336  0.7704773      4.942672 
1 1 1 -15 10 11 o 85.58951 2.457016  -5.740501      4.914032 
1 1 1 -15 10 12 o 54.34143 2.841110  -6.583443      5.682221 
1 1 1 -15 10 13 o 118.0106 2.320474  -0.1564102     4.640949 
1 1 1 -15 10 14 o 157.8535 2.440661  -8.868759      4.881322 
1 1 1 -15 10 15 o 70.48891 2.454608  4.181091       4.909217 
1 1 1 -15 10 16 o 64.93408 4.595487  ?              ?        
1 1 1 -15 10 17 o 48.06411 3.517759  -1.383644      7.035519 
1 1 1 -15 10 18 o 91.74107 3.054084  1.218338       6.108168 
1 1 1 -15 10 19 x ?        ?         ?              ?        
1 1 1 -15 10 20 o 76.02802 2.990754  5.286125       5.981508 
1 1 1 -15 10 21 o 16.40809 4.978697  1.808725       9.957394 
1 1 1 -15 10 22 o 40.66789 4.516932  -1.624901      9.033863 
1 1 1 -15 10 23 o 74.96838 2.958570  -12.56939      5.917140 
1 1 1 -15 10 24 o 14.81849 4.783506  4.894275       9.567012 
1 1 1 -15 10 25 o 57.66618 3.658600  -6.847202      7.317200 
1 1 1 -15 10 26 o 47.44104 3.836808  -7.353542      7.673617 
1 1 1 -15 10 27 o 47.61387 5.389958  -11.12398      10.77992 
1 1 1 -15 10 28 o 34.00454 4.469762  -20.30370      8.939524 
1 1 1 -15 10 29 o 18.58903 4.919074  0.7479782      9.838148 
1 1 1 -15 10 30 o 25.31555 7.038913  ?              ?        
1 1 1 -15 10 31 o 10.55557 5.051222  ?              ?        
1 1 1 -15 10 32 o 22.98493 5.928378  -7.196556      11.85676 
1 1 1 -15 10 33 o 20.32945 5.955446  -15.23327      11.91089 
1 1 1 -15 10 34 x ?        ?         ?              ?        
1 1 1 -15 11 1  o 138.1942 2.786772  -4.827591      5.573544 
1 1 1 -15 11 2  o 52.36225 3.706369  -8.159119      7.412739 
1 1 1 -15 11 3  o 18.73319 7.662499  ?              ?        
1 1 1 -15 11 4  o 27.42669 5.252318  1.502974       10.50464 
1 1 1 -15 11 5  o 94.56586 3.396923  1.584579       6.793845 
1 1 1 -15 11 6  o 107.4434 3.204242  13.58546       6.408484 
1 1 1 -15 11 7  o 77.34502 3.008098  3.644653       6.016197 
1 1 1 -15 11 8  o 181.1872 3.427864  ?              ?        
1 1 1 -15 11 9  o 33.68130 4.872805  5.752949       9.745609 
1 1 1 -15 11 10 o 152.1440 2.975446  -2.368759      5.950893 
1 1 1 -15 11 11 o 68.50776 3.212416  -1.625549      6.424831 
1 1 1 -15 11 12 o 125.4347 2.408840  -9.204704      4.817679 
1 1 1 -15 11 13 o 37.69731 3.897198  -8.744518      7.794396 
1 1 1 -15 11 14 o 74.04796 2.657452  -2.864189      5.314904 
1 1 1 -15 11 15 o 63.21026 3.162719  9.392750       6.325437 
1 1 1 -15 11 16 o 87.85464 2.544043  0.7063293      5.088085 
1 1 1 -15 11 17 o 85.19579 3.292310  -17.85608      6.584620 
1 1 1 -15 11 18 x ?        ?         ?              ?        
1 1 1 -15 11 19 o 50.45843 5.004458  -8.934471      10.00892 
1 1 1 -15 11 20 o 108.7079 2.896573  -2.493263      5.793145 
1 1 1 -15 11 21 o 120.0412 3.003531  -17.07974      6.007061 
1 1 1 -15 11 22 o 47.92531 3.946694  3.369793       7.893388 
1 1 1 -15 11 23 o 28.45548 5.193161  20.73427       10.38632 
1 1 1 -15 11 24 o 22.39907 5.775903  0.3610897      11.55181 
1 1 1 -15 11 25 o 39.25577 5.579027  -18.95519      11.15805 
1 1 1 -15 11 26 o 24.20526 5.651065  -0.8681450     11.30213 
1 1 1 -15 11 27 o 57.49814 3.071837  -4.232681      6.143675 
1 1 1 -15 11 28 o 35.15362 4.125910  -2.283722      8.251820 
1 1 1 -15 11 29 o 32.01133 4.295586  -20.41979      8.591172 
1 1 1 -15 11 30 o 17.87423 4.587427  -8.147144      9.174854 
1 1 1 -15 11 31 o 16.69243 4.852550  -4.383533      9.705100 
1 1 1 -15 11 32 o 25.38745 5.703670  -19.44705      11.40734 
1 1 1 -15 11 33 o 23.68931 9.905607  ?              ?        
1 1 1 -15 12 1  o 137.8698 2.914101  9.408493       5.828202 
1 1 1 -15 12 2  o 42.40695 4.193886  -7.132320      8.387773 
1 1 1 -15 12 3  o 56.07507 4.280133  -0.5721970     8.560266 
1 1 1 -15 12 4  o 131.4945 3.286033  7.057159       6.572066 
1 1 1 -15 12 5  o 103.8012 2.885642  1.842133       5.771284 
1 1 1 -15 12 6  o 20.59113 6.687984  ?              ?        
1 1 1 -15 12 7  o 114.5768 2.913960  1.167107       5.827920 
1 1 1 -15 12 8  o 63.42056 3.341341  0.9928017      6.682682 
1 1 1 -15 12 9  o 76.00983 3.170626  -2.077957      6.341252 
1 1 1 -15 12 10 o 58.10260 3.442632  4.244286       6.885264 
1 1 1 -15 12 11 o 52.19535 3.732496  -4.760593      7.464992 
1 1 1 -15 12 12 o 92.23284 5.168669  ?              ?        
1 1 1 -15 12 13 o 40.63281 4.385497  1.348209       8.770993 
1 1 1 -15 12 14 o 111.8912 3.363544  2.755997       6.727087 
1 1 1 -15 12 15 o 24.68086 5.083266  2.233557       10.16653 
1 1 1 -15 12 16 f 119.5804 3.522910  -4.168785      7.045821 
1 1 1 -15 12 17 o 47.95249 4.834184  3.532112       9.668367 
1 1 1 -15 12 18 o 96.18590 3.625277  5.659935       7.250554 
1 1 1 -15 12 19 o 35.24262 6.261517  6.744783       12.52303 
1 1 1 -15 12 20 f 62.41976 3.661849  -6.518787      7.323699 
1 1 1 -15 12 21 o 23.80744 5.960121  -1.957382      11.92024 
1 1 1 -15 12 22 o 55.61898 3.804795  4.014793       7.609590 
1 1 1 -15 12 23 o 61.36562 3.412522  0.2303047      6.825044 
1 1 1 -15 12 24 o 55.44512 4.442252  -8.033901      8.884504 
1 1 1 -15 12 25 o 45.42077 5.443545  9.928768       10.88709 
1 1 1 -15 12 26 o 47.82019 4.277263  -11.54886      8.554525 
1 1 1 -15 12 27 o 21.15399 4.613013  -6.954185      9.226027 
1 1 1 -15 12 28 o 22.78457 3.757369  -19.51185      7.514738 
1 1 1 -15 12 29 o 16.88991 4.438456  -7.215233      8.876912 
1 1 1 -15 12 30 o 34.40545 3.973114  -17.63816      7.946229 
1 1 1 -15 12 31 o 17.90405 5.193506  -13.48387      10.38701 
1 1 1 -15 12 32 o 17.71484 8.063981  ?              ?        
1 1 1 -15 13 1  o 80.59071 4.824462  ?              ?        
1 1 1 -15 13 2  o 98.25025 2.992960  -12.29056      5.985920 
1 1 1 -15 13 3  o 32.20132 5.050088  7.606058       10.10018 
1 1 1 -15 13 4  o 39.71565 4.955091  ?              ?        
1 1 1 -15 13 5  o 177.2227 3.296508  -1.499985      6.593017 
1 1 1 -15 13 6  o 57.78841 3.581128  2.002041       7.162257 
1 1 1 -15 13 7  o 109.3437 3.048004  9.298203       6.096007 
1 1 1 -15 13 8  o 90.98380 3.038399  8.395576       6.076799 
1 1 1 -15 13 9  o 43.88824 4.055199  8.830784       8.110397 
1 1 1 -15 13 10 o 131.0650 3.066909  5.254028       6.133818 
1 1 1 -15 13 11 o 22.94147 5.661227  7.464699       11.32245 
1 1 1 -15 13 12 o 38.62464 4.800808  -2.254559      9.601617 
1 1 1 -15 13 13 o 25.70670 6.015679  11.24856       12.03136 
1 1 1 -15 13 14 o 58.24709 3.521528  11.54132       7.043056 
1 1 1 -15 13 15 o 58.27048 5.251566  ?              ?        
1 1 1 -15 13 16 o 21.83268 5.789150  13.67321       11.57830 
1 1 1 -15 13 17 o 43.26412 5.382173  -5.872917      10.76435 
1 1 1 -15 13 18 o 25.74461 6.120377  -9.048437      12.24075 
1 1 1 -15 13 19 o 102.5673 3.748891  -5.198425      7.497783 
1 1 1 -15 13 20 o 59.51805 3.907178  -2.736156      7.814356 
1 1 1 -15 13 21 o 87.83337 3.468989  -7.433685      6.937978 
1 1 1 -15 13 22 o 33.50851 5.933893  9.119064       11.86779 
1 1 1 -15 13 23 o 131.1091 3.268193  -6.984856      6.536386 
1 1 1 -15 13 24 o 24.08686 6.371311  4.015562       12.74262 
1 1 1 -15 13 25 o 30.42447 5.875425  -10.28505      11.75085 
1 1 1 -15 13 26 o 17.47225 6.421820  ?              ?        
1 1 1 -15 13 27 f 14.70864 4.396951  -2.574361      8.793901 
1 1 1 -15 13 28 o 16.84110 6.857464  ?              ?        
1 1 1 -15 13 29 o 15.37621 4.518504  0.7707644      9.037007 
1 1 1 -15 13 30 o 16.53702 4.579663  6.713817       9.159327 
1 1 1 -15 13 31 o 20.28003 5.602432  -4.549284      11.20486 
1 1 1 -15 13 32 x ?        ?         ?              ?        
1 1 1 -15 14 1  o 53.97155 3.927651  -11.48654      7.855301 
1 1 1 -15 14 2  o 156.9023 3.614071  ?              ?        
1 1 1 -15 14 3  o 66.07565 3.422962  2.486847       6.845923 
1 1 1 -15 14 4  o 77.50562 3.208725  -3.444046      6.417449 
1 1 1 -15 14 5  o 115.3240 3.078388  -1.362251      6.156777 
1 1 1 -15 14 6  o 104.0390 3.149194  5.691422       6.298388 
1 1 1 -15 14 7  o 22.97398 5.481622  10.78047       10.96324 
1 1 1 -15 14 8  o 15.25641 4.837738  4.553159       9.675475 
1 1 1 -15 14 9  o 47.15064 4.472536  -7.624855      8.945071 
1 1 1 -15 14 10 o 43.34104 4.909163  -7.394726      9.818327 
1 1 1 -15 14 11 o 47.22198 5.597265  17.77359       11.19453 
1 1 1 -15 14 12 o 121.9814 3.187139  0.7200165      6.374278 
1 1 1 -15 14 13 o 74.61055 3.870367  12.10103       7.740733 
1 1 1 -15 14 14 o 79.45505 3.660409  ?              ?        
1 1 1 -15 14 15 o 83.93567 3.627201  -7.952293      7.254403 
1 1 1 -15 14 16 o 70.78508 4.304501  -2.413483      8.609001 
1 1 1 -15 14 17 o 42.47383 5.896274  -2.464836      11.79255 
1 1 1 -15 14 18 o 42.07304 6.022443  -27.71612      12.04489 
1 1 1 -15 14 19 o 32.20664 6.817552  0.9982738      13.63510 
1 1 1 -15 14 20 o 27.54109 6.741741  -2.993496      13.48348 
1 1 1 -15 14 21 o 97.17236 4.082981  -9.662277      8.165962 
1 1 1 -15 14 22 o 89.20325 3.896629  -2.410339      7.793259 
1 1 1 -15 14 23 o 33.39690 5.720517  38.44598       11.44103 
1 1 1 -15 14 24 f 31.53387 4.795944  -5.533501      9.591887 
1 1 1 -15 14 25 o 24.58511 4.967799  -2.066021      9.935597 
1 1 1 -15 14 26 o 41.54753 4.358990  -4.128151      8.717980 
1 1 1 -15 14 27 o 17.09254 4.741242  0.7649517      9.482485 
1 1 1 -15 14 28 o 39.03923 3.863248  -19.59389      7.726497 
1 1 1 -15 14 29 o 16.18551 4.795671  4.047303       9.591343 
1 1 1 -15 14 30 o 37.39499 5.097187  -16.85201      10.19437 
1 1 1 -15 14 31 x ?        ?         ?              ?        
1 1 1 -15 15 1  o 88.12193 3.212592  6.461723       6.425185 
1 1 1 -15 15 2  o 120.8560 3.206697  0.6225281      6.413393 
1 1 1 -15 15 3  o 53.10867 4.123636  -4.098755      8.247272 
1 1 1 -15 15 4  o 89.89539 3.234603  4.419487       6.469205 
1 1 1 -15 15 5  o 88.75247 3.195314  -0.4348984     6.390627 
1 1 1 -15 15 6  o 122.6895 3.171867  4.208076       6.343735 
1 1 1 -15 15 7  o 113.7492 3.158922  -1.703758      6.317845 
1 1 1 -15 15 8  o 49.16714 4.238640  3.999027       8.477280 
1 1 1 -15 15 9  o 54.09525 4.215895  -11.55529      8.431789 
1 1 1 -15 15 10 o 44.27467 5.726606  -6.697773      11.45321 
1 1 1 -15 15 11 x ?        ?         ?              ?        
1 1 1 -15 15 12 o 35.03005 6.384486  ?              ?        
1 1 1 -15 15 13 o 87.88489 3.507423  13.82095       7.014845 
1 1 1 -15 15 14 o 78.04567 3.736101  -12.26522      7.472201 
1 1 1 -15 15 15 o 38.80546 5.569887  -9.311455      11.13977 
1 1 1 -15 15 16 o 77.23453 4.400397  5.827606       8.800795 
1 1 1 -15 15 17 o 67.67079 4.577089  8.660301       9.154179 
1 1 1 -15 15 18 f 83.83499 4.439446  -3.215912      8.878892 
1 1 1 -15 15 19 o 46.17170 5.763372  8.426727       11.52674 
1 1 1 -15 15 20 o 70.20296 4.469719  -3.525139      8.939438 
1 1 1 -15 15 21 o 19.42251 6.006013  7.666134       12.01203 
1 1 1 -15 15 22 x ?        ?         ?              ?        
1 1 1 -15 15 23 o 33.60082 5.379134  -4.091532      10.75827 
1 1 1 -15 15 24 o 44.53957 4.268629  7.043941       8.537257 
1 1 1 -15 15 25 o 24.22285 4.950886  -9.066860      9.901772 
1 1 1 -15 15 26 o 24.53116 4.945779  -20.41208      9.891558 
1 1 1 -15 15 27 o 25.18732 5.137521  -5.581823      10.27504 
1 1 1 -15 15 28 o 14.11889 4.603956  2.252493       9.207912 
1 1 1 -15 15 29 o 16.40660 4.905894  4.936597       9.811789 
1 1 1 -15 15 30 x ?        ?         ?              ?        
1 1 1 -15 16 1  o 100.8473 3.298778  9.752075       6.597555 
1 1 1 -15 16 2  o 55.55780 4.057188  17.39997       8.114375 
1 1 1 -15 16 3  o 72.35315 3.621819  9.462273       7.243638 
1 1 1 -15 16 4  o 38.91925 5.225432  8.500736       10.45086 
1 1 1 -15 16 5  o 52.18723 4.401350  -7.730537      8.802701 
1 1 1 -15 16 6  o 87.25696 3.399360  0.3723221      6.798721 
1 1 1 -15 16 7  o 30.20628 6.534812  -17.36983      13.06962 
1 1 1 -15 16 8  o 71.83769 6.037161  ?              ?        
1 1 1 -15 16 9  o 17.43265 5.491651  -1.367943      10.98330 
1 1 1 -15 16 10 o 60.46369 4.385876  ?              ?        
1 1 1 -15 16 11 o 76.47710 4.145441  ?              ?        
1 1 1 -15 16 12 o 40.60079 5.523770  -4.417366      11.04754 
1 1 1 -15 16 13 o 81.69434 3.667405  1.753212       7.334811 
1 1 1 -15 16 14 o 54.87082 4.811073  -0.1375618     9.622146 
1 1 1 -15 16 15 f 67.99213 4.357111  -4.119522      8.714221 
1 1 1 -15 16 16 f 20.29027 6.301863  3.635107       12.60373 
1 1 1 -15 16 17 o 99.41701 4.295267  -10.18565      8.590534 
1 1 1 -15 16 18 o 57.23871 5.617890  -13.49902      11.23578 
1 1 1 -15 16 19 f 81.97276 4.161837  -7.029778      8.323674 
1 1 1 -15 16 20 o 18.08695 5.706283  2.047770       11.41257 
1 1 1 -15 16 21 o 24.94599 9.838758  ?              ?        
1 1 1 -15 16 22 o 52.73480 5.211274  -9.777401      10.42255 
1 1 1 -15 16 23 o 54.59897 4.210834  -13.00013      8.421668 
1 1 1 -15 16 24 f 17.21491 5.006339  0.9708843      10.01268 
1 1 1 -15 16 25 o 20.30944 5.023667  -0.8756256     10.04733 
1 1 1 -15 16 26 o 32.25603 4.520476  -18.24883      9.040952 
1 1 1 -15 16 27 o 33.44593 4.836635  -26.22968      9.673269 
1 1 1 -15 16 28 o 19.68881 5.559745  0.8667355      11.11949 
1 1 1 -15 16 29 x ?        ?         ?              ?        
1 1 1 -15 16 30 x ?        ?         ?              ?        
1 1 1 -15 17 1  o 18.40733 5.702039  -2.234852      11.40408 
1 1 1 -15 17 2  o 122.7133 3.304509  1.367622       6.609018 
1 1 1 -15 17 3  o 33.04888 5.764651  -14.59450      11.52930 
1 1 1 -15 17 4  o 44.83975 4.790350  5.967598       9.580700 
1 1 1 -15 17 5  o 71.93061 4.775085  1.767548       9.550170 
1 1 1 -15 17 6  o 130.9107 3.780120  -8.312675      7.560240 
1 1 1 -15 17 7  o 94.48489 3.492920  -2.449089      6.985840 
1 1 1 -15 17 8  o 34.78460 8.690823  ?              ?        
1 1 1 -15 17 9  o 13.93200 4.658555  -1.385626      9.317110 
1 1 1 -15 17 10 o 86.00615 3.683776  2.874001       7.367553 
1 1 1 -15 17 11 f 90.97297 3.628440  3.744217       7.256879 
1 1 1 -15 17 12 o 74.87305 4.054606  -3.466568      8.109213 
1 1 1 -15 17 13 o 44.72071 5.716323  -7.390041      11.43265 
1 1 1 -15 17 14 o 26.40709 6.591240  0.7418156      13.18248 
1 1 1 -15 17 15 o 42.36427 5.981730  -13.38175      11.96346 
1 1 1 -15 17 16 o 65.00140 4.870683  8.114777       9.741366 
1 1 1 -15 17 17 f 24.93278 6.747704  9.543751       13.49541 
1 1 1 -15 17 18 o 56.72440 5.269073  -9.594105      10.53815 
1 1 1 -15 17 19 x ?        ?         ?              ?        
1 1 1 -15 17 20 o 45.56043 5.608453  -1.297642      11.21691 
1 1 1 -15 17 21 o 22.00848 6.002124  -1.907202      12.00425 
1 1 1 -15 17 22 o 16.49976 5.051855  -5.819520      10.10371 
1 1 1 -15 17 23 o 41.12364 4.707993  -2.422050      9.415986 
1 1 1 -15 17 24 o 53.67084 3.575279  -18.36375      7.150558 
1 1 1 -15 17 25 o 18.83802 4.929336  1.054359       9.858671 
1 1 1 -15 17 26 o 38.34650 4.461372  -16.32819      8.922744 
1 1 1 -15 17 27 o 10.42966 5.215952  ?              ?        
1 1 1 -15 17 28 x ?        ?         ?              ?        
1 1 1 -15 17 29 x ?        ?         ?              ?        
1 1 1 -15 18 1  o 91.68053 3.877467  -6.766167      7.754934 
1 1 1 -15 18 2  o 35.96760 10.02315  ?              ?        
1 1 1 -15 18 3  o 22.08953 6.141931  -8.287308      12.28386 
1 1 1 -15 18 4  o 106.5600 3.447432  -2.207329      6.894865 
1 1 1 -15 18 5  o 78.45430 4.115135  4.356689       8.230270 
1 1 1 -15 18 6  o 35.48825 7.518322  ?              ?        
1 1 1 -15 18 7  f 24.17952 6.374991  4.403372       12.74998 
1 1 1 -15 18 8  o 29.17759 6.280738  -15.55793      12.56148 
1 1 1 -15 18 9  o 81.11305 3.901119  0.4640350      7.802238 
1 1 1 -15 18 10 o 50.95150 4.653703  -2.237804      9.307405 
1 1 1 -15 18 11 o 35.37083 6.401110  -1.726826      12.80222 
1 1 1 -15 18 12 f 53.40709 5.134375  -12.00624      10.26875 
1 1 1 -15 18 13 o 27.59247 6.562622  17.06355       13.12524 
1 1 1 -15 18 14 o 36.20648 6.039447  -9.496933      12.07889 
1 1 1 -15 18 15 o 63.44905 4.924893  -11.49124      9.849787 
1 1 1 -15 18 16 o 55.98977 5.660230  -8.108170      11.32046 
1 1 1 -15 18 17 x ?        ?         ?              ?        
1 1 1 -15 18 18 o 19.58684 5.936204  -2.408564      11.87241 
1 1 1 -15 18 19 o 57.78374 5.008657  -1.544655      10.01731 
1 1 1 -15 18 20 o 21.75221 6.098599  3.422783       12.19720 
1 1 1 -15 18 21 o 26.78154 5.984685  -0.3143291     11.96937 
1 1 1 -15 18 22 o 25.59569 5.789230  7.081894       11.57846 
1 1 1 -15 18 23 o 55.42659 3.679315  -26.84822      7.358631 
1 1 1 -15 18 24 o 33.52724 4.856353  -19.11087      9.712707 
1 1 1 -15 18 25 o 25.08597 5.374418  -12.94169      10.74884 
1 1 1 -15 18 26 o 20.38426 8.183578  ?              ?        
1 1 1 -15 18 27 x ?        ?         ?              ?        
1 1 1 -15 18 28 x ?        ?         ?              ?        
1 1 1 -15 19 1  o 88.41725 3.982463  3.273209       7.964927 
1 1 1 -15 19 2  o 55.55646 6.481311  ?              ?        
1 1 1 -15 19 3  o 48.12033 7.061572  ?              ?        
1 1 1 -15 19 4  o 65.82114 4.112033  14.04831       8.224066 
1 1 1 -15 19 5  o 29.52914 6.506319  14.43042       13.01264 
1 1 1 -15 19 6  o 63.93198 4.288480  16.75081       8.576960 
1 1 1 -15 19 7  o 31.41117 6.674381  9.282816       13.34876 
1 1 1 -15 19 8  o 73.30693 4.645995  -4.367752      9.291989 
1 1 1 -15 19 9  o 60.72182 4.650031  2.124031       9.300061 
1 1 1 -15 19 10 o 13.90546 4.789426  1.988049       9.578853 
1 1 1 -15 19 11 o 43.56239 6.059813  -19.16459      12.11963 
1 1 1 -15 19 12 o 75.90689 4.203405  -6.778671      8.406811 
1 1 1 -15 19 13 o 21.22976 6.370714  -7.923759      12.74143 
1 1 1 -15 19 14 o 46.28645 5.661091  -18.23781      11.32218 
1 1 1 -15 19 15 o 45.50053 5.827550  -18.48105      11.65510 
1 1 1 -15 19 16 o 50.94053 5.519063  0.2662239      11.03813 
1 1 1 -15 19 17 o 58.68797 4.814972  -8.418034      9.629945 
1 1 1 -15 19 18 o 30.02243 6.245991  -7.425541      12.49198 
1 1 1 -15 19 19 o 17.79947 5.421174  -1.654413      10.84235 
1 1 1 -15 19 20 o 34.11782 5.960847  -8.395739      11.92169 
1 1 1 -15 19 21 o 36.17420 5.164250  -13.32681      10.32850 
1 1 1 -15 19 22 o 19.46585 5.205116  -12.57574      10.41023 
1 1 1 -15 19 23 o 12.84494 4.270026  -2.540481      8.540051 
1 1 1 -15 19 24 o 22.34711 5.465902  -11.90452      10.93180 
1 1 1 -15 19 25 x ?        ?         ?              ?        
1 1 1 -15 19 26 x ?        ?         ?              ?        
1 1 1 -15 20 1  o 18.57538 5.750945  -2.590664      11.50189 
1 1 1 -15 20 2  o 27.71774 6.674512  4.495171       13.34902 
1 1 1 -15 20 3  o 46.70269 5.609375  -2.815098      11.21875 
1 1 1 -15 20 4  o 16.59153 5.231995  -2.723811      10.46399 
1 1 1 -15 20 5  o 95.93019 3.660788  -0.6360626     7.321577 
1 1 1 -15 20 6  o 20.30262 5.783620  -5.888256      11.56724 
1 1 1 -15 20 7  o 22.84590 6.291717  -2.065952      12.58343 
1 1 1 -15 20 8  o 31.66845 6.686939  18.20645       13.37388 
1 1 1 -15 20 9  o 36.51466 6.338867  2.555996       12.67773 
1 1 1 -15 20 10 o 30.22021 6.572640  6.779549       13.14528 
1 1 1 -15 20 11 f 72.10797 4.889031  -6.658043      9.778062 
1 1 1 -15 20 12 o 36.87419 10.01893  ?              ?        
1 1 1 -15 20 13 o 16.92747 7.664852  ?              ?        
1 1 1 -15 20 14 o 42.30129 5.383748  -12.48315      10.76750 
1 1 1 -15 20 15 o 67.22832 3.822348  -0.4705353     7.644695 
1 1 1 -15 20 16 o 70.97293 3.757444  -11.81983      7.514887 
1 1 1 -15 20 17 o 20.71913 5.787545  -5.949337      11.57509 
1 1 1 -15 20 18 o 22.10110 5.642606  -12.45269      11.28521 
1 1 1 -15 20 19 o 17.03745 5.046964  1.740000       10.09393 
1 1 1 -15 20 20 o 33.78074 5.376654  -6.010527      10.75331 
1 1 1 -15 20 21 o 14.65000 4.689110  -0.9024048     9.378221 
1 1 1 -15 20 22 o 14.99901 4.668179  -7.014623      9.336357 
1 1 1 -15 20 23 x ?        ?         ?              ?        
1 1 1 -15 20 24 x ?        ?         ?              ?        
1 1 1 -15 20 25 x ?        ?         ?              ?        
1 1 1 -15 21 1  o 63.77990 4.164381  -3.843616      8.328762 
1 1 1 -15 21 2  f 30.01288 6.443769  5.701221       12.88754 
1 1 1 -15 21 3  o 63.25932 4.541180  -7.404617      9.082360 
1 1 1 -15 21 4  o 62.29115 4.527371  1.353531       9.054743 
1 1 1 -15 21 5  o 37.71931 5.753323  4.270901       11.50665 
1 1 1 -15 21 6  o 28.34495 5.777813  -12.55780      11.55563 
1 1 1 -15 21 7  o 17.11912 5.324620  0.2359905      10.64924 
1 1 1 -15 21 8  o 73.83746 6.537381  ?              ?        
1 1 1 -15 21 9  o 24.16978 6.488806  5.101469       12.97761 
1 1 1 -15 21 10 o 73.46447 4.610868  -24.23502      9.221736 
1 1 1 -15 21 11 o 49.98889 5.124301  ?              ?        
1 1 1 -15 21 12 o 30.15611 9.631806  ?              ?        
1 1 1 -15 21 13 o 18.73613 5.349647  0.5050526      10.69929 
1 1 1 -15 21 14 o 29.77504 5.433146  2.927935       10.86629 
1 1 1 -15 21 15 o 14.48918 4.602991  -0.1707363     9.205981 
1 1 1 -15 21 16 o 23.48728 5.536834  5.279182       11.07367 
1 1 1 -15 21 17 o 23.54288 5.850537  0.1696224      11.70107 
1 1 1 -15 21 18 o 19.84489 5.287383  9.178656       10.57477 
1 1 1 -15 21 19 o 40.25673 5.064501  -0.9281845     10.12900 
1 1 1 -15 21 20 o 27.67717 5.845124  -8.439138      11.69025 
1 1 1 -15 21 21 o 14.28528 6.605303  ?              ?        
1 1 1 -15 21 22 x ?        ?         ?              ?        
1 1 1 -15 21 23 x ?        ?         ?              ?        
1 1 1 -15 21 24 x ?        ?         ?              ?        
1 1 1 -15 22 1  f 39.44504 5.281105  -5.893299      10.56221 
1 1 1 -15 22 2  o 62.02193 4.203756  11.99346       8.407513 
1 1 1 -15 22 3  o 26.14664 6.251033  -7.033718      12.50207 
1 1 1 -15 22 4  o 67.16911 4.107741  2.388557       8.215483 
1 1 1 -15 22 5  o 39.44022 9.224946  ?              ?        
1 1 1 -15 22 6  o 16.25051 5.185047  4.943041       10.37009 
1 1 1 -15 22 7  o 64.59215 3.810250  5.908516       7.620499 
1 1 1 -15 22 8  o 62.34534 5.737308  ?              ?        
1 1 1 -15 22 9  o 42.64458 4.862345  -0.9236984     9.724689 
1 1 1 -15 22 10 o 28.51234 5.800510  5.307524       11.60102 
1 1 1 -15 22 11 o 13.65292 4.451632  1.063095       8.903264 
1 1 1 -15 22 12 o 38.05129 5.038755  -15.70157      10.07751 
1 1 1 -15 22 13 o 20.12125 5.367441  0.7168770E-01  10.73488 
1 1 1 -15 22 14 o 32.62777 4.868486  6.499220       9.736972 
1 1 1 -15 22 15 o 16.57660 4.892551  2.717734       9.785103 
1 1 1 -15 22 16 o 18.14731 4.626728  -9.524570      9.253455 
1 1 1 -15 22 17 o 37.52216 5.239780  -4.172211      10.47956 
1 1 1 -15 22 18 o 12.95617 4.219609  1.292061       8.439218 
1 1 1 -15 22 19 x ?        ?         ?              ?        
1 1 1 -15 22 20 x ?        ?         ?              ?        
1 1 1 -15 22 21 x ?        ?         ?              ?        
1 1 1 -15 22 22 x ?        ?         ?              ?        
1 1 1 -15 23 1  f 39.76978 7.726508  ?              ?        
1 1 1 -15 23 2  o 30.25991 5.995259  5.645712       11.99052 
1 1 1 -15 23 3  o 39.03815 5.552086  7.147495       11.10417 
1 1 1 -15 23 4  o 37.84621 5.583546  4.753914       11.16709 
1 1 1 -15 23 5  o 65.98351 5.214692  ?              ?        
1 1 1 -15 23 6  o 21.10155 5.387382  1.042694       10.77476 
1 1 1 -15 23 7  o 18.75683 5.149304  10.23633       10.29861 
1 1 1 -15 23 8  o 11.18237 3.860012  4.064514       7.720023 
1 1 1 -15 23 9  o 28.97385 5.308990  1.303288       10.61798 
1 1 1 -15 23 10 o 42.98744 3.991053  5.551243       7.982105 
1 1 1 -15 23 11 o 17.05421 5.077591  2.954014       10.15518 
1 1 1 -15 23 12 o 14.44911 4.578389  6.006220       9.156777 
1 1 1 -15 23 13 o 16.92417 4.842326  0.2671566      9.684652 
1 1 1 -15 23 14 o 26.95653 4.421956  -14.86496      8.843911 
1 1 1 -15 23 15 o 30.26422 5.215056  12.82399       10.43011 
1 1 1 -15 23 16 o 18.25898 4.917554  9.160476       9.835109 
1 1 1 -15 23 17 x ?        ?         ?              ?        
1 1 1 -15 23 18 x ?        ?         ?              ?        
1 1 1 -15 23 19 x ?        ?         ?              ?        
1 1 1 -15 23 20 x ?        ?         ?              ?        
1 1 1 -15 24 1  o 58.01044 4.927220  ?              ?        
1 1 1 -15 24 2  o 35.95493 4.935143  3.368176       9.870286 
1 1 1 -15 24 3  f 28.26168 5.240403  -9.279556      10.48081 
1 1 1 -15 24 4  o 20.45720 5.378323  -0.9060211     10.75665 
1 1 1 -15 24 5  o 21.06319 5.362253  4.295927       10.72451 
1 1 1 -15 24 6  o 35.85699 4.368409  -5.858250      8.736817 
1 1 1 -15 24 7  o 23.95159 5.239967  -1.205441      10.47993 
1 1 1 -15 24 8  f 13.89352 4.438318  -0.3719110     8.876636 
1 1 1 -15 24 9  o 21.87090 6.484601  ?              ?        
1 1 1 -15 24 10 o 20.85690 4.721925  3.070856       9.443851 
1 1 1 -15 24 11 o 15.14392 4.090074  -10.20936      8.180148 
1 1 1 -15 24 12 o 20.64486 5.439850  2.646307       10.87970 
1 1 1 -15 24 13 o 34.99813 5.373160  -7.767305      10.74632 
1 1 1 -15 24 14 o 19.35961 7.265763  ?              ?        
1 1 1 -15 24 15 x ?        ?         ?              ?        
1 1 1 -15 24 16 x ?        ?         ?              ?        
1 1 1 -15 24 17 x ?        ?         ?              ?        
1 1 1 -15 24 18 x ?        ?         ?              ?        
1 1 1 -15 25 1  o 59.38125 4.747748  ?              ?        
1 1 1 -15 25 2  o 14.71866 6.407451  ?              ?        
1 1 1 -15 25 3  o 35.22699 4.818977  1.761703       9.637955 
1 1 1 -15 25 4  o 27.48214 5.178977  -0.1107063     10.35795 
1 1 1 -15 25 5  o 35.95417 4.832866  -13.34753      9.665732 
1 1 1 -15 25 6  o 37.99415 4.474626  -6.373592      8.949251 
1 1 1 -15 25 7  o 16.72754 4.287611  14.41738       8.575221 
1 1 1 -15 25 8  o 24.56421 4.997928  -6.084826      9.995855 
1 1 1 -15 25 9  o 25.83258 5.767594  -5.994764      11.53519 
1 1 1 -15 25 10 o 23.37381 7.039801  ?              ?        
1 1 1 -15 25 11 o 13.00393 5.815202  ?              ?        
1 1 1 -15 25 12 x ?        ?         ?              ?        
1 1 1 -15 25 13 x ?        ?         ?              ?        
1 1 1 -15 25 14 x ?        ?         ?              ?        
1 1 1 -15 25 15 x ?        ?         ?              ?        
1 1 1 -15 26 1  o 13.14542 5.773302  ?              ?        
1 1 1 -15 26 2  o 17.18863 6.382969  ?              ?        
1 1 1 -15 26 3  o 14.04633 6.107040  ?              ?        
1 1 1 -15 26 4  o 12.42561 4.022749  -0.1564226     8.045499 
1 1 1 -15 26 5  o 14.21106 6.383075  ?              ?        
1 1 1 -15 26 6  o 22.27954 7.321842  ?              ?        
1 1 1 -15 26 7  o 21.45360 7.459852  ?              ?        
1 1 1 -15 26 8  o 26.03389 7.142942  ?              ?        
1 1 1 -15 26 9  x ?        ?         ?              ?        
1 1 1 -15 26 10 x ?        ?         ?              ?        
1 1 1 -15 26 11 x ?        ?         ?              ?        
1 1 1 -15 26 12 x ?        ?         ?              ?        
1 1 1 -14 0  1  o 143.9360 2.306700  -0.000000      0.000000 
1 1 1 -14 0  2  o 447.3993 6.015636  0.000000       0.000000 
1 1 1 -14 0  3  o 383.9001 5.197406  -0.000000      0.000000 
1 1 1 -14 0  4  f 257.9662 3.612816  0.000000       0.000000 
1 1 1 -14 0  5  o 15.71476 5.578399  -0.000000      0.000000 
1 1 1 -14 0  6  o 91.01653 1.954225  0.000000       0.000000 
1 1 1 -14 0  7  o 230.3817 4.635162  0.000000       0.000000 
1 1 1 -14 0  8  o 28.15392 5.741605  -0.000000      0.000000 
1 1 1 -14 0  9  o 398.8538 5.416823  0.000000       0.000000 
1 1 1 -14 0  10 o 14.88812 6.262763  0.000000       0.000000 
1 1 1 -14 0  11 o 150.8351 2.483741  -0.000000      0.000000 
1 1 1 -14 0  12 o 375.9517 5.144511  -0.000000      0.000000 
1 1 1 -14 0  13 o 256.4782 3.678795  0.000000       0.000000 
1 1 1 -14 0  14 o 278.0449 5.688803  0.000000       0.000000 
1 1 1 -14 0  15 o 94.48357 2.231131  -0.000000      0.000000 
1 1 1 -14 0  16 o 76.49793 2.843486  -0.000000      0.000000 
1 1 1 -14 0  17 o 173.2512 4.158545  -0.000000      0.000000 
1 1 1 -14 0  18 o 31.48916 3.721112  -0.000000      0.000000 
1 1 1 -14 0  19 o 13.57088 6.471278  -0.000000      0.000000 
1 1 1 -14 0  20 o 149.1382 2.681389  -0.000000      0.000000 
1 1 1 -14 0  21 o 89.25823 2.438686  0.000000       0.000000 
1 1 1 -14 0  22 o 81.10149 2.526084  -0.000000      0.000000 
1 1 1 -14 0  23 o 204.2430 3.315570  -0.000000      0.000000 
1 1 1 -14 0  24 o 84.84361 3.312264  -0.000000      0.000000 
1 1 1 -14 0  25 o 64.58816 2.897700  0.000000       0.000000 
1 1 1 -14 0  26 o 9.638754 6.234615  -0.000000      0.000000 
1 1 1 -14 0  27 o 40.67677 4.240254  -0.000000      0.000000 
1 1 1 -14 0  28 o 47.07238 4.033619  -0.000000      0.000000 
1 1 1 -14 0  29 o 6.363902 4.642705  0.000000       0.000000 
1 1 1 -14 0  30 o 13.41652 8.622031  -0.000000      0.000000 
1 1 1 -14 0  31 o 49.65364 3.960023  -0.000000      0.000000 
1 1 1 -14 0  32 o 65.45518 4.525291  0.000000       0.000000 
1 1 1 -14 0  33 o 41.91682 4.453979  0.000000       0.000000 
1 1 1 -14 0  34 o 55.05323 3.767581  -0.000000      0.000000 
1 1 1 -14 0  35 o 8.366224 5.752710  -0.000000      0.000000 
1 1 1 -14 0  36 o 16.02675 7.732166  0.000000       0.000000 
1 1 1 -14 1  1  o 369.8820 3.547243  -5.226807      7.094486 
1 1 1 -14 1  2  x ?        ?         ?              ?        
1 1 1 -14 1  3  o 56.06313 1.465119  -0.2042122     2.930238 
1 1 1 -14 1  4  f 205.4331 2.671194  7.392960       5.342389 
1 1 1 -14 1  5  o 154.0413 1.710696  5.005142       3.421391 
1 1 1 -14 1  6  o 147.0924 1.679611  5.083038       3.359223 
1 1 1 -14 1  7  f 260.5534 3.650263  -1.721069      7.300526 
1 1 1 -14 1  8  o 76.88954 2.035013  5.676033       4.070027 
1 1 1 -14 1  9  o 121.9084 2.056553  ?              ?        
1 1 1 -14 1  10 o 399.4095 3.841542  -12.45804      7.683084 
1 1 1 -14 1  11 o 153.5249 1.783497  -0.8827972     3.566995 
1 1 1 -14 1  12 o 81.26269 1.533644  -1.065231      3.067288 
1 1 1 -14 1  13 o 104.0714 1.563457  3.815697       3.126914 
1 1 1 -14 1  14 o 158.8824 2.730837  -4.877502      5.461675 
1 1 1 -14 1  15 o 62.04875 2.139753  ?              ?        
1 1 1 -14 1  16 o 106.3755 2.100111  0.2797394      4.200222 
1 1 1 -14 1  17 o 52.74763 3.074713  -5.214581      6.149425 
1 1 1 -14 1  18 f 112.7798 2.059718  8.888100       4.119435 
1 1 1 -14 1  19 o 75.73084 1.625817  -0.6143188     3.251635 
1 1 1 -14 1  20 o 88.61596 1.670643  -1.225967      3.341287 
1 1 1 -14 1  21 o 77.09096 1.727077  -2.293663      3.454154 
1 1 1 -14 1  22 o 87.47285 2.713129  -2.610970      5.426259 
1 1 1 -14 1  23 o 139.1825 1.934616  0.9181213E-01  3.869233 
1 1 1 -14 1  24 o 63.65151 2.447577  -5.276108      4.895154 
1 1 1 -14 1  25 o 40.70506 2.632993  3.075397       5.265986 
1 1 1 -14 1  26 o 40.67906 2.830278  1.774529       5.660557 
1 1 1 -14 1  27 o 106.9046 2.061443  1.611778       4.122886 
1 1 1 -14 1  28 o 72.93704 2.258295  -0.5145187     4.516590 
1 1 1 -14 1  29 o 34.88551 3.531773  -2.709839      7.063546 
1 1 1 -14 1  30 o 53.50311 4.208891  -7.753963      8.417782 
1 1 1 -14 1  31 o 22.23011 4.441558  9.516790       8.883116 
1 1 1 -14 1  32 o 47.33153 3.234236  7.400402       6.468472 
1 1 1 -14 1  33 o 39.41295 3.283908  -11.56810      6.567817 
1 1 1 -14 1  34 f 26.63934 4.333693  5.906393       8.667386 
1 1 1 -14 1  35 o 27.30854 4.335992  -0.9809837     8.671985 
1 1 1 -14 1  36 o 17.35654 4.093994  10.63115       8.187987 
1 1 1 -14 2  1  o 177.9276 1.930315  12.64543       3.860629 
1 1 1 -14 2  2  o 125.1607 1.570748  -9.416641      3.141495 
1 1 1 -14 2  3  o 326.4741 3.183512  14.37592       6.367024 
1 1 1 -14 2  4  o 80.12965 2.102162  -11.22193      4.204324 
1 1 1 -14 2  5  f 110.9240 1.505137  0.8951645      3.010274 
1 1 1 -14 2  6  o 99.30349 1.708772  -0.5748749     3.417545 
1 1 1 -14 2  7  o 126.0467 1.627744  2.250885       3.255487 
1 1 1 -14 2  8  o 65.08740 2.193512  3.934029       4.387024 
1 1 1 -14 2  9  o 292.0859 2.898098  6.296112       5.796197 
1 1 1 -14 2  10 o 129.3947 1.667022  5.891197       3.334044 
1 1 1 -14 2  11 o 290.6315 2.885652  3.389252       5.771303 
1 1 1 -14 2  12 o 208.6962 2.212249  7.051895       4.424499 
1 1 1 -14 2  13 o 100.2213 1.605108  4.376778       3.210216 
1 1 1 -14 2  14 o 121.9482 1.712906  -0.7575989     3.425811 
1 1 1 -14 2  15 o 163.3293 1.913958  -6.311569      3.827915 
1 1 1 -14 2  16 o 122.6785 2.288454  -0.5241394E-02 4.576909 
1 1 1 -14 2  17 o 102.2210 2.513586  3.121071       5.027172 
1 1 1 -14 2  18 o 67.04388 2.152525  -3.972031      4.305049 
1 1 1 -14 2  19 o 83.70644 1.637287  2.727432       3.274575 
1 1 1 -14 2  20 o 40.99782 2.172711  3.789501       4.345422 
1 1 1 -14 2  21 o 83.58806 1.727565  3.775215       3.455130 
1 1 1 -14 2  22 o 99.88844 2.809087  -6.548164      5.618174 
1 1 1 -14 2  23 o 17.95557 3.921627  -4.515106      7.843254 
1 1 1 -14 2  24 o 65.98543 2.478498  -2.921501      4.956996 
1 1 1 -14 2  25 o 30.10668 3.605048  -4.943430      7.210095 
1 1 1 -14 2  26 o 30.32796 3.609822  -0.6181107     7.219644 
1 1 1 -14 2  27 o 36.88333 3.180793  4.325455       6.361585 
1 1 1 -14 2  28 o 75.47079 2.182937  -2.244164      4.365873 
1 1 1 -14 2  29 o 38.71791 3.227141  12.33807       6.454282 
1 1 1 -14 2  30 o 46.86504 4.634503  -4.281521      9.269007 
1 1 1 -14 2  31 o 19.20560 4.661176  4.527702       9.322351 
1 1 1 -14 2  32 o 48.42053 2.866472  -5.845074      5.732944 
1 1 1 -14 2  33 o 32.97803 3.811574  -14.14580      7.623147 
1 1 1 -14 2  34 o 18.71479 4.484016  7.828517       8.968033 
1 1 1 -14 2  35 o 17.43825 4.408611  -10.20459      8.817222 
1 1 1 -14 2  36 o 23.73189 4.211494  -16.87029      8.422989 
1 1 1 -14 3  1  f 331.9050 3.264534  1.194275       6.529067 
1 1 1 -14 3  2  o 130.8207 1.710452  -2.888763      3.420903 
1 1 1 -14 3  3  o 322.3751 3.907631  -1.307587      7.815262 
1 1 1 -14 3  4  o 211.6020 2.748675  -7.079025      5.497350 
1 1 1 -14 3  5  o 200.5546 2.177979  8.203110       4.355958 
1 1 1 -14 3  6  o 62.66816 2.473317  2.898151       4.946635 
1 1 1 -14 3  7  o 176.7048 2.013418  -2.605911      4.026836 
1 1 1 -14 3  8  o 47.29956 2.654922  6.471897       5.309844 
1 1 1 -14 3  9  o 311.7392 3.106322  -6.785583      6.212645 
1 1 1 -14 3  10 o 62.43476 1.858146  -3.966545      3.716292 
1 1 1 -14 3  11 o 148.0580 1.857162  -0.6822205E-01 3.714324 
1 1 1 -14 3  12 f 173.2525 2.011626  -3.104889      4.023253 
1 1 1 -14 3  13 o 202.1632 3.163803  1.935059       6.327605 
1 1 1 -14 3  14 f 47.76373 2.171021  -1.657112      4.342042 
1 1 1 -14 3  15 o 100.2772 1.996187  4.691200       3.992375 
1 1 1 -14 3  16 o 94.68248 1.724632  -3.212990      3.449264 
1 1 1 -14 3  17 o 146.2787 2.455451  2.166626       4.910901 
1 1 1 -14 3  18 o 92.08334 2.004059  0.3684464      4.008117 
1 1 1 -14 3  19 o 66.88701 1.798401  -6.086800      3.596801 
1 1 1 -14 3  20 f 37.51545 2.386292  5.388279       4.772583 
1 1 1 -14 3  21 o 47.40091 2.191648  -2.406075      4.383296 
1 1 1 -14 3  22 o 62.28478 3.122124  -2.371067      6.244248 
1 1 1 -14 3  23 o 38.77622 2.885570  -7.229687      5.771140 
1 1 1 -14 3  24 o 50.24839 3.146917  -11.32983      6.293834 
1 1 1 -14 3  25 o 28.30267 3.782211  14.17507       7.564422 
1 1 1 -14 3  26 o 62.65110 2.383157  -3.364594      4.766314 
1 1 1 -14 3  27 o 21.99375 4.828649  6.998791       9.657298 
1 1 1 -14 3  28 o 19.73287 6.026282  ?              ?        
1 1 1 -14 3  29 o 19.32817 4.840051  5.938761       9.680101 
1 1 1 -14 3  30 o 28.40439 5.834604  -11.62748      11.66921 
1 1 1 -14 3  31 o 20.78835 5.175969  1.681171       10.35194 
1 1 1 -14 3  32 o 14.67718 4.344175  6.095828       8.688350 
1 1 1 -14 3  33 o 18.09042 4.662256  0.5483761      9.324512 
1 1 1 -14 3  34 o 25.10392 4.082303  -17.73342      8.164605 
1 1 1 -14 3  35 o 12.56922 3.962866  -0.5836487     7.925732 
1 1 1 -14 3  36 o 19.04463 5.084271  -3.631584      10.16854 
1 1 1 -14 4  1  o 84.88148 1.790561  -8.595520      3.581122 
1 1 1 -14 4  2  o 500.3261 4.848446  29.99951       9.696892 
1 1 1 -14 4  3  o 164.3536 2.340961  13.39676       4.681922 
1 1 1 -14 4  4  o 116.2754 1.779158  -1.606331      3.558316 
1 1 1 -14 4  5  o 212.1068 2.803354  2.052887       5.606708 
1 1 1 -14 4  6  o 206.0483 2.903314  1.034332       5.806628 
1 1 1 -14 4  7  o 79.19125 2.106369  ?              ?        
1 1 1 -14 4  8  o 171.6189 2.115362  3.536179       4.230724 
1 1 1 -14 4  9  o 115.8303 1.831748  0.3996124      3.663497 
1 1 1 -14 4  10 o 295.5699 3.011606  -5.824371      6.023212 
1 1 1 -14 4  11 o 127.8288 1.865948  -4.724525      3.731897 
1 1 1 -14 4  12 o 175.1000 2.104377  -2.229401      4.208754 
1 1 1 -14 4  13 o 69.03905 2.664874  6.003197       5.329748 
1 1 1 -14 4  14 f 18.49023 4.128654  -0.6710167     8.257309 
1 1 1 -14 4  15 o 90.07233 2.492775  2.153648       4.985550 
1 1 1 -14 4  16 o 106.6031 1.803884  4.792122       3.607769 
1 1 1 -14 4  17 f 146.2346 2.610100  3.999649       5.220199 
1 1 1 -14 4  18 o 54.34074 2.383373  -7.931614      4.766746 
1 1 1 -14 4  19 o 85.91911 1.819739  3.186226       3.639479 
1 1 1 -14 4  20 o 51.70835 2.204109  0.2234039      4.408218 
1 1 1 -14 4  21 o 47.87762 2.246348  5.189758       4.492696 
1 1 1 -14 4  22 o 40.66509 4.454428  -16.63338      8.908856 
1 1 1 -14 4  23 o 53.42505 2.337719  -3.354778      4.675437 
1 1 1 -14 4  24 o 71.43874 2.357085  -6.449341      4.714171 
1 1 1 -14 4  25 o 81.05055 2.118066  -0.8427277     4.236132 
1 1 1 -14 4  26 o 12.81391 4.107146  -2.305936      8.214293 
1 1 1 -14 4  27 o 69.94926 2.967975  2.890373       5.935950 
1 1 1 -14 4  28 o 31.55741 4.290915  -7.765081      8.581831 
1 1 1 -14 4  29 f 22.33996 4.893955  -1.908726      9.787910 
1 1 1 -14 4  30 o 21.54428 4.933899  3.491817       9.867798 
1 1 1 -14 4  31 o 22.52997 4.406895  -18.64924      8.813789 
1 1 1 -14 4  32 o 60.43317 2.706573  -16.69303      5.413146 
1 1 1 -14 4  33 o 35.39771 3.507437  -2.160244      7.014875 
1 1 1 -14 4  34 o 11.30176 3.773172  -2.172641      7.546345 
1 1 1 -14 4  35 o 32.75805 3.978319  -13.23427      7.956638 
1 1 1 -14 4  36 o 16.21304 4.810100  -1.206975      9.620200 
1 1 1 -14 5  1  o 70.39582 2.429128  6.227905       4.858256 
1 1 1 -14 5  2  o 328.1202 3.333429  8.533112       6.666859 
1 1 1 -14 5  3  o 276.8926 3.535626  -3.867340      7.071252 
1 1 1 -14 5  4  o 144.6519 2.346752  4.896286       4.693504 
1 1 1 -14 5  5  o 151.9592 2.608224  -3.013779      5.216448 
1 1 1 -14 5  6  o 19.65340 4.511062  -2.027021      9.022123 
1 1 1 -14 5  7  o 184.5689 2.239332  2.783722       4.478663 
1 1 1 -14 5  8  o 110.6672 1.960435  4.419365       3.920870 
1 1 1 -14 5  9  o 310.0256 3.183435  0.5721741      6.366869 
1 1 1 -14 5  10 o 212.4542 2.423137  -1.184998      4.846274 
1 1 1 -14 5  11 o 102.5633 1.953943  -4.267105      3.907886 
1 1 1 -14 5  12 o 249.2534 3.830616  17.03720       7.661231 
1 1 1 -14 5  13 o 150.6506 2.046287  6.730042       4.092574 
1 1 1 -14 5  14 o 114.9111 1.934065  -3.107605      3.868130 
1 1 1 -14 5  15 o 105.4243 1.892397  1.244499       3.784794 
1 1 1 -14 5  16 o 210.6500 2.414014  5.134094       4.828028 
1 1 1 -14 5  17 o 86.99336 2.620657  -2.762199      5.241314 
1 1 1 -14 5  18 o 21.24513 4.313158  6.723984       8.626315 
1 1 1 -14 5  19 o 81.38086 1.955457  -4.191124      3.910914 
1 1 1 -14 5  20 o 94.35060 1.960312  -2.010468      3.920624 
1 1 1 -14 5  21 o 51.58863 3.762522  -17.69260      7.525045 
1 1 1 -14 5  22 o 122.5722 2.024638  -3.475899      4.049276 
1 1 1 -14 5  23 o 39.23689 4.409089  -5.350410      8.818178 
1 1 1 -14 5  24 f 61.90498 2.310233  5.342014       4.620465 
1 1 1 -14 5  25 o 67.53849 2.326198  8.857136       4.652395 
1 1 1 -14 5  26 o 60.04700 3.961664  0.3089447      7.923327 
1 1 1 -14 5  27 o 57.55796 3.978103  -10.84055      7.956205 
1 1 1 -14 5  28 o 23.57677 4.969264  2.277897       9.938527 
1 1 1 -14 5  29 o 32.40897 6.213167  9.429470       12.42633 
1 1 1 -14 5  30 o 76.31210 2.504612  -16.13863      5.009225 
1 1 1 -14 5  31 o 47.36190 3.592781  -11.93435      7.185562 
1 1 1 -14 5  32 o 20.69725 4.207124  -16.15200      8.414248 
1 1 1 -14 5  33 o 48.98520 3.160033  -23.41114      6.320065 
1 1 1 -14 5  34 o 46.80015 3.037403  -22.37320      6.074807 
1 1 1 -14 5  35 f 49.63037 4.856937  ?              ?        
1 1 1 -14 5  36 o 15.81760 4.853333  -4.140529      9.706665 
1 1 1 -14 6  1  o 84.69479 2.482489  1.673927       4.964977 
1 1 1 -14 6  2  f 58.30357 2.987406  -10.94110      5.974812 
1 1 1 -14 6  3  o 255.7994 3.320624  12.58165       6.641249 
1 1 1 -14 6  4  o 199.1811 3.086879  -5.226166      6.173759 
1 1 1 -14 6  5  o 242.8215 2.694863  3.232910       5.389725 
1 1 1 -14 6  6  o 127.4997 2.070839  1.084999       4.141678 
1 1 1 -14 6  7  o 304.2657 3.187043  4.604004       6.374086 
1 1 1 -14 6  8  o 84.88200 2.110179  7.190590       4.220358 
1 1 1 -14 6  9  o 45.39998 3.059859  -1.770538      6.119717 
1 1 1 -14 6  10 o 227.7398 2.594758  7.048035       5.189516 
1 1 1 -14 6  11 o 110.7533 2.546912  -10.90820      5.093824 
1 1 1 -14 6  12 o 108.6875 2.293507  -1.379776      4.587014 
1 1 1 -14 6  13 o 79.54214 2.065709  -2.612717      4.131419 
1 1 1 -14 6  14 o 24.38345 5.473039  5.382767       10.94608 
1 1 1 -14 6  15 o 165.6332 2.189423  3.713943       4.378846 
1 1 1 -14 6  16 o 88.71327 2.025875  2.455116       4.051749 
1 1 1 -14 6  17 o 154.7118 2.738631  0.5995941      5.477262 
1 1 1 -14 6  18 o 74.37449 2.307628  4.667740       4.615257 
1 1 1 -14 6  19 o 59.02909 2.306220  -2.232876      4.612439 
1 1 1 -14 6  20 o 97.07646 2.053713  0.2845688      4.107426 
1 1 1 -14 6  21 o 18.35622 5.053759  11.72515       10.10752 
1 1 1 -14 6  22 o 103.6025 2.073217  4.672554       4.146434 
1 1 1 -14 6  23 o 127.8961 2.538906  -3.926140      5.077812 
1 1 1 -14 6  24 o 27.71350 4.334217  -5.528500      8.668433 
1 1 1 -14 6  25 o 52.54504 5.170312  ?              ?        
1 1 1 -14 6  26 o 30.54277 5.442991  -13.86108      10.88598 
1 1 1 -14 6  27 o 22.76326 5.953713  5.212339       11.90743 
1 1 1 -14 6  28 o 33.16785 4.385187  -6.820812      8.770374 
1 1 1 -14 6  29 o 68.01784 3.354611  5.116920       6.709222 
1 1 1 -14 6  30 o 21.84061 4.893954  -6.999441      9.787908 
1 1 1 -14 6  31 o 46.77731 3.761316  -12.58487      7.522633 
1 1 1 -14 6  32 o 28.95442 4.294379  -18.52087      8.588758 
1 1 1 -14 6  33 f 20.31130 4.653065  -11.38476      9.306129 
1 1 1 -14 6  34 o 28.23367 4.538331  -16.66501      9.076661 
1 1 1 -14 6  35 o 16.34715 4.809787  -10.07914      9.619575 
1 1 1 -14 7  1  o 173.6571 3.124530  10.11700       6.249061 
1 1 1 -14 7  2  o 160.2097 2.674242  2.898026       5.348485 
1 1 1 -14 7  3  o 71.73598 2.855235  ?              ?        
1 1 1 -14 7  4  o 64.17004 2.567511  -1.351120      5.135022 
1 1 1 -14 7  5  o 209.1290 2.536980  -7.487579      5.073959 
1 1 1 -14 7  6  o 114.9568 2.191953  0.1798172      4.383907 
1 1 1 -14 7  7  o 195.8833 2.461147  -4.297760      4.922295 
1 1 1 -14 7  8  o 102.4514 2.175471  1.590096       4.350942 
1 1 1 -14 7  9  f 138.8969 2.201315  -3.756378      4.402630 
1 1 1 -14 7  10 o 76.86446 2.897029  -12.05151      5.794057 
1 1 1 -14 7  11 o 24.84149 4.975945  -5.963770      9.951890 
1 1 1 -14 7  12 o 39.76389 3.214107  0.5792122      6.428214 
1 1 1 -14 7  13 o 55.35474 3.722752  -0.8908844E-01 7.445504 
1 1 1 -14 7  14 o 66.55079 2.308375  10.19070       4.616749 
1 1 1 -14 7  15 o 162.5628 2.238420  7.024414       4.476840 
1 1 1 -14 7  16 o 84.59874 2.130930  -3.186165      4.261860 
1 1 1 -14 7  17 o 46.73779 3.268768  6.230896       6.537535 
1 1 1 -14 7  18 o 39.45061 3.312372  -7.968426      6.624744 
1 1 1 -14 7  19 o 65.44928 2.269221  7.219170       4.538442 
1 1 1 -14 7  20 o 52.79351 3.488815  -5.103855      6.977631 
1 1 1 -14 7  21 o 91.52536 2.176790  -0.7714691     4.353580 
1 1 1 -14 7  22 o 90.51733 3.305468  -14.35493      6.610936 
1 1 1 -14 7  23 o 65.88407 2.580113  -5.441448      5.160225 
1 1 1 -14 7  24 o 67.58617 2.590987  -8.595577      5.181974 
1 1 1 -14 7  25 f 97.11519 2.351282  -0.7899399     4.702563 
1 1 1 -14 7  26 o 92.99910 3.189883  -7.292168      6.379766 
1 1 1 -14 7  27 o 22.64371 5.597466  -4.745975      11.19493 
1 1 1 -14 7  28 o 64.70365 3.058410  -8.352921      6.116820 
1 1 1 -14 7  29 o 44.36513 4.068551  -20.85125      8.137102 
1 1 1 -14 7  30 o 35.50318 5.569041  -16.15940      11.13808 
1 1 1 -14 7  31 o 17.77122 4.935602  1.508465       9.871203 
1 1 1 -14 7  32 o 29.24340 4.414713  1.341660       8.829427 
1 1 1 -14 7  33 o 15.05983 4.376097  -6.840144      8.752194 
1 1 1 -14 7  34 o 11.28216 3.860705  -4.989458      7.721411 
1 1 1 -14 7  35 o 44.55750 4.385926  -31.07607      8.771852 
1 1 1 -14 8  1  o 76.42171 2.872185  -1.632927      5.744371 
1 1 1 -14 8  2  o 231.2170 3.695992  ?              ?        
1 1 1 -14 8  3  o 243.2992 3.350621  -5.726120      6.701243 
1 1 1 -14 8  4  o 138.1082 2.676320  0.9132385      5.352640 
1 1 1 -14 8  5  o 72.99493 3.067637  -3.689316      6.135273 
1 1 1 -14 8  6  o 102.4069 2.304996  4.331665       4.609993 
1 1 1 -14 8  7  o 137.4823 2.342044  -3.724533      4.684087 
1 1 1 -14 8  8  o 179.0170 2.453056  -1.203461      4.906112 
1 1 1 -14 8  9  o 232.3988 3.345929  -4.626938      6.691858 
1 1 1 -14 8  10 o 206.4648 3.034526  5.874649       6.069052 
1 1 1 -14 8  11 f 30.64605 4.066203  2.374678       8.132405 
1 1 1 -14 8  12 o 35.49039 5.554993  -12.22871      11.10999 
1 1 1 -14 8  13 o 117.1625 2.214957  1.298180       4.429915 
1 1 1 -14 8  14 f 102.2976 2.190800  -10.61816      4.381600 
1 1 1 -14 8  15 o 22.39051 4.563954  1.147533       9.127909 
1 1 1 -14 8  16 o 70.56262 2.355125  2.491760       4.710251 
1 1 1 -14 8  17 o 117.6351 2.686567  5.490051       5.373134 
1 1 1 -14 8  18 o 93.34934 2.534882  -8.086273      5.069763 
1 1 1 -14 8  19 o 67.88502 2.735933  -5.262009      5.471865 
1 1 1 -14 8  20 o 35.41058 4.203475  -9.621273      8.406950 
1 1 1 -14 8  21 f 35.80043 5.227659  -6.912071      10.45532 
1 1 1 -14 8  22 o 84.34598 2.431656  -5.845535      4.863313 
1 1 1 -14 8  23 o 92.99223 2.378907  3.173370       4.757815 
1 1 1 -14 8  24 o 149.0863 2.444112  -5.467880      4.888224 
1 1 1 -14 8  25 o 58.45640 3.006424  -2.793232      6.012848 
1 1 1 -14 8  26 o 49.44974 3.412658  -1.855183      6.825316 
1 1 1 -14 8  27 o 28.72945 5.526719  -6.023928      11.05344 
1 1 1 -14 8  28 o 40.30177 5.186199  -16.60317      10.37240 
1 1 1 -14 8  29 o 51.05827 4.936281  -12.14516      9.872561 
1 1 1 -14 8  30 o 16.78857 4.972675  -8.186701      9.945350 
1 1 1 -14 8  31 f 15.03022 4.391503  -3.493451      8.783006 
1 1 1 -14 8  32 o 20.60583 4.734618  -8.273430      9.469235 
1 1 1 -14 8  33 o 24.39846 4.947988  -1.122107      9.895975 
1 1 1 -14 8  34 o 25.04241 4.626110  -31.84765      9.252219 
1 1 1 -14 8  35 o 35.43260 5.489882  -16.20685      10.97976 
1 1 1 -14 9  1  o 121.4326 2.662783  -0.5458221     5.325566 
1 1 1 -14 9  2  o 94.25014 2.695319  3.227547       5.390638 
1 1 1 -14 9  3  o 100.6270 2.733269  3.566475       5.466538 
1 1 1 -14 9  4  o 65.43347 3.289203  -4.587009      6.578406 
1 1 1 -14 9  5  o 183.1355 2.966454  -0.8640747     5.932909 
1 1 1 -14 9  6  o 143.0217 2.786752  -5.322113      5.573504 
1 1 1 -14 9  7  o 207.7003 3.622410  8.029037       7.244820 
1 1 1 -14 9  8  o 24.21204 5.586896  2.785215       11.17379 
1 1 1 -14 9  9  f 142.7851 2.789155  2.295593       5.578309 
1 1 1 -14 9  10 o 54.37608 3.010617  -0.7298660     6.021235 
1 1 1 -14 9  11 o 55.13364 4.414453  0.5113487      8.828905 
1 1 1 -14 9  12 o 102.2925 2.333824  6.233025       4.667648 
1 1 1 -14 9  13 o 69.26377 2.426894  5.413788       4.853788 
1 1 1 -14 9  14 o 126.6606 2.275067  1.297958       4.550134 
1 1 1 -14 9  15 o 159.5636 2.407838  9.775085       4.815676 
1 1 1 -14 9  16 o 81.41673 2.782238  -0.6307220     5.564476 
1 1 1 -14 9  17 o 104.8478 2.757076  16.34322       5.514153 
1 1 1 -14 9  18 o 58.86870 2.998393  0.2827759      5.996785 
1 1 1 -14 9  19 o 16.44453 4.130491  -7.519717      8.260982 
1 1 1 -14 9  20 o 109.7781 2.307871  9.983925       4.615742 
1 1 1 -14 9  21 o 13.61900 4.474633  0.8471298      8.949266 
1 1 1 -14 9  22 f 21.29924 4.927887  -1.710064      9.855775 
1 1 1 -14 9  23 o 91.92282 2.476430  14.14466       4.952860 
1 1 1 -14 9  24 o 56.41746 3.142402  2.707726       6.284804 
1 1 1 -14 9  25 o 48.04261 3.900838  -8.913269      7.801675 
1 1 1 -14 9  26 o 81.38052 2.765017  -6.071335      5.530034 
1 1 1 -14 9  27 o 75.47964 3.466546  ?              ?        
1 1 1 -14 9  28 o 30.24376 4.521309  -19.52452      9.042618 
1 1 1 -14 9  29 o 17.65500 5.130046  -6.716477      10.26009 
1 1 1 -14 9  30 o 34.73084 4.275674  -1.488651      8.551349 
1 1 1 -14 9  31 o 20.83002 4.831153  4.600773       9.662307 
1 1 1 -14 9  32 o 13.98644 4.356325  1.887323       8.712649 
1 1 1 -14 9  33 f 29.73840 4.357488  -24.71533      8.714976 
1 1 1 -14 9  34 o 16.28980 5.267819  -10.27432      10.53564 
1 1 1 -14 10 1  o 143.8057 2.776001  -0.9566040     5.552002 
1 1 1 -14 10 2  o 125.3069 2.727978  3.096886       5.455956 
1 1 1 -14 10 3  o 251.5584 3.665873  19.00223       7.331745 
1 1 1 -14 10 4  f 29.18644 5.005545  15.94796       10.01109 
1 1 1 -14 10 5  o 157.7361 2.908849  1.602890       5.817697 
1 1 1 -14 10 6  o 114.1651 2.819099  -12.08894      5.638198 
1 1 1 -14 10 7  o 341.5935 7.326720  ?              ?        
1 1 1 -14 10 8  o 202.3270 3.246122  6.415894       6.492244 
1 1 1 -14 10 9  x ?        ?         ?              ?        
1 1 1 -14 10 10 o 75.35844 3.729534  -11.93063      7.459067 
1 1 1 -14 10 11 o 77.30538 2.538640  -4.327698      5.077281 
1 1 1 -14 10 12 o 32.12341 4.102189  4.560154       8.204377 
1 1 1 -14 10 13 o 134.6968 2.382304  -9.113846      4.764607 
1 1 1 -14 10 14 o 17.86585 4.770538  2.543814       9.541076 
1 1 1 -14 10 15 o 116.0095 2.307515  2.796074       4.615029 
1 1 1 -14 10 16 o 84.36732 2.977464  -5.533691      5.954929 
1 1 1 -14 10 17 o 66.55046 2.793912  -6.038937      5.587824 
1 1 1 -14 10 18 o 40.12056 4.390298  -17.28786      8.780597 
1 1 1 -14 10 19 o 98.77084 2.470095  0.1079178      4.940189 
1 1 1 -14 10 20 o 26.60696 4.754210  -18.46411      9.508419 
1 1 1 -14 10 21 o 99.59474 2.572372  1.842880       5.144744 
1 1 1 -14 10 22 o 43.50314 3.675323  2.844368       7.350645 
1 1 1 -14 10 23 o 39.74136 4.511828  1.563503       9.023656 
1 1 1 -14 10 24 o 43.04484 4.563131  -17.40153      9.126262 
1 1 1 -14 10 25 o 94.38461 2.701164  -2.217453      5.402329 
1 1 1 -14 10 26 o 20.91484 5.157494  16.95206       10.31499 
1 1 1 -14 10 27 o 35.63583 4.367629  0.3371544      8.735258 
1 1 1 -14 10 28 o 31.87752 5.141279  -19.28441      10.28256 
1 1 1 -14 10 29 o 28.55997 4.582804  -14.63492      9.165607 
1 1 1 -14 10 30 o 25.09360 4.063232  -18.80450      8.126464 
1 1 1 -14 10 31 o 14.96293 4.431650  -3.859529      8.863300 
1 1 1 -14 10 32 o 27.65615 4.739029  -14.44597      9.478059 
1 1 1 -14 10 33 o 17.22861 5.300325  -6.456888      10.60065 
1 1 1 -14 10 34 o 17.16625 5.117675  3.333776       10.23535 
1 1 1 -14 11 1  o 81.38824 2.897924  10.34716       5.795847 
1 1 1 -14 11 2  o 71.55711 3.006894  -5.351410      6.013787 
1 1 1 -14 11 3  o 111.4997 2.829446  13.29407       5.658893 
1 1 1 -14 11 4  o 113.1128 2.780407  -2.281792      5.560814 
1 1 1 -14 11 5  o 100.6682 2.831519  -6.273140      5.663038 
1 1 1 -14 11 6  o 165.5428 3.546009  -13.30647      7.092019 
1 1 1 -14 11 7  o 105.7030 3.222040  13.81522       6.444081 
1 1 1 -14 11 8  o 40.79820 4.098353  9.002468       8.196707 
1 1 1 -14 11 9  o 153.1496 4.629934  ?              ?        
1 1 1 -14 11 10 o 166.5168 3.006565  3.099960       6.013131 
1 1 1 -14 11 11 o 55.20582 3.539818  -5.660095      7.079637 
1 1 1 -14 11 12 o 62.16867 3.311357  -0.9689522     6.622713 
1 1 1 -14 11 13 o 62.92869 2.765820  -3.440575      5.531641 
1 1 1 -14 11 14 o 43.02793 3.568543  -3.176785      7.137087 
1 1 1 -14 11 15 o 84.68951 2.521926  -0.8632355     5.043851 
1 1 1 -14 11 16 o 84.17566 3.079798  3.448868       6.159596 
1 1 1 -14 11 17 o 51.79004 3.068188  6.893196       6.136376 
1 1 1 -14 11 18 o 26.84426 5.461524  -4.368866      10.92305 
1 1 1 -14 11 19 x ?        ?         ?              ?        
1 1 1 -14 11 20 o 73.70123 3.012257  -3.284348      6.024515 
1 1 1 -14 11 21 o 91.23820 2.610962  -3.086357      5.221925 
1 1 1 -14 11 22 o 94.53570 2.786927  -2.322281      5.573854 
1 1 1 -14 11 23 o 52.13703 3.554335  1.010155       7.108670 
1 1 1 -14 11 24 o 88.48154 2.954231  ?              ?        
1 1 1 -14 11 25 o 41.73272 4.808742  -14.42502      9.617484 
1 1 1 -14 11 26 o 49.22705 4.600399  3.248253       9.200797 
1 1 1 -14 11 27 o 30.25025 5.343508  -9.673182      10.68702 
1 1 1 -14 11 28 o 64.52682 2.845958  -10.60828      5.691916 
1 1 1 -14 11 29 o 40.77327 3.812247  -20.97878      7.624494 
1 1 1 -14 11 30 o 22.99866 6.577004  ?              ?        
1 1 1 -14 11 31 o 22.80506 3.900144  -22.86444      7.800288 
1 1 1 -14 11 32 o 16.21995 4.988507  -3.252719      9.977015 
1 1 1 -14 11 33 o 43.05554 4.740346  -27.47943      9.480693 
1 1 1 -14 12 1  o 35.93880 4.611189  13.98395       9.222379 
1 1 1 -14 12 2  o 87.61216 2.836262  -11.62927      5.672523 
1 1 1 -14 12 3  o 215.7109 3.416676  10.10275       6.833351 
1 1 1 -14 12 4  o 170.8643 3.698471  16.90080       7.396942 
1 1 1 -14 12 5  f 80.37617 3.393127  -2.194977      6.786253 
1 1 1 -14 12 6  o 61.59466 3.322745  16.61697       6.645489 
1 1 1 -14 12 7  o 121.8648 4.349438  ?              ?        
1 1 1 -14 12 8  o 152.7184 3.007851  2.158783       6.015703 
1 1 1 -14 12 9  o 44.04914 4.009776  7.857246       8.019551 
1 1 1 -14 12 10 o 105.8365 2.881833  -9.143257      5.763666 
1 1 1 -14 12 11 o 84.08473 3.021774  1.427650       6.043548 
1 1 1 -14 12 12 o 98.94890 2.933834  3.536644       5.867668 
1 1 1 -14 12 13 o 44.25788 3.871996  -2.590008      7.743992 
1 1 1 -14 12 14 o 57.73777 3.398501  -2.124428      6.797001 
1 1 1 -14 12 15 o 67.07295 3.720719  -4.192513      7.441438 
1 1 1 -14 12 16 o 123.3217 3.043950  0.7994919      6.087900 
1 1 1 -14 12 17 o 137.0119 3.213822  -11.65982      6.427644 
1 1 1 -14 12 18 o 77.97546 3.149066  1.784424       6.298131 
1 1 1 -14 12 19 o 131.1562 2.984632  6.499680       5.969264 
1 1 1 -14 12 20 o 116.2330 3.085979  -4.893158      6.171958 
1 1 1 -14 12 21 o 48.85004 3.943323  6.339390       7.886646 
1 1 1 -14 12 22 o 73.76292 3.140894  -2.327744      6.281789 
1 1 1 -14 12 23 o 36.54384 5.087288  -10.47185      10.17458 
1 1 1 -14 12 24 o 46.08367 4.274299  -0.5502548     8.548597 
1 1 1 -14 12 25 o 29.19682 5.767326  -0.5882568     11.53465 
1 1 1 -14 12 26 o 24.73986 5.729762  -3.132566      11.45952 
1 1 1 -14 12 27 o 36.01916 5.117422  5.072227       10.23484 
1 1 1 -14 12 28 o 15.73060 4.535871  3.864342       9.071741 
1 1 1 -14 12 29 o 17.76261 4.600154  8.283592       9.200308 
1 1 1 -14 12 30 o 16.18991 4.589755  -6.194581      9.179510 
1 1 1 -14 12 31 f 27.41568 4.215611  -22.64308      8.431222 
1 1 1 -14 12 32 o 28.95858 5.750589  -9.070688      11.50118 
1 1 1 -14 12 33 o 18.03979 8.330578  ?              ?        
1 1 1 -14 13 1  o 157.6892 3.040201  0.7441254      6.080401 
1 1 1 -14 13 2  o 77.99591 5.013448  ?              ?        
1 1 1 -14 13 3  o 79.71185 3.299915  -8.435875      6.599830 
1 1 1 -14 13 4  o 71.79401 3.180683  -4.353065      6.361366 
1 1 1 -14 13 5  o 59.26041 3.911469  ?              ?        
1 1 1 -14 13 6  o 34.23634 4.892653  -2.044846      9.785305 
1 1 1 -14 13 7  o 58.25103 3.844461  -1.627758      7.688921 
1 1 1 -14 13 8  o 112.6669 3.019360  2.845818       6.038720 
1 1 1 -14 13 9  o 108.1806 2.991002  0.5797653      5.982004 
1 1 1 -14 13 10 o 141.4672 3.011013  -10.92139      6.022025 
1 1 1 -14 13 11 o 119.7763 3.057983  0.2472229      6.115966 
1 1 1 -14 13 12 o 103.5477 3.092710  1.467140       6.185420 
1 1 1 -14 13 13 o 59.22028 3.837863  -7.273453      7.675726 
1 1 1 -14 13 14 f 39.49171 5.539928  -23.61281      11.07986 
1 1 1 -14 13 15 o 17.39577 5.207468  9.722297       10.41494 
1 1 1 -14 13 16 x ?        ?         ?              ?        
1 1 1 -14 13 17 o 65.97504 4.090125  3.657921       8.180250 
1 1 1 -14 13 18 o 28.04516 5.760634  24.14685       11.52127 
1 1 1 -14 13 19 o 64.72792 3.721295  9.097633       7.442589 
1 1 1 -14 13 20 o 51.58031 4.347667  0.1440048      8.695333 
1 1 1 -14 13 21 o 40.18759 5.216886  -7.442097      10.43377 
1 1 1 -14 13 22 o 25.54845 5.448339  -7.723995      10.89668 
1 1 1 -14 13 23 o 39.77552 5.161675  0.3199615      10.32335 
1 1 1 -14 13 24 o 25.41703 6.170424  12.09955       12.34085 
1 1 1 -14 13 25 o 22.67323 5.972344  -10.78144      11.94469 
1 1 1 -14 13 26 o 18.10340 5.266572  2.947311       10.53314 
1 1 1 -14 13 27 f 26.35163 4.553734  -13.10091      9.107469 
1 1 1 -14 13 28 o 20.56915 4.869042  -3.295010      9.738084 
1 1 1 -14 13 29 o 16.03339 4.565781  -2.822504      9.131561 
1 1 1 -14 13 30 o 29.40855 3.944102  -27.15857      7.888203 
1 1 1 -14 13 31 o 20.30511 5.322482  -8.751275      10.64496 
1 1 1 -14 13 32 o 21.80130 9.212841  ?              ?        
1 1 1 -14 14 1  o 110.4348 2.974259  2.586548       5.948519 
1 1 1 -14 14 2  o 90.13618 3.564965  ?              ?        
1 1 1 -14 14 3  o 89.36192 3.576166  ?              ?        
1 1 1 -14 14 4  o 77.81348 3.227566  0.8844910      6.455132 
1 1 1 -14 14 5  o 117.0643 3.023691  -0.7851486     6.047382 
1 1 1 -14 14 6  o 37.57188 7.961903  ?              ?        
1 1 1 -14 14 7  o 167.7116 3.605183  4.419174       7.210365 
1 1 1 -14 14 8  o 20.05326 5.310018  6.925352       10.62004 
1 1 1 -14 14 9  o 48.32838 3.918333  10.41727       7.836666 
1 1 1 -14 14 10 o 86.34975 3.193278  1.707565       6.386555 
1 1 1 -14 14 11 o 69.30208 3.318915  10.03391       6.637830 
1 1 1 -14 14 12 o 63.89798 4.120605  6.978783       8.241211 
1 1 1 -14 14 13 o 106.8974 3.163681  2.304085       6.327363 
1 1 1 -14 14 14 o 48.22760 4.795249  3.505520       9.590499 
1 1 1 -14 14 15 o 15.91809 7.451871  ?              ?        
1 1 1 -14 14 16 o 30.39918 6.411541  -9.070919      12.82308 
1 1 1 -14 14 17 o 25.00404 6.414052  -6.896334      12.82810 
1 1 1 -14 14 18 o 58.25140 4.703231  6.833172       9.406463 
1 1 1 -14 14 19 o 18.07983 5.716615  0.5059814E-01  11.43323 
1 1 1 -14 14 20 o 66.64408 4.594857  -8.842258      9.189713 
1 1 1 -14 14 21 o 62.71225 4.240875  -7.779724      8.481750 
1 1 1 -14 14 22 o 85.60527 3.927995  4.245583       7.855990 
1 1 1 -14 14 23 o 20.19338 5.397458  -4.582451      10.79492 
1 1 1 -14 14 24 o 42.28786 5.765713  -4.329231      11.53143 
1 1 1 -14 14 25 o 28.72974 6.118454  -11.78409      12.23691 
1 1 1 -14 14 26 o 51.59535 3.241362  -2.402786      6.482724 
1 1 1 -14 14 27 o 21.35655 4.695441  -5.725145      9.390882 
1 1 1 -14 14 28 o 16.19449 4.587177  4.687823       9.174354 
1 1 1 -14 14 29 o 13.26398 4.212221  -0.3053980     8.424442 
1 1 1 -14 14 30 o 39.90441 4.565353  -35.14699      9.130707 
1 1 1 -14 14 31 f 18.70111 5.513448  -9.343566      11.02690 
1 1 1 -14 14 32 x ?        ?         ?              ?        
1 1 1 -14 15 1  o 107.9243 3.357814  -2.172287      6.715629 
1 1 1 -14 15 2  o 101.3365 3.020029  -0.9921875     6.040057 
1 1 1 -14 15 3  o 66.57524 3.368057  3.543694       6.736115 
1 1 1 -14 15 4  o 62.48229 3.744084  -13.68966      7.488167 
1 1 1 -14 15 5  o 127.7077 3.082988  -8.108925      6.165975 
1 1 1 -14 15 6  o 76.20763 3.326145  1.196449       6.652289 
1 1 1 -14 15 7  o 123.1475 3.481197  2.919395       6.962394 
1 1 1 -14 15 8  o 56.37794 3.761898  21.51181       7.523797 
1 1 1 -14 15 9  o 30.79239 5.705811  -0.7033806     11.41162 
1 1 1 -14 15 10 o 157.9807 3.775985  -5.149246      7.551969 
1 1 1 -14 15 11 o 39.07246 4.982686  -6.764221      9.965372 
1 1 1 -14 15 12 o 38.58314 5.609345  1.242363       11.21869 
1 1 1 -14 15 13 o 58.49935 5.926734  ?              ?        
1 1 1 -14 15 14 o 84.53131 3.533262  0.2791748      7.066523 
1 1 1 -14 15 15 o 24.27952 6.617306  -0.5215950     13.23461 
1 1 1 -14 15 16 o 71.46865 4.418732  -3.414505      8.837463 
1 1 1 -14 15 17 f 66.18827 5.001707  -16.25515      10.00341 
1 1 1 -14 15 18 f 28.53757 7.234086  2.705397       14.46817 
1 1 1 -14 15 19 o 71.07390 4.547137  6.022026       9.094275 
1 1 1 -14 15 20 o 44.36087 6.068129  10.42035       12.13626 
1 1 1 -14 15 21 o 30.31846 6.795393  7.773087       13.59079 
1 1 1 -14 15 22 o 27.16505 6.160251  -0.7361794     12.32050 
1 1 1 -14 15 23 f 20.21469 7.974012  ?              ?        
1 1 1 -14 15 24 o 36.22363 5.397208  -4.821392      10.79442 
1 1 1 -14 15 25 o 53.87049 3.800498  -7.243805      7.600997 
1 1 1 -14 15 26 o 31.07803 5.108977  3.269728       10.21795 
1 1 1 -14 15 27 o 18.21947 4.631049  -8.917182      9.262097 
1 1 1 -14 15 28 o 17.11733 4.864599  3.355145       9.729198 
1 1 1 -14 15 29 o 27.19007 4.881520  -23.64154      9.763040 
1 1 1 -14 15 30 o 19.65870 8.266929  ?              ?        
1 1 1 -14 15 31 x ?        ?         ?              ?        
1 1 1 -14 16 1  o 58.01328 4.101012  -3.722710      8.202024 
1 1 1 -14 16 2  o 45.43363 5.106636  13.01220       10.21327 
1 1 1 -14 16 3  o 58.37588 3.916348  0.3141403      7.832697 
1 1 1 -14 16 4  o 31.01340 5.561440  20.94905       11.12288 
1 1 1 -14 16 5  o 73.34988 3.447868  12.21205       6.895736 
1 1 1 -14 16 6  o 90.94170 3.362795  -5.233932      6.725591 
1 1 1 -14 16 7  o 69.51305 3.700032  -9.540703      7.400064 
1 1 1 -14 16 8  o 61.29082 4.734334  -11.22890      9.468669 
1 1 1 -14 16 9  o 19.40744 5.683980  4.401152       11.36796 
1 1 1 -14 16 10 o 34.35904 9.627332  ?              ?        
1 1 1 -14 16 11 o 19.06004 7.363737  ?              ?        
1 1 1 -14 16 12 o 53.70985 4.311091  1.055115       8.622182 
1 1 1 -14 16 13 o 99.67297 3.475086  2.750229       6.950173 
1 1 1 -14 16 14 o 85.75863 3.575908  8.184738       7.151816 
1 1 1 -14 16 15 o 23.65730 6.727512  -0.8624992     13.45502 
1 1 1 -14 16 16 o 70.63040 4.680612  -10.63908      9.361224 
1 1 1 -14 16 17 o 75.70728 4.504058  -0.3544846     9.008117 
1 1 1 -14 16 18 o 25.72858 6.579594  -12.60408      13.15919 
1 1 1 -14 16 19 o 21.61282 6.417068  9.423006       12.83414 
1 1 1 -14 16 20 o 54.70831 5.456799  -11.58705      10.91360 
1 1 1 -14 16 21 o 33.01356 8.636191  ?              ?        
1 1 1 -14 16 22 o 44.94643 5.821667  -8.795704      11.64333 
1 1 1 -14 16 23 o 48.04845 4.809819  -11.29126      9.619638 
1 1 1 -14 16 24 o 40.14653 4.782303  8.934330       9.564607 
1 1 1 -14 16 25 o 17.09195 4.561200  -8.069790      9.122400 
1 1 1 -14 16 26 o 23.67326 5.220834  2.720911       10.44167 
1 1 1 -14 16 27 o 27.46052 4.265716  -19.54092      8.531431 
1 1 1 -14 16 28 o 15.73575 4.837116  1.536572       9.674232 
1 1 1 -14 16 29 o 18.26883 7.768981  ?              ?        
1 1 1 -14 16 30 x ?        ?         ?              ?        
1 1 1 -14 17 1  o 90.69480 3.665167  -7.408325      7.330335 
1 1 1 -14 17 2  o 72.90619 3.955857  5.253883       7.911713 
1 1 1 -14 17 3  o 56.25875 4.433839  5.020058       8.867678 
1 1 1 -14 17 4  o 83.79904 3.486510  16.23483       6.973019 
1 1 1 -14 17 5  o 94.43616 3.523754  -7.115570      7.047508 
1 1 1 -14 17 6  o 55.69070 5.334726  -11.43169      10.66945 
1 1 1 -14 17 7  f 77.08890 4.089035  -7.686859      8.178069 
1 1 1 -14 17 8  o 150.4307 3.799756  -1.717972      7.599513 
1 1 1 -14 17 9  o 80.58054 4.221259  ?              ?        
1 1 1 -14 17 10 o 54.80207 8.130920  ?              ?        
1 1 1 -14 17 11 o 40.45469 5.669711  -1.802135      11.33942 
1 1 1 -14 17 12 o 62.79930 4.130336  15.22690       8.260673 
1 1 1 -14 17 13 o 103.0304 3.567733  -5.046013      7.135465 
1 1 1 -14 17 14 o 25.85676 6.472847  -1.359024      12.94569 
1 1 1 -14 17 15 o 28.84826 7.369787  -4.827320      14.73957 
1 1 1 -14 17 16 o 20.17539 6.215167  -3.198202      12.43033 
1 1 1 -14 17 17 o 22.30146 6.405058  -7.296175      12.81012 
1 1 1 -14 17 18 o 62.81259 4.918017  0.8522835      9.836034 
1 1 1 -14 17 19 o 18.45852 5.791259  4.608255       11.58252 
1 1 1 -14 17 20 x ?        ?         ?              ?        
1 1 1 -14 17 21 o 18.51022 5.773996  5.561393       11.54799 
1 1 1 -14 17 22 o 51.39405 4.861031  -10.71054      9.722061 
1 1 1 -14 17 23 o 45.30508 4.611526  -1.979252      9.223053 
1 1 1 -14 17 24 o 51.25848 3.813308  -6.601665      7.626615 
1 1 1 -14 17 25 o 18.46895 5.118593  4.564638       10.23719 
1 1 1 -14 17 26 o 17.59660 5.114829  -1.474710      10.22966 
1 1 1 -14 17 27 o 17.83278 5.086390  -9.681862      10.17278 
1 1 1 -14 17 28 o 12.01375 5.895741  ?              ?        
1 1 1 -14 17 29 x ?        ?         ?              ?        
1 1 1 -14 18 1  o 79.76118 4.077899  -6.143456      8.155797 
1 1 1 -14 18 2  o 61.90004 4.521914  4.601292       9.043829 
1 1 1 -14 18 3  o 54.45489 7.407717  ?              ?        
1 1 1 -14 18 4  o 109.0520 3.821277  8.284431       7.642555 
1 1 1 -14 18 5  o 38.99387 5.756396  11.62084       11.51279 
1 1 1 -14 18 6  o 82.18855 4.229605  ?              ?        
1 1 1 -14 18 7  o 85.95918 4.320506  ?              ?        
1 1 1 -14 18 8  o 88.35735 3.694360  2.498947       7.388720 
1 1 1 -14 18 9  o 70.23993 4.051278  5.119072       8.102556 
1 1 1 -14 18 10 o 56.87591 5.420948  ?              ?        
1 1 1 -14 18 11 o 87.48055 3.840446  0.1807709      7.680892 
1 1 1 -14 18 12 o 33.13299 6.511939  0.4246902      13.02388 
1 1 1 -14 18 13 o 60.52098 4.583886  -6.018410      9.167772 
1 1 1 -14 18 14 o 51.11097 5.512962  -8.560074      11.02592 
1 1 1 -14 18 15 o 25.93072 7.175245  -1.420731      14.35049 
1 1 1 -14 18 16 o 27.87060 6.923110  6.586954       13.84622 
1 1 1 -14 18 17 f 43.60742 6.283842  -9.217419      12.56768 
1 1 1 -14 18 18 x ?        ?         ?              ?        
1 1 1 -14 18 19 o 20.78511 6.172927  -2.835674      12.34585 
1 1 1 -14 18 20 o 19.78396 5.350917  -13.35902      10.70183 
1 1 1 -14 18 21 o 26.70646 6.112790  12.09345       12.22558 
1 1 1 -14 18 22 o 16.11426 4.934775  -0.3832169     9.869551 
1 1 1 -14 18 23 o 29.34109 5.085135  5.582468       10.17027 
1 1 1 -14 18 24 o 15.50305 4.450524  -4.835837      8.901049 
1 1 1 -14 18 25 o 42.05245 4.120272  1.848225       8.240543 
1 1 1 -14 18 26 o 14.23883 4.507560  -4.437190      9.015121 
1 1 1 -14 18 27 o 15.45912 6.942317  ?              ?        
1 1 1 -14 18 28 x ?        ?         ?              ?        
1 1 1 -14 19 1  o 54.57458 4.875966  -1.423386      9.751931 
1 1 1 -14 19 2  o 54.23199 5.128038  -9.997189      10.25608 
1 1 1 -14 19 3  o 48.21209 7.275225  ?              ?        
1 1 1 -14 19 4  o 67.55565 5.872021  ?              ?        
1 1 1 -14 19 5  o 21.11497 6.145066  6.963459       12.29013 
1 1 1 -14 19 6  o 56.88930 4.666781  -11.04911      9.333562 
1 1 1 -14 19 7  o 68.47216 4.191879  7.483276       8.383759 
1 1 1 -14 19 8  o 70.79089 4.160186  2.228523       8.320373 
1 1 1 -14 19 9  o 46.52260 5.400126  3.496529       10.80025 
1 1 1 -14 19 10 o 23.58421 6.357854  -3.922358      12.71571 
1 1 1 -14 19 11 o 35.88846 6.291554  14.49135       12.58311 
1 1 1 -14 19 12 o 63.72641 4.717515  -6.433018      9.435029 
1 1 1 -14 19 13 o 58.81406 4.645455  -6.699142      9.290911 
1 1 1 -14 19 14 o 101.8375 4.317192  0.7866974      8.634384 
1 1 1 -14 19 15 o 24.49479 6.700503  -3.879049      13.40101 
1 1 1 -14 19 16 x ?        ?         ?              ?        
1 1 1 -14 19 17 o 20.93064 6.261886  -5.094740      12.52377 
1 1 1 -14 19 18 o 23.12964 6.099398  -14.97264      12.19880 
1 1 1 -14 19 19 o 17.76362 5.484653  3.214436       10.96931 
1 1 1 -14 19 20 o 27.92662 6.467914  -0.9760342     12.93583 
1 1 1 -14 19 21 o 16.81771 5.139946  -8.835759      10.27989 
1 1 1 -14 19 22 o 56.47340 3.454298  -6.301762      6.908596 
1 1 1 -14 19 23 o 30.15374 4.337810  -20.34086      8.675619 
1 1 1 -14 19 24 o 16.05507 4.982176  -3.947286      9.964353 
1 1 1 -14 19 25 o 30.14073 8.295142  ?              ?        
1 1 1 -14 19 26 x ?        ?         ?              ?        
1 1 1 -14 19 27 x ?        ?         ?              ?        
1 1 1 -14 20 1  o 28.85222 6.775064  6.550171       13.55013 
1 1 1 -14 20 2  o 18.88374 5.808340  7.087984       11.61668 
1 1 1 -14 20 3  o 70.51785 4.427350  -5.713753      8.854700 
1 1 1 -14 20 4  o 40.46549 6.633601  1.317005       13.26720 
1 1 1 -14 20 5  o 41.50961 6.281038  8.256855       12.56208 
1 1 1 -14 20 6  f 87.68900 3.895818  -0.2555008     7.791636 
1 1 1 -14 20 7  o 44.37994 5.959299  -7.788960      11.91860 
1 1 1 -14 20 8  o 23.38888 6.281181  -5.711681      12.56236 
1 1 1 -14 20 9  o 30.85130 6.085368  -12.82087      12.17074 
1 1 1 -14 20 10 o 22.15649 6.244298  4.944729       12.48860 
1 1 1 -14 20 11 o 31.87456 6.454728  14.32538       12.90946 
1 1 1 -14 20 12 o 32.69661 7.114917  -14.78888      14.22983 
1 1 1 -14 20 13 o 18.00519 5.533177  0.2203789      11.06635 
1 1 1 -14 20 14 o 53.23576 6.926595  ?              ?        
1 1 1 -14 20 15 o 53.88725 5.213388  3.239243       10.42678 
1 1 1 -14 20 16 o 18.99869 5.778294  5.711525       11.55659 
1 1 1 -14 20 17 o 45.79695 5.604512  2.620747       11.20902 
1 1 1 -14 20 18 o 18.66412 5.575954  6.200947       11.15191 
1 1 1 -14 20 19 o 21.04984 5.846378  0.5510178      11.69276 
1 1 1 -14 20 20 o 16.62029 5.023680  -3.959778      10.04736 
1 1 1 -14 20 21 o 14.79203 4.673198  0.3757172      9.346396 
1 1 1 -14 20 22 o 17.83930 5.207455  -8.444000      10.41491 
1 1 1 -14 20 23 o 22.54932 5.027184  -18.61486      10.05437 
1 1 1 -14 20 24 x ?        ?         ?              ?        
1 1 1 -14 20 25 x ?        ?         ?              ?        
1 1 1 -14 20 26 x ?        ?         ?              ?        
1 1 1 -14 21 1  o 69.79150 4.333786  -0.4696274     8.667571 
1 1 1 -14 21 2  o 50.46780 5.441006  16.49832       10.88201 
1 1 1 -14 21 3  o 59.76582 4.659256  13.40776       9.318512 
1 1 1 -14 21 4  o 72.00018 4.404289  -0.1602478     8.808578 
1 1 1 -14 21 5  o 36.85896 6.572294  8.115196       13.14459 
1 1 1 -14 21 6  o 26.39298 6.252758  1.253786       12.50552 
1 1 1 -14 21 7  o 74.02534 4.121981  -6.350403      8.243962 
1 1 1 -14 21 8  o 36.90722 5.979429  -15.74713      11.95886 
1 1 1 -14 21 9  o 38.15721 5.883818  37.95243       11.76764 
1 1 1 -14 21 10 o 34.65469 5.724112  -16.98156      11.44822 
1 1 1 -14 21 11 o 44.27057 6.023371  -5.474529      12.04674 
1 1 1 -14 21 12 o 39.87526 5.911263  ?              ?        
1 1 1 -14 21 13 o 39.63562 5.427518  11.11446       10.85504 
1 1 1 -14 21 14 o 18.51583 5.240915  -6.414505      10.48183 
1 1 1 -14 21 15 o 18.47985 5.600901  1.752520       11.20180 
1 1 1 -14 21 16 o 20.05684 5.513301  9.452722       11.02660 
1 1 1 -14 21 17 o 26.96466 5.923845  13.83031       11.84769 
1 1 1 -14 21 18 o 15.55943 4.881381  4.754726       9.762761 
1 1 1 -14 21 19 o 16.14978 4.965015  -3.193293      9.930030 
1 1 1 -14 21 20 o 14.89122 4.658090  5.140387       9.316180 
1 1 1 -14 21 21 o 24.20804 5.401030  -14.00659      10.80206 
1 1 1 -14 21 22 o 15.22979 6.971985  ?              ?        
1 1 1 -14 21 23 x ?        ?         ?              ?        
1 1 1 -14 21 24 x ?        ?         ?              ?        
1 1 1 -14 22 1  o 69.17304 4.256808  -7.229462      8.513616 
1 1 1 -14 22 2  o 58.68172 4.351693  -4.869354      8.703386 
1 1 1 -14 22 3  o 23.56176 6.096571  8.560774       12.19314 
1 1 1 -14 22 4  o 25.47938 6.276590  -2.230106      12.55318 
1 1 1 -14 22 5  o 43.43648 6.024729  -4.137085      12.04946 
1 1 1 -14 22 6  o 29.70681 9.116879  ?              ?        
1 1 1 -14 22 7  o 22.18837 5.961347  7.014114       11.92269 
1 1 1 -14 22 8  o 30.26266 6.022826  8.878803       12.04565 
1 1 1 -14 22 9  o 21.66529 7.385909  ?              ?        
1 1 1 -14 22 10 o 32.95170 5.612075  -7.351944      11.22415 
1 1 1 -14 22 11 o 36.69257 8.939321  ?              ?        
1 1 1 -14 22 12 o 22.61964 5.691116  9.037264       11.38223 
1 1 1 -14 22 13 o 17.67192 5.184063  0.9145718      10.36813 
1 1 1 -14 22 14 o 14.36868 4.562447  1.366274       9.124893 
1 1 1 -14 22 15 o 15.32010 4.877354  -0.4301023     9.754707 
1 1 1 -14 22 16 o 18.75321 5.645714  1.607246       11.29143 
1 1 1 -14 22 17 o 18.04670 5.423996  1.969278       10.84799 
1 1 1 -14 22 18 o 21.06605 5.534667  -2.550251      11.06933 
1 1 1 -14 22 19 f 19.88388 5.401117  -4.219141      10.80223 
1 1 1 -14 22 20 o 36.17552 8.586938  ?              ?        
1 1 1 -14 22 21 x ?        ?         ?              ?        
1 1 1 -14 22 22 x ?        ?         ?              ?        
1 1 1 -14 22 23 x ?        ?         ?              ?        
1 1 1 -14 23 1  o 26.62453 8.685163  ?              ?        
1 1 1 -14 23 2  o 26.95289 9.392952  ?              ?        
1 1 1 -14 23 3  o 58.98923 4.321971  -3.818867      8.643942 
1 1 1 -14 23 4  o 25.24754 5.582463  -11.11097      11.16493 
1 1 1 -14 23 5  o 21.32749 5.850943  -3.577309      11.70189 
1 1 1 -14 23 6  o 31.65730 7.828695  ?              ?        
1 1 1 -14 23 7  o 15.26212 4.437307  -9.783988      8.874615 
1 1 1 -14 23 8  o 17.28277 5.072464  0.4530811      10.14493 
1 1 1 -14 23 9  o 49.89369 6.475523  ?              ?        
1 1 1 -14 23 10 o 16.64194 4.831482  -4.136470      9.662965 
1 1 1 -14 23 11 o 48.37940 7.105974  ?              ?        
1 1 1 -14 23 12 o 21.98894 5.012238  -8.853111      10.02448 
1 1 1 -14 23 13 o 16.86295 4.827377  -2.993910      9.654755 
1 1 1 -14 23 14 o 16.90703 4.558218  -7.550345      9.116436 
1 1 1 -14 23 15 o 23.74481 4.892255  -2.883221      9.784510 
1 1 1 -14 23 16 o 21.62009 5.649631  -9.340641      11.29926 
1 1 1 -14 23 17 o 33.62663 5.663167  -3.655724      11.32633 
1 1 1 -14 23 18 x ?        ?         ?              ?        
1 1 1 -14 23 19 x ?        ?         ?              ?        
1 1 1 -14 23 20 x ?        ?         ?              ?        
1 1 1 -14 23 21 x ?        ?         ?              ?        
1 1 1 -14 24 1  o 23.42568 7.604310  ?              ?        
1 1 1 -14 24 2  o 28.39185 7.747115  ?              ?        
1 1 1 -14 24 3  o 39.67158 5.068082  -9.728867      10.13616 
1 1 1 -14 24 4  o 32.01001 5.598969  6.707136       11.19794 
1 1 1 -14 24 5  o 53.25515 4.033173  -6.524132      8.066345 
1 1 1 -14 24 6  o 29.08621 5.695620  -0.1640568     11.39124 
1 1 1 -14 24 7  o 22.16536 5.637973  -4.541948      11.27595 
1 1 1 -14 24 8  f 22.80898 5.420700  5.828220       10.84140 
1 1 1 -14 24 9  o 20.82933 5.243181  4.258703       10.48636 
1 1 1 -14 24 10 o 40.60159 4.044301  7.063992       8.088601 
1 1 1 -14 24 11 o 24.04630 4.973023  2.413307       9.946046 
1 1 1 -14 24 12 o 22.65187 4.754910  -7.422014      9.509820 
1 1 1 -14 24 13 o 19.67264 5.277290  3.310795       10.55458 
1 1 1 -14 24 14 f 13.40338 4.396797  -6.491299      8.793594 
1 1 1 -14 24 15 o 16.16650 6.643579  ?              ?        
1 1 1 -14 24 16 x ?        ?         ?              ?        
1 1 1 -14 24 17 x ?        ?         ?              ?        
1 1 1 -14 24 18 x ?        ?         ?              ?        
1 1 1 -14 24 19 x ?        ?         ?              ?        
1 1 1 -14 25 1  o 30.96762 6.488669  ?              ?        
1 1 1 -14 25 2  o 31.69161 6.168530  ?              ?        
1 1 1 -14 25 3  o 27.75619 7.061364  ?              ?        
1 1 1 -14 25 4  o 19.40844 4.946238  -9.032400      9.892476 
1 1 1 -14 25 5  o 29.14780 5.310855  -3.682941      10.62171 
1 1 1 -14 25 6  o 24.69583 5.480959  2.775545       10.96192 
1 1 1 -14 25 7  o 31.19792 5.281744  2.928282       10.56349 
1 1 1 -14 25 8  o 20.36848 4.755169  12.06218       9.510338 
1 1 1 -14 25 9  o 26.57784 4.670359  -5.238903      9.340717 
1 1 1 -14 25 10 o 15.04102 4.808955  -8.118356      9.617910 
1 1 1 -14 25 11 o 26.38779 5.771584  -12.32635      11.54317 
1 1 1 -14 25 12 o 41.44492 5.866415  ?              ?        
1 1 1 -14 25 13 x ?        ?         ?              ?        
1 1 1 -14 25 14 x ?        ?         ?              ?        
1 1 1 -14 25 15 x ?        ?         ?              ?        
1 1 1 -14 25 16 x ?        ?         ?              ?        
1 1 1 -14 25 17 x ?        ?         ?              ?        
1 1 1 -14 26 1  o 20.44663 7.044944  ?              ?        
1 1 1 -14 26 2  o 11.22467 5.297024  ?              ?        
1 1 1 -14 26 3  o 14.06934 6.114179  ?              ?        
1 1 1 -14 26 4  o 33.89206 7.076159  ?              ?        
1 1 1 -14 26 5  o 31.08537 4.851389  9.656708       9.702779 
1 1 1 -14 26 6  o 21.54542 7.339637  ?              ?        
1 1 1 -14 26 7  o 13.07475 5.813956  ?              ?        
1 1 1 -14 26 8  o 14.06968 6.388269  ?              ?        
1 1 1 -14 26 9  o 16.33076 6.769422  ?              ?        
1 1 1 -14 26 10 x ?        ?         ?              ?        
1 1 1 -14 26 11 x ?        ?         ?              ?        
1 1 1 -14 26 12 x ?        ?         ?              ?        
1 1 1 -14 26 13 x ?        ?         ?              ?        
1 1 1 -14 27 1  o 18.25796 6.556194  ?              ?        
1 1 1 -14 27 2  x ?        ?         ?              ?        
1 1 1 -14 27 3  x ?        ?         ?              ?        
1 1 1 -14 27 4  x ?        ?         ?              ?        
1 1 1 -14 27 5  x ?        ?         ?              ?        
1 1 1 -14 27 6  x ?        ?         ?              ?        
1 1 1 -14 27 7  x ?        ?         ?              ?        
1 1 1 -14 27 8  x ?        ?         ?              ?        
1 1 1 -13 0  1  o 325.5527 4.428935  -0.000000      0.000000 
1 1 1 -13 0  2  o 49.39561 1.768049  -0.000000      0.000000 
1 1 1 -13 0  3  o 62.47617 1.714903  -0.000000      0.000000 
1 1 1 -13 0  4  o 82.17628 1.735154  -0.000000      0.000000 
1 1 1 -13 0  5  x ?        ?         ?              ?        
1 1 1 -13 0  6  x ?        ?         ?              ?        
1 1 1 -13 0  7  o 7.205206 4.629362  -0.000000      0.000000 
1 1 1 -13 0  8  o 48.86050 2.662107  -0.000000      0.000000 
1 1 1 -13 0  9  f 72.87785 1.838620  -0.000000      0.000000 
1 1 1 -13 0  10 o 10.99142 5.683709  -0.000000      0.000000 
1 1 1 -13 0  11 o 123.4057 2.168423  -0.000000      0.000000 
1 1 1 -13 0  12 o 101.2922 2.106214  -0.000000      0.000000 
1 1 1 -13 0  13 o 58.88058 2.298872  -0.000000      0.000000 
1 1 1 -13 0  14 o 166.1176 2.668215  -0.000000      0.000000 
1 1 1 -13 0  15 o 89.53725 3.482882  -0.000000      0.000000 
1 1 1 -13 0  16 o 15.59628 8.591165  -0.000000      0.000000 
1 1 1 -13 0  17 o 62.74789 2.989136  -0.000000      0.000000 
1 1 1 -13 0  18 o 68.31850 2.275385  -0.000000      0.000000 
1 1 1 -13 0  19 o 79.18019 2.282490  -0.000000      0.000000 
1 1 1 -13 0  20 o 83.23147 2.313464  -0.000000      0.000000 
1 1 1 -13 0  21 o 155.1379 2.750156  -0.000000      0.000000 
1 1 1 -13 0  22 o 70.23456 2.495139  -0.000000      0.000000 
1 1 1 -13 0  23 o 195.2753 4.734483  -0.000000      0.000000 
1 1 1 -13 0  24 o 15.84910 6.938088  -0.000000      0.000000 
1 1 1 -13 0  25 o 23.43226 7.883859  -0.000000      0.000000 
1 1 1 -13 0  26 o 46.36806 3.597247  -0.000000      0.000000 
1 1 1 -13 0  27 o 141.3202 2.978002  -0.000000      0.000000 
1 1 1 -13 0  28 o 94.11832 2.953764  -0.000000      0.000000 
1 1 1 -13 0  29 o 30.57791 6.840347  -0.000000      0.000000 
1 1 1 -13 0  30 o 5.810278 4.286132  -0.000000      0.000000 
1 1 1 -13 0  31 f 20.80200 10.20937  -0.000000      0.000000 
1 1 1 -13 0  32 o 100.0852 3.073862  -0.000000      0.000000 
1 1 1 -13 0  33 o 21.63813 7.534380  -0.000000      0.000000 
1 1 1 -13 0  34 o 8.653483 5.820932  -0.000000      0.000000 
1 1 1 -13 0  35 o 33.95070 5.405380  -0.000000      0.000000 
1 1 1 -13 0  36 o 15.60098 7.757327  -0.000000      0.000000 
1 1 1 -13 1  1  o 133.6492 1.517833  2.901459       3.035667 
1 1 1 -13 1  2  o 267.0427 2.619773  14.68298       5.239546 
1 1 1 -13 1  3  o 87.39044 1.257993  -6.835350      2.515985 
1 1 1 -13 1  4  o 77.07169 1.231738  -6.469772      2.463475 
1 1 1 -13 1  5  o 213.6372 4.479002  ?              ?        
1 1 1 -13 1  6  o 182.6692 1.914374  4.465866       3.828749 
1 1 1 -13 1  7  o 161.0094 1.753222  -2.443756      3.506444 
1 1 1 -13 1  8  o 202.4383 2.924582  8.568069       5.849165 
1 1 1 -13 1  9  o 214.6983 2.190692  -2.361816      4.381384 
1 1 1 -13 1  10 o 167.3059 1.834100  3.653671       3.668201 
1 1 1 -13 1  11 o 122.6475 1.560410  0.7171021      3.120821 
1 1 1 -13 1  12 o 73.53036 1.502803  -6.513191      3.005606 
1 1 1 -13 1  13 o 111.4814 1.575642  1.065384       3.151285 
1 1 1 -13 1  14 o 277.0636 2.775730  0.1934814E-01  5.551460 
1 1 1 -13 1  15 o 205.8964 3.195407  2.720657       6.390814 
1 1 1 -13 1  16 o 100.9019 2.500429  0.5446472      5.000858 
1 1 1 -13 1  17 o 86.64055 2.075679  2.708519       4.151358 
1 1 1 -13 1  18 o 121.2829 1.676357  -0.6835632     3.352715 
1 1 1 -13 1  19 o 142.3864 1.805236  5.479111       3.610473 
1 1 1 -13 1  20 o 49.50893 1.876952  4.377853       3.753905 
1 1 1 -13 1  21 o 108.8962 1.701347  -4.547417      3.402694 
1 1 1 -13 1  22 o 57.18058 1.865488  -4.207726      3.730975 
1 1 1 -13 1  23 o 135.6605 2.830478  -2.010712      5.660955 
1 1 1 -13 1  24 o 54.24335 2.116798  -0.7433968     4.233595 
1 1 1 -13 1  25 o 16.34966 4.437715  -1.950537      8.875430 
1 1 1 -13 1  26 o 70.28996 2.022342  9.694336       4.044683 
1 1 1 -13 1  27 o 47.81591 2.613499  -3.879776      5.226999 
1 1 1 -13 1  28 f 88.73590 2.118026  -6.007042      4.236053 
1 1 1 -13 1  29 o 32.44871 3.650111  0.6715851      7.300222 
1 1 1 -13 1  30 o 46.94374 2.824988  -2.165653      5.649976 
1 1 1 -13 1  31 o 66.38530 3.832838  3.042488       7.665677 
1 1 1 -13 1  32 o 25.28006 3.957550  11.17480       7.915100 
1 1 1 -13 1  33 o 38.47187 3.049618  2.381035       6.099237 
1 1 1 -13 1  34 o 16.79727 4.167108  -8.899658      8.334215 
1 1 1 -13 1  35 o 13.03907 4.006570  -0.3561554     8.013141 
1 1 1 -13 1  36 o 14.11950 4.118690  1.343310       8.237381 
1 1 1 -13 2  1  o 102.7286 1.423861  7.535461       2.847722 
1 1 1 -13 2  2  o 13.52280 3.127441  9.587282       6.254883 
1 1 1 -13 2  3  o 244.7331 2.458148  13.05124       4.916295 
1 1 1 -13 2  4  o 177.0018 1.901231  8.349182       3.802461 
1 1 1 -13 2  5  o 122.3550 2.176574  -0.1208344     4.353148 
1 1 1 -13 2  6  o 454.4662 4.337752  8.947449       8.675505 
1 1 1 -13 2  7  o 158.4602 2.196724  -13.19095      4.393449 
1 1 1 -13 2  8  o 287.5323 2.840110  1.629517       5.680220 
1 1 1 -13 2  9  o 464.7491 4.437326  -8.451233      8.874653 
1 1 1 -13 2  10 o 274.5521 2.732800  -1.194550      5.465600 
1 1 1 -13 2  11 o 170.0831 1.888045  -6.503860      3.776090 
1 1 1 -13 2  12 o 109.4376 1.575461  7.697594       3.150922 
1 1 1 -13 2  13 o 173.1451 1.943656  0.4114685      3.887313 
1 1 1 -13 2  14 o 127.4157 1.699864  -8.266823      3.399727 
1 1 1 -13 2  15 o 76.57627 1.684546  6.562759       3.369092 
1 1 1 -13 2  16 o 75.09157 2.582643  8.770378       5.165285 
1 1 1 -13 2  17 o 72.85344 2.283185  -4.427773      4.566369 
1 1 1 -13 2  18 o 84.91434 1.645580  -7.850159      3.291159 
1 1 1 -13 2  19 o 126.4571 1.737514  -5.987656      3.475029 
1 1 1 -13 2  20 o 108.7419 1.706158  -1.975273      3.412316 
1 1 1 -13 2  21 o 81.65746 1.713973  -5.237167      3.427946 
1 1 1 -13 2  22 o 26.01635 3.192966  -1.622229      6.385932 
1 1 1 -13 2  23 o 76.23985 2.783534  6.741203       5.567068 
1 1 1 -13 2  24 o 109.6942 1.839838  4.304794       3.679676 
1 1 1 -13 2  25 o 55.34670 2.781853  -3.106907      5.563706 
1 1 1 -13 2  26 o 75.31209 2.036432  0.8444595      4.072864 
1 1 1 -13 2  27 o 58.18432 2.373604  -0.7694588     4.747207 
1 1 1 -13 2  28 o 80.28215 2.161840  0.2456665E-01  4.323680 
1 1 1 -13 2  29 o 39.54422 3.273518  -2.268433      6.547036 
1 1 1 -13 2  30 o 40.90628 3.099692  -5.287632      6.199384 
1 1 1 -13 2  31 o 30.78849 5.687109  -12.66367      11.37422 
1 1 1 -13 2  32 o 29.29527 3.939421  -7.696886      7.878842 
1 1 1 -13 2  33 o 16.27356 4.404952  2.472772       8.809903 
1 1 1 -13 2  34 f 10.42172 3.478940  2.205849       6.957880 
1 1 1 -13 2  35 o 23.83128 4.374842  -11.74563      8.749683 
1 1 1 -13 2  36 o 33.37135 3.817363  2.874567       7.634727 
1 1 1 -13 3  1  o 179.0146 1.989900  -4.459641      3.979800 
1 1 1 -13 3  2  o 169.0023 1.918039  3.454681       3.836078 
1 1 1 -13 3  3  o 117.5940 1.607984  0.9756927      3.215967 
1 1 1 -13 3  4  o 289.0587 3.557834  1.444366       7.115669 
1 1 1 -13 3  5  o 170.5428 2.359241  -8.905212      4.718483 
1 1 1 -13 3  6  f 181.0276 2.026412  -0.6680298E-01 4.052824 
1 1 1 -13 3  7  o 243.1162 5.184688  ?              ?        
1 1 1 -13 3  8  o 278.4128 2.803322  4.818878       5.606643 
1 1 1 -13 3  9  o 435.7429 4.195457  12.38757       8.390915 
1 1 1 -13 3  10 o 230.7618 2.409631  3.926163       4.819263 
1 1 1 -13 3  11 o 243.6084 2.526614  5.306778       5.053228 
1 1 1 -13 3  12 o 188.9491 2.123144  -7.977173      4.246288 
1 1 1 -13 3  13 o 116.3359 1.727506  1.195869       3.455012 
1 1 1 -13 3  14 o 30.60315 4.643648  0.8218479      9.287296 
1 1 1 -13 3  15 o 94.59826 1.727958  4.054337       3.455917 
1 1 1 -13 3  16 o 99.05936 2.676476  7.967804       5.352952 
1 1 1 -13 3  17 o 111.4584 1.987121  0.6592484      3.974242 
1 1 1 -13 3  18 o 95.63968 1.671230  6.113388       3.342459 
1 1 1 -13 3  19 o 93.43424 1.681652  2.231598       3.363303 
1 1 1 -13 3  20 o 130.1634 1.835788  -1.320099      3.671575 
1 1 1 -13 3  21 o 123.9186 1.822899  1.395531       3.645798 
1 1 1 -13 3  22 o 122.1664 1.845314  -2.621635      3.690627 
1 1 1 -13 3  23 o 28.32180 5.134355  7.627235       10.26871 
1 1 1 -13 3  24 o 64.16216 2.077219  -5.480659      4.154438 
1 1 1 -13 3  25 o 87.78555 2.805665  1.432922       5.611329 
1 1 1 -13 3  26 o 82.42248 2.120099  3.476852       4.240199 
1 1 1 -13 3  27 f 28.59466 4.215037  -2.682657      8.430075 
1 1 1 -13 3  28 o 21.90438 4.549191  -8.635164      9.098383 
1 1 1 -13 3  29 o 31.51894 4.219303  -9.796452      8.438606 
1 1 1 -13 3  30 o 18.38127 6.326339  ?              ?        
1 1 1 -13 3  31 o 61.93866 3.554008  -0.5696259     7.108016 
1 1 1 -13 3  32 o 35.53435 4.447030  -18.39606      8.894060 
1 1 1 -13 3  33 o 40.91201 2.972727  -3.152233      5.945453 
1 1 1 -13 3  34 o 30.71167 3.955765  -9.548878      7.911530 
1 1 1 -13 3  35 o 11.75242 3.803374  -0.4047251     7.606747 
1 1 1 -13 3  36 o 19.23552 4.661812  -8.006572      9.323625 
1 1 1 -13 4  1  o 409.5435 3.988643  -1.339752      7.977286 
1 1 1 -13 4  2  o 152.6707 1.907009  0.3047791      3.814018 
1 1 1 -13 4  3  o 66.92708 1.746760  -2.214027      3.493521 
1 1 1 -13 4  4  o 80.88859 2.307320  0.8301544      4.614640 
1 1 1 -13 4  5  o 291.4326 2.965153  -1.644226      5.930305 
1 1 1 -13 4  6  o 159.7787 2.377671  -0.4724121E-01 4.755343 
1 1 1 -13 4  7  o 125.8845 2.581038  -2.724075      5.162076 
1 1 1 -13 4  8  o 132.2148 1.837120  6.827011       3.674240 
1 1 1 -13 4  9  o 93.69307 1.753585  2.033417       3.507169 
1 1 1 -13 4  10 o 136.5200 2.895869  ?              ?        
1 1 1 -13 4  11 o 253.7009 2.669998  -6.246262      5.339995 
1 1 1 -13 4  12 f 191.4999 2.219899  -8.435776      4.439799 
1 1 1 -13 4  13 o 150.5251 1.973019  0.8397522      3.946038 
1 1 1 -13 4  14 o 93.35117 2.613439  4.926758       5.226878 
1 1 1 -13 4  15 o 69.94417 1.919717  2.682915       3.839435 
1 1 1 -13 4  16 x ?        ?         ?              ?        
1 1 1 -13 4  17 o 171.9581 2.463322  -6.248291      4.926644 
1 1 1 -13 4  18 o 137.9412 1.899180  -8.024826      3.798360 
1 1 1 -13 4  19 o 58.03456 2.018855  4.716225       4.037711 
1 1 1 -13 4  20 o 60.26770 2.084011  -4.109592      4.168022 
1 1 1 -13 4  21 o 31.46365 3.581197  -17.89798      7.162393 
1 1 1 -13 4  22 o 24.85402 3.821062  -7.260338      7.642124 
1 1 1 -13 4  23 o 27.85138 4.582130  -6.868086      9.164261 
1 1 1 -13 4  24 o 18.52422 3.422347  -13.30356      6.844694 
1 1 1 -13 4  25 o 141.5709 3.026558  11.67281       6.053116 
1 1 1 -13 4  26 o 12.98624 4.125490  3.732237       8.250980 
1 1 1 -13 4  27 o 49.48010 2.900234  1.849239       5.800468 
1 1 1 -13 4  28 o 57.76517 2.755673  -6.576611      5.511346 
1 1 1 -13 4  29 o 56.99829 2.829843  -16.03058      5.659686 
1 1 1 -13 4  30 o 60.00002 3.210606  -11.78497      6.421211 
1 1 1 -13 4  31 o 69.79564 2.577039  -19.41865      5.154078 
1 1 1 -13 4  32 o 22.38044 5.410840  6.958225       10.82168 
1 1 1 -13 4  33 o 31.28698 3.788663  -3.452408      7.577327 
1 1 1 -13 4  34 o 28.56244 4.304834  -7.919697      8.609669 
1 1 1 -13 4  35 o 10.21041 4.753211  ?              ?        
1 1 1 -13 4  36 o 12.70475 3.967783  -0.7243309     7.935567 
1 1 1 -13 5  1  o 308.1839 3.149633  2.651031       6.299266 
1 1 1 -13 5  2  o 293.3412 3.658637  -6.256409      7.317273 
1 1 1 -13 5  3  o 174.7458 2.153824  4.265457       4.307648 
1 1 1 -13 5  4  o 75.72350 1.924384  0.4215164      3.848769 
1 1 1 -13 5  5  o 87.62154 2.241720  -1.785210      4.483440 
1 1 1 -13 5  6  o 96.64196 3.347954  ?              ?        
1 1 1 -13 5  7  o 139.3206 2.800083  0.6219635      5.600165 
1 1 1 -13 5  8  o 221.9116 2.482504  5.986618       4.965007 
1 1 1 -13 5  9  f 206.1584 2.360994  5.394684       4.721988 
1 1 1 -13 5  10 o 75.49881 2.053982  -2.366829      4.107965 
1 1 1 -13 5  11 o 305.9347 3.151365  8.993530       6.302730 
1 1 1 -13 5  12 o 179.8509 2.216941  -1.672211      4.433882 
1 1 1 -13 5  13 o 38.82820 4.048039  7.022945       8.096079 
1 1 1 -13 5  14 o 121.0958 1.939109  1.623352       3.878219 
1 1 1 -13 5  15 o 196.3143 2.338765  1.058960       4.677530 
1 1 1 -13 5  16 o 123.0478 2.736719  -3.708321      5.473439 
1 1 1 -13 5  17 o 40.32659 2.843694  -1.192207      5.687388 
1 1 1 -13 5  18 o 26.38013 3.580968  -16.47809      7.161936 
1 1 1 -13 5  19 o 78.04419 1.963974  -5.394608      3.927948 
1 1 1 -13 5  20 o 84.96786 1.915735  7.462349       3.831469 
1 1 1 -13 5  21 o 35.05009 2.884090  -1.243961      5.768179 
1 1 1 -13 5  22 o 68.27951 2.960505  -1.673386      5.921010 
1 1 1 -13 5  23 o 124.9846 2.023328  -1.170593      4.046656 
1 1 1 -13 5  24 o 81.09304 2.950741  -9.223663      5.901483 
1 1 1 -13 5  25 o 64.45700 3.568238  -3.879837      7.136477 
1 1 1 -13 5  26 o 104.0895 2.219928  -8.860512      4.439857 
1 1 1 -13 5  27 o 39.69522 3.418895  9.637104       6.837790 
1 1 1 -13 5  28 o 43.57960 3.442020  -3.036160      6.884039 
1 1 1 -13 5  29 o 40.24608 3.791612  -10.89748      7.583224 
1 1 1 -13 5  30 o 43.43847 5.381351  -31.71593      10.76270 
1 1 1 -13 5  31 o 38.82356 3.542711  1.100979       7.085421 
1 1 1 -13 5  32 o 19.48923 5.018310  -8.284456      10.03662 
1 1 1 -13 5  33 o 36.73211 3.950255  -25.85111      7.900510 
1 1 1 -13 5  34 o 16.41949 4.499288  -4.961917      8.998575 
1 1 1 -13 5  35 o 37.00946 3.504585  -7.309849      7.009171 
1 1 1 -13 5  36 o 10.61808 3.596211  -1.347019      7.192421 
1 1 1 -13 6  1  o 99.98091 2.368072  -2.213417      4.736144 
1 1 1 -13 6  2  o 138.6187 2.453739  -7.753418      4.907479 
1 1 1 -13 6  3  o 197.2491 2.357720  1.224152       4.715440 
1 1 1 -13 6  4  o 284.8351 3.735681  -13.57529      7.471362 
1 1 1 -13 6  5  o 93.85479 2.739311  6.128067       5.478621 
1 1 1 -13 6  6  o 22.85732 5.441895  -2.748476      10.88379 
1 1 1 -13 6  7  o 122.7219 2.772509  -0.1838684E-01 5.545017 
1 1 1 -13 6  8  o 120.1562 2.050895  0.2971191      4.101790 
1 1 1 -13 6  9  o 117.4545 2.043634  3.416130       4.087268 
1 1 1 -13 6  10 o 88.13441 2.102388  -0.4158707     4.204776 
1 1 1 -13 6  11 o 65.50653 2.317771  2.922386       4.635542 
1 1 1 -13 6  12 o 139.5091 2.590835  -8.708496      5.181670 
1 1 1 -13 6  13 o 242.7008 3.212082  0.1865234      6.424164 
1 1 1 -13 6  14 o 45.75942 2.791249  -5.025120      5.582498 
1 1 1 -13 6  15 o 187.5548 4.371022  ?              ?        
1 1 1 -13 6  16 o 41.00459 3.719024  0.8141899      7.438049 
1 1 1 -13 6  17 o 67.40337 2.355543  2.482033       4.711086 
1 1 1 -13 6  18 o 46.30962 2.557596  -0.9694748     5.115191 
1 1 1 -13 6  19 o 36.09035 2.908674  15.14894       5.817348 
1 1 1 -13 6  20 o 54.06551 2.337183  1.354710       4.674367 
1 1 1 -13 6  21 o 82.39960 2.044912  3.890823       4.089824 
1 1 1 -13 6  22 o 98.92738 2.763228  6.344376       5.526455 
1 1 1 -13 6  23 o 41.67904 3.035994  -4.740707      6.071987 
1 1 1 -13 6  24 o 71.67764 2.660746  1.414978       5.321492 
1 1 1 -13 6  25 o 20.34550 4.229188  -10.38531      8.458377 
1 1 1 -13 6  26 o 39.37556 4.253778  -9.334858      8.507557 
1 1 1 -13 6  27 o 68.39647 2.624507  11.41375       5.249014 
1 1 1 -13 6  28 o 52.70039 3.065859  2.005112       6.131718 
1 1 1 -13 6  29 o 44.99605 3.262014  8.588036       6.524027 
1 1 1 -13 6  30 o 54.06853 3.984766  0.6758766      7.969533 
1 1 1 -13 6  31 o 45.95935 4.424546  -15.00837      8.849092 
1 1 1 -13 6  32 o 32.94991 3.992062  12.22665       7.984125 
1 1 1 -13 6  33 o 39.57469 3.230170  -6.643177      6.460340 
1 1 1 -13 6  34 f 13.07679 4.066399  2.578592       8.132798 
1 1 1 -13 6  35 o 39.31958 4.275791  ?              ?        
1 1 1 -13 6  36 o 17.18157 4.808974  2.940847       9.617949 
1 1 1 -13 7  1  o 226.5805 3.654570  10.15088       7.309139 
1 1 1 -13 7  2  o 189.3022 3.244369  -10.13062      6.488737 
1 1 1 -13 7  3  o 136.1673 2.848923  -5.094971      5.697847 
1 1 1 -13 7  4  o 191.4016 3.112800  -3.055206      6.225601 
1 1 1 -13 7  5  o 351.2284 3.605811  7.665710       7.211622 
1 1 1 -13 7  6  f 245.1344 3.863947  -9.323807      7.727894 
1 1 1 -13 7  7  o 229.1339 2.675046  -1.553757      5.350091 
1 1 1 -13 7  8  o 134.3337 2.183157  -1.264206      4.366315 
1 1 1 -13 7  9  o 213.5651 2.559797  7.060333       5.119594 
1 1 1 -13 7  10 f 72.50922 2.364382  2.282318       4.728763 
1 1 1 -13 7  11 o 214.1861 2.597352  -3.242188      5.194705 
1 1 1 -13 7  12 o 150.0302 2.597688  -0.8653717     5.195375 
1 1 1 -13 7  13 o 27.98859 4.359324  10.35510       8.718649 
1 1 1 -13 7  14 f 86.51541 3.213058  14.37470       6.426116 
1 1 1 -13 7  15 o 115.3174 2.631306  -0.1817093     5.262613 
1 1 1 -13 7  16 o 39.34752 3.674067  3.529114       7.348134 
1 1 1 -13 7  17 o 15.06437 4.274079  -2.028261      8.548159 
1 1 1 -13 7  18 o 92.56802 2.081318  4.997360       4.162636 
1 1 1 -13 7  19 o 110.1646 2.113354  -0.1091156     4.226707 
1 1 1 -13 7  20 o 113.4610 2.121012  2.940826       4.242024 
1 1 1 -13 7  21 o 40.53612 4.363358  -2.071095      8.726715 
1 1 1 -13 7  22 o 42.67194 3.238525  -5.398319      6.477050 
1 1 1 -13 7  23 o 20.40160 5.831387  8.913405       11.66277 
1 1 1 -13 7  24 o 120.4501 2.233601  -5.337227      4.467201 
1 1 1 -13 7  25 o 105.5596 2.303763  8.143211       4.607526 
1 1 1 -13 7  26 o 81.01353 3.559205  -2.989487      7.118411 
1 1 1 -13 7  27 o 69.56647 2.818001  -0.3422165     5.636002 
1 1 1 -13 7  28 o 34.27456 4.537365  -6.613062      9.074730 
1 1 1 -13 7  29 o 48.37938 3.559681  3.570824       7.119362 
1 1 1 -13 7  30 o 24.80735 4.004075  -19.95504      8.008149 
1 1 1 -13 7  31 o 20.52296 4.905393  -17.47901      9.810786 
1 1 1 -13 7  32 o 12.90856 4.002942  -3.859618      8.005884 
1 1 1 -13 7  33 o 22.12510 4.495439  8.318993       8.990878 
1 1 1 -13 7  34 o 17.15205 4.709374  -3.550741      9.418749 
1 1 1 -13 7  35 o 26.13628 5.087034  -6.646549      10.17407 
1 1 1 -13 8  1  o 187.6382 3.290786  -5.400055      6.581571 
1 1 1 -13 8  2  o 199.1942 3.388708  ?              ?        
1 1 1 -13 8  3  o 186.8175 3.266597  ?              ?        
1 1 1 -13 8  4  o 22.12419 4.830021  -9.700392      9.660042 
1 1 1 -13 8  5  o 21.81287 5.497620  2.219376       10.99524 
1 1 1 -13 8  6  o 111.5350 3.022681  1.087372       6.045362 
1 1 1 -13 8  7  o 119.9019 2.255114  1.405319       4.510228 
1 1 1 -13 8  8  o 145.0489 2.313345  -3.745621      4.626691 
1 1 1 -13 8  9  o 127.4955 2.238706  6.467064       4.477412 
1 1 1 -13 8  10 o 171.8593 2.873880  -0.5070190     5.747759 
1 1 1 -13 8  11 o 181.5156 2.869396  0.2135468      5.738793 
1 1 1 -13 8  12 o 34.61117 4.021498  -3.309277      8.042996 
1 1 1 -13 8  13 o 124.6280 3.231826  2.076744       6.463651 
1 1 1 -13 8  14 o 197.7976 2.514508  -3.676468      5.029016 
1 1 1 -13 8  15 f 101.0098 2.743967  -2.739914      5.487934 
1 1 1 -13 8  16 o 68.70348 2.348108  10.77363       4.696216 
1 1 1 -13 8  17 o 92.26347 2.392333  4.770149       4.784665 
1 1 1 -13 8  18 o 101.7978 2.167833  -1.617767      4.335666 
1 1 1 -13 8  19 o 81.87350 2.303699  -0.9685898     4.607398 
1 1 1 -13 8  20 o 26.68363 4.620462  10.81078       9.240925 
1 1 1 -13 8  21 o 157.5733 2.357528  -0.8792419     4.715055 
1 1 1 -13 8  22 o 37.61958 4.919819  2.465424       9.839639 
1 1 1 -13 8  23 o 79.24880 2.423488  3.696747       4.846976 
1 1 1 -13 8  24 f 43.18690 3.948084  -8.103809      7.896169 
1 1 1 -13 8  25 o 109.8456 2.402352  -10.02356      4.804703 
1 1 1 -13 8  26 f 62.31612 3.985508  10.67075       7.971015 
1 1 1 -13 8  27 o 81.75581 2.592338  -8.502563      5.184676 
1 1 1 -13 8  28 o 43.76049 3.649915  -1.750870      7.299831 
1 1 1 -13 8  29 o 27.29229 5.666296  4.817236       11.33259 
1 1 1 -13 8  30 o 33.86088 5.266716  11.53789       10.53343 
1 1 1 -13 8  31 o 37.93641 3.682463  -3.605648      7.364926 
1 1 1 -13 8  32 o 40.80555 3.629953  -23.69972      7.259905 
1 1 1 -13 8  33 o 19.23890 4.523045  -13.03412      9.046090 
1 1 1 -13 8  34 o 15.28218 4.501633  -4.994667      9.003266 
1 1 1 -13 8  35 o 25.12218 5.689779  -6.105125      11.37956 
1 1 1 -13 9  1  o 199.7707 3.510542  ?              ?        
1 1 1 -13 9  2  o 371.5670 4.690493  3.087982       9.380985 
1 1 1 -13 9  3  o 57.63909 3.414603  -1.119850      6.829205 
1 1 1 -13 9  4  o 198.2497 3.105683  5.808502       6.211367 
1 1 1 -13 9  5  o 137.0466 2.802671  3.547516       5.605342 
1 1 1 -13 9  6  o 58.71455 3.424630  3.729465       6.849261 
1 1 1 -13 9  7  o 115.8713 2.737316  7.053429       5.474633 
1 1 1 -13 9  8  o 152.2355 2.393414  -1.956741      4.786827 
1 1 1 -13 9  9  o 118.8478 2.788693  6.337776       5.577386 
1 1 1 -13 9  10 o 143.1343 2.762324  3.523361       5.524648 
1 1 1 -13 9  11 o 84.51453 2.370813  -0.5906219     4.741626 
1 1 1 -13 9  12 o 100.3673 3.492546  10.10172       6.985092 
1 1 1 -13 9  13 o 220.7028 2.720508  6.244675       5.441016 
1 1 1 -13 9  14 o 140.7023 2.290455  3.298798       4.580910 
1 1 1 -13 9  15 o 98.49265 2.797385  -1.324898      5.594770 
1 1 1 -13 9  16 o 37.12520 3.755697  -7.198761      7.511395 
1 1 1 -13 9  17 o 80.66559 2.572417  -8.263084      5.144834 
1 1 1 -13 9  18 o 76.51082 2.484261  -7.057549      4.968523 
1 1 1 -13 9  19 o 46.20974 3.501292  -8.394608      7.002583 
1 1 1 -13 9  20 o 133.7019 2.427954  -7.560486      4.855908 
1 1 1 -13 9  21 o 31.23767 4.344800  -0.7917633     8.689601 
1 1 1 -13 9  22 o 17.22510 5.104811  -2.385494      10.20962 
1 1 1 -13 9  23 o 71.89078 2.824729  -13.36256      5.649459 
1 1 1 -13 9  24 o 96.91492 2.531568  -5.325157      5.063135 
1 1 1 -13 9  25 o 44.28514 3.811751  1.370132       7.623502 
1 1 1 -13 9  26 o 80.20988 3.790568  -15.02991      7.581136 
1 1 1 -13 9  27 o 29.35572 4.672074  -16.65465      9.344149 
1 1 1 -13 9  28 o 55.06744 4.374574  -11.16061      8.749147 
1 1 1 -13 9  29 o 26.02779 4.553983  -10.71507      9.107965 
1 1 1 -13 9  30 o 22.56653 4.975294  -19.71316      9.950587 
1 1 1 -13 9  31 o 18.52109 4.746065  -3.956247      9.492130 
1 1 1 -13 9  32 f 29.47390 4.237813  -2.929363      8.475627 
1 1 1 -13 9  33 o 19.80599 4.684937  -11.66059      9.369875 
1 1 1 -13 9  34 o 15.17315 4.493330  -12.09866      8.986659 
1 1 1 -13 9  35 o 13.18455 4.507594  -2.934691      9.015187 
1 1 1 -13 10 1  o 167.0587 2.914575  5.620911       5.829151 
1 1 1 -13 10 2  o 130.3864 2.762751  -4.020950      5.525503 
1 1 1 -13 10 3  o 87.40668 2.916609  -5.392281      5.833218 
1 1 1 -13 10 4  o 43.78490 4.311387  3.177658       8.622774 
1 1 1 -13 10 5  o 163.3651 2.922137  -1.408234      5.844275 
1 1 1 -13 10 6  o 140.3553 2.886440  5.805725       5.772879 
1 1 1 -13 10 7  o 144.7396 2.961423  14.22194       5.922847 
1 1 1 -13 10 8  o 154.7143 3.365770  2.023117       6.731539 
1 1 1 -13 10 9  o 184.0327 3.072031  0.4666901      6.144061 
1 1 1 -13 10 10 o 40.60579 4.892563  0.5986824      9.785127 
1 1 1 -13 10 11 o 86.15485 3.452403  4.370605       6.904806 
1 1 1 -13 10 12 o 116.5293 2.384625  4.481064       4.769250 
1 1 1 -13 10 13 o 43.52993 3.261056  -0.5103302E-01 6.522112 
1 1 1 -13 10 14 o 54.07188 2.842684  3.641911       5.685367 
1 1 1 -13 10 15 o 32.60152 4.580308  -11.15032      9.160617 
1 1 1 -13 10 16 o 47.68593 3.170294  -9.195808      6.340588 
1 1 1 -13 10 17 o 77.14711 2.793830  -6.262505      5.587659 
1 1 1 -13 10 18 o 126.4839 2.419558  -10.36991      4.839116 
1 1 1 -13 10 19 o 172.1547 3.112817  -3.214737      6.225634 
1 1 1 -13 10 20 o 134.1473 2.441236  -4.454681      4.882471 
1 1 1 -13 10 21 o 76.37854 3.159050  -1.726395      6.318099 
1 1 1 -13 10 22 o 90.33472 2.525319  5.486755       5.050637 
1 1 1 -13 10 23 o 92.96149 2.635808  1.038506       5.271616 
1 1 1 -13 10 24 o 60.76260 3.103149  4.654182       6.206298 
1 1 1 -13 10 25 o 77.82865 2.829416  -5.410965      5.658832 
1 1 1 -13 10 26 o 66.86972 4.391227  -11.44907      8.782454 
1 1 1 -13 10 27 o 28.82507 5.429625  0.2327919      10.85925 
1 1 1 -13 10 28 o 64.59830 3.094529  -16.80476      6.189058 
1 1 1 -13 10 29 o 19.07368 7.771251  ?              ?        
1 1 1 -13 10 30 o 15.99549 4.641914  0.5914106      9.283829 
1 1 1 -13 10 31 o 13.74885 4.242105  2.059024       8.484210 
1 1 1 -13 10 32 f 14.47149 4.394150  0.7197571E-01  8.788300 
1 1 1 -13 10 33 o 33.29658 3.970053  -36.40200      7.940106 
1 1 1 -13 10 34 o 25.44916 5.854873  -3.018295      11.70975 
1 1 1 -13 11 1  o 164.2695 2.946255  0.6992340      5.892511 
1 1 1 -13 11 2  o 195.3908 3.138957  1.788086       6.277915 
1 1 1 -13 11 3  o 52.56173 3.576410  3.325096       7.152819 
1 1 1 -13 11 4  o 149.9897 2.906427  1.797897       5.812854 
1 1 1 -13 11 5  f 107.4980 2.853570  0.3285217      5.707141 
1 1 1 -13 11 6  o 28.99268 5.346151  7.291704       10.69230 
1 1 1 -13 11 7  o 172.5865 3.544211  2.254669       7.088421 
1 1 1 -13 11 8  o 153.7991 2.981093  -11.62740      5.962186 
1 1 1 -13 11 9  o 26.11341 7.610433  ?              ?        
1 1 1 -13 11 10 o 59.60291 3.360511  9.081345       6.721021 
1 1 1 -13 11 11 f 54.72968 3.516776  -9.329044      7.033553 
1 1 1 -13 11 12 o 104.3883 2.855215  -0.8978958     5.710430 
1 1 1 -13 11 13 o 146.4005 2.444379  -3.731033      4.888757 
1 1 1 -13 11 14 o 42.86501 3.338933  1.977036       6.677866 
1 1 1 -13 11 15 o 29.78190 5.078812  -3.927523      10.15762 
1 1 1 -13 11 16 o 218.2259 2.836049  -0.2436523     5.672098 
1 1 1 -13 11 17 o 78.57777 3.354849  -2.418060      6.709698 
1 1 1 -13 11 18 o 49.44466 3.249379  -6.533176      6.498759 
1 1 1 -13 11 19 o 103.6984 2.555086  -8.544891      5.110172 
1 1 1 -13 11 20 o 158.1447 3.105817  0.3484344      6.211634 
1 1 1 -13 11 21 o 122.4814 2.516803  -6.316910      5.033606 
1 1 1 -13 11 22 o 109.1254 2.590136  1.240982       5.180272 
1 1 1 -13 11 23 o 77.60155 2.948472  3.182594       5.896945 
1 1 1 -13 11 24 o 39.63302 4.877071  -12.93840      9.754143 
1 1 1 -13 11 25 o 63.88119 3.367304  -8.731052      6.734608 
1 1 1 -13 11 26 o 28.24592 6.498413  1.861376       12.99683 
1 1 1 -13 11 27 o 74.45860 3.537716  -12.50040      7.075431 
1 1 1 -13 11 28 f 12.79847 4.276755  1.490610       8.553511 
1 1 1 -13 11 29 o 16.14488 4.538815  -5.421035      9.077629 
1 1 1 -13 11 30 o 19.78005 4.813852  -5.976133      9.627705 
1 1 1 -13 11 31 o 24.86727 4.150678  -18.93617      8.301355 
1 1 1 -13 11 32 o 44.57656 3.538074  -39.45067      7.076149 
1 1 1 -13 11 33 o 12.50186 4.119157  -0.1314564     8.238314 
1 1 1 -13 11 34 o 22.89591 6.031147  -17.75271      12.06229 
1 1 1 -13 12 1  o 137.6361 2.880985  3.810181       5.761970 
1 1 1 -13 12 2  o 231.0371 3.556034  10.85913       7.112067 
1 1 1 -13 12 3  o 165.8939 3.064989  4.382309       6.129978 
1 1 1 -13 12 4  o 79.15684 3.050239  1.651505       6.100477 
1 1 1 -13 12 5  o 87.97864 3.688787  2.163200       7.377574 
1 1 1 -13 12 6  o 61.54758 3.798432  -0.1232834     7.596864 
1 1 1 -13 12 7  o 28.97416 5.777525  4.361982       11.55505 
1 1 1 -13 12 8  o 120.1679 4.745315  ?              ?        
1 1 1 -13 12 9  o 111.1930 2.947876  16.70389       5.895751 
1 1 1 -13 12 10 o 147.1569 2.977157  -5.214783      5.954314 
1 1 1 -13 12 11 o 68.65405 3.181900  -1.193695      6.363800 
1 1 1 -13 12 12 o 122.2146 2.892317  4.150192       5.784633 
1 1 1 -13 12 13 o 150.5412 2.985733  1.447830       5.971465 
1 1 1 -13 12 14 o 71.22093 3.184255  -5.168022      6.368511 
1 1 1 -13 12 15 o 125.5136 3.010679  5.314064       6.021358 
1 1 1 -13 12 16 o 93.43802 3.462173  0.4526291      6.924346 
1 1 1 -13 12 17 o 58.01574 3.680142  -10.21295      7.360284 
1 1 1 -13 12 18 o 73.79958 4.465085  1.611237       8.930170 
1 1 1 -13 12 19 o 83.38242 2.839797  -4.303192      5.679595 
1 1 1 -13 12 20 o 28.68892 5.098784  -3.149376      10.19757 
1 1 1 -13 12 21 o 48.94841 4.354177  -13.54339      8.708353 
1 1 1 -13 12 22 o 26.21287 5.190187  -10.21297      10.38037 
1 1 1 -13 12 23 o 91.29842 2.861326  -1.556686      5.722653 
1 1 1 -13 12 24 o 48.33188 5.747797  2.345142       11.49559 
1 1 1 -13 12 25 o 30.50455 5.534530  -9.509521      11.06906 
1 1 1 -13 12 26 f 28.81297 6.033752  ?              ?        
1 1 1 -13 12 27 o 44.03445 5.122737  -3.844196      10.24547 
1 1 1 -13 12 28 o 41.20238 4.582738  -23.73621      9.165477 
1 1 1 -13 12 29 o 19.82302 4.666907  -1.076340      9.333815 
1 1 1 -13 12 30 o 11.44601 3.753193  -0.8367710     7.506385 
1 1 1 -13 12 31 o 40.27590 3.699100  -22.63432      7.398201 
1 1 1 -13 12 32 o 28.35472 5.390404  -6.829466      10.78081 
1 1 1 -13 12 33 o 35.18864 5.223534  -26.29585      10.44707 
1 1 1 -13 13 1  o 89.14398 3.209713  -4.477806      6.419425 
1 1 1 -13 13 2  o 119.8312 3.585531  0.7056427E-01  7.171062 
1 1 1 -13 13 3  o 97.29759 4.033456  11.34403       8.066913 
1 1 1 -13 13 4  o 62.26942 3.655135  1.299942       7.310270 
1 1 1 -13 13 5  o 69.28809 3.232535  -6.301003      6.465070 
1 1 1 -13 13 6  o 120.4010 3.300118  ?              ?        
1 1 1 -13 13 7  o 77.63232 3.197554  12.36996       6.395108 
1 1 1 -13 13 8  o 75.32323 5.484006  ?              ?        
1 1 1 -13 13 9  o 77.66785 3.137407  -4.027565      6.274814 
1 1 1 -13 13 10 o 44.49574 4.015660  2.753490       8.031320 
1 1 1 -13 13 11 o 100.2817 2.934208  -11.38183      5.868416 
1 1 1 -13 13 12 o 86.35591 3.040297  3.952324       6.080593 
1 1 1 -13 13 13 o 90.43774 3.112237  -2.041115      6.224473 
1 1 1 -13 13 14 o 62.77741 3.730040  -11.19436      7.460081 
1 1 1 -13 13 15 o 32.38261 6.193984  7.035225       12.38797 
1 1 1 -13 13 16 o 94.61812 3.224723  -2.180794      6.449447 
1 1 1 -13 13 17 x ?        ?         ?              ?        
1 1 1 -13 13 18 o 94.84168 3.756532  -7.867676      7.513065 
1 1 1 -13 13 19 o 45.47380 5.447071  4.421356       10.89414 
1 1 1 -13 13 20 o 34.57372 5.133512  6.469416       10.26702 
1 1 1 -13 13 21 o 54.60955 3.818107  1.265823       7.636213 
1 1 1 -13 13 22 o 55.44952 4.110539  -18.52567      8.221078 
1 1 1 -13 13 23 o 84.29124 3.048494  -4.718307      6.096988 
1 1 1 -13 13 24 o 22.15767 9.348913  ?              ?        
1 1 1 -13 13 25 o 43.82769 4.710425  14.72989       9.420850 
1 1 1 -13 13 26 o 35.71119 4.836701  -31.24702      9.673402 
1 1 1 -13 13 27 o 14.83351 4.700348  2.669695       9.400696 
1 1 1 -13 13 28 o 21.56773 4.473562  -11.10135      8.947124 
1 1 1 -13 13 29 o 19.60987 4.400562  -10.25124      8.801125 
1 1 1 -13 13 30 o 13.99902 4.276551  -2.024033      8.553102 
1 1 1 -13 13 31 o 21.02799 4.447438  -12.35864      8.894876 
1 1 1 -13 13 32 o 13.90556 4.592129  -4.719005      9.184258 
1 1 1 -13 14 1  o 69.90781 3.422220  -4.680481      6.844440 
1 1 1 -13 14 2  o 37.46356 4.906469  1.353760       9.812938 
1 1 1 -13 14 3  o 131.0261 3.467660  ?              ?        
1 1 1 -13 14 4  o 82.90025 3.643183  ?              ?        
1 1 1 -13 14 5  o 178.9696 3.258280  8.085831       6.516559 
1 1 1 -13 14 6  o 57.05802 3.500707  1.984177       7.001413 
1 1 1 -13 14 7  o 72.93021 3.233962  3.796417       6.467925 
1 1 1 -13 14 8  o 99.65943 3.194524  9.173386       6.389048 
1 1 1 -13 14 9  o 68.60664 3.424577  0.3634109      6.849154 
1 1 1 -13 14 10 o 147.4367 3.124885  -9.072968      6.249769 
1 1 1 -13 14 11 o 44.73496 4.525119  -4.911068      9.050239 
1 1 1 -13 14 12 o 71.81583 3.457438  -0.6905365E-01 6.914876 
1 1 1 -13 14 13 o 86.51077 3.729037  -7.851738      7.458073 
1 1 1 -13 14 14 o 92.82300 3.276659  -7.147247      6.553318 
1 1 1 -13 14 15 o 20.07914 5.646405  8.639010       11.29281 
1 1 1 -13 14 16 x ?        ?         ?              ?        
1 1 1 -13 14 17 o 91.54762 3.880947  5.008278       7.761894 
1 1 1 -13 14 18 o 84.80692 4.026621  -5.275063      8.053242 
1 1 1 -13 14 19 o 39.61760 5.535235  -35.44408      11.07047 
1 1 1 -13 14 20 o 71.02568 4.278536  -11.82288      8.557072 
1 1 1 -13 14 21 o 43.80272 5.425675  3.937351       10.85135 
1 1 1 -13 14 22 o 40.75915 5.442722  3.055042       10.88544 
1 1 1 -13 14 23 o 37.60800 6.232389  -4.528824      12.46478 
1 1 1 -13 14 24 o 42.79810 5.302320  -18.37789      10.60464 
1 1 1 -13 14 25 o 21.86091 5.975247  11.44054       11.95049 
1 1 1 -13 14 26 o 14.69768 4.579674  4.022042       9.159348 
1 1 1 -13 14 27 o 15.96207 4.532942  -2.524926      9.065885 
1 1 1 -13 14 28 o 26.44096 4.497779  -9.501610      8.995558 
1 1 1 -13 14 29 o 11.93925 3.897758  -5.364958      7.795515 
1 1 1 -13 14 30 o 38.37456 4.990567  ?              ?        
1 1 1 -13 14 31 o 13.62112 4.425606  -2.542924      8.851212 
1 1 1 -13 14 32 f 27.33273 8.948473  ?              ?        
1 1 1 -13 15 1  o 85.43874 4.668937  ?              ?        
1 1 1 -13 15 2  o 53.42023 4.031282  0.5079613      8.062565 
1 1 1 -13 15 3  o 110.1377 3.341025  4.122803       6.682050 
1 1 1 -13 15 4  o 71.46086 3.432195  5.497871       6.864389 
1 1 1 -13 15 5  o 113.7104 3.061392  -9.233772      6.122784 
1 1 1 -13 15 6  o 45.11533 4.225102  -2.307636      8.450205 
1 1 1 -13 15 7  o 95.57551 3.156592  4.286102       6.313185 
1 1 1 -13 15 8  o 70.74916 3.548223  -4.944801      7.096445 
1 1 1 -13 15 9  o 74.55707 3.360544  21.23576       6.721087 
1 1 1 -13 15 10 o 67.16093 3.614734  -0.9133148E-01 7.229468 
1 1 1 -13 15 11 o 20.30031 5.742666  -7.122406      11.48533 
1 1 1 -13 15 12 o 81.53825 3.393333  -0.6580811     6.786667 
1 1 1 -13 15 13 o 99.98911 3.266601  0.6770325      6.533203 
1 1 1 -13 15 14 x ?        ?         ?              ?        
1 1 1 -13 15 15 f 47.59560 5.343164  6.344540       10.68633 
1 1 1 -13 15 16 o 85.37681 4.024841  7.022919       8.049682 
1 1 1 -13 15 17 o 69.12155 4.396918  6.098801       8.793837 
1 1 1 -13 15 18 o 56.08342 4.987993  7.839111       9.975986 
1 1 1 -13 15 19 o 105.2865 3.988395  5.195137       7.976791 
1 1 1 -13 15 20 o 36.15661 6.120175  0.2830505E-01  12.24035 
1 1 1 -13 15 21 f 36.88199 6.463591  7.034912       12.92718 
1 1 1 -13 15 22 o 50.17933 4.822881  1.343468       9.645762 
1 1 1 -13 15 23 o 25.01769 5.862747  -4.419689      11.72549 
1 1 1 -13 15 24 o 51.78790 5.355787  -13.79668      10.71157 
1 1 1 -13 15 25 o 24.57047 5.825762  4.371723       11.65152 
1 1 1 -13 15 26 o 16.56110 7.586858  ?              ?        
1 1 1 -13 15 27 o 13.81777 4.390525  0.6856155      8.781050 
1 1 1 -13 15 28 o 16.80717 4.566863  -6.785758      9.133725 
1 1 1 -13 15 29 o 25.66574 4.234554  -20.65256      8.469108 
1 1 1 -13 15 30 o 16.95513 5.163145  -0.1573563E-01 10.32629 
1 1 1 -13 15 31 o 20.31147 8.549197  ?              ?        
1 1 1 -13 16 1  o 205.7186 3.903102  -2.086746      7.806204 
1 1 1 -13 16 2  o 44.83131 4.575545  8.505653       9.151090 
1 1 1 -13 16 3  o 39.30195 5.457724  -11.52421      10.91545 
1 1 1 -13 16 4  o 164.0918 3.234653  3.186554       6.469306 
1 1 1 -13 16 5  o 45.33417 7.220815  ?              ?        
1 1 1 -13 16 6  o 103.1652 3.192792  -10.03387      6.385585 
1 1 1 -13 16 7  o 34.04833 5.150986  -9.339819      10.30197 
1 1 1 -13 16 8  o 48.63142 4.227573  7.819435       8.455146 
1 1 1 -13 16 9  o 41.14449 6.203093  0.2780762      12.40619 
1 1 1 -13 16 10 o 31.68029 6.004879  1.835560       12.00976 
1 1 1 -13 16 11 o 28.88578 6.144778  -4.833651      12.28956 
1 1 1 -13 16 12 o 84.17696 5.302038  ?              ?        
1 1 1 -13 16 13 o 22.58442 5.905941  10.16525       11.81188 
1 1 1 -13 16 14 o 84.81563 4.119804  1.674995       8.239608 
1 1 1 -13 16 15 o 66.15836 4.606236  -3.690407      9.212471 
1 1 1 -13 16 16 o 113.4711 4.089993  -15.77553      8.179985 
1 1 1 -13 16 17 o 132.2873 4.036529  -7.163284      8.073057 
1 1 1 -13 16 18 o 44.63921 6.911218  2.006641       13.82244 
1 1 1 -13 16 19 o 27.34864 7.079080  -2.214062      14.15816 
1 1 1 -13 16 20 f 75.01917 4.324396  7.802521       8.648791 
1 1 1 -13 16 21 o 89.52209 3.782186  -4.822487      7.564371 
1 1 1 -13 16 22 o 13.34743 6.087091  ?              ?        
1 1 1 -13 16 23 o 64.74789 4.491405  -10.33815      8.982809 
1 1 1 -13 16 24 o 39.69206 9.504167  ?              ?        
1 1 1 -13 16 25 o 49.70277 4.255791  -2.421028      8.511582 
1 1 1 -13 16 26 o 30.69175 4.573521  -19.70629      9.147041 
1 1 1 -13 16 27 o 29.94625 4.570551  -12.80256      9.141102 
1 1 1 -13 16 28 o 18.75592 4.887651  -12.86024      9.775303 
1 1 1 -13 16 29 o 23.79401 5.695220  -1.004772      11.39044 
1 1 1 -13 16 30 f 41.91296 7.690510  ?              ?        
1 1 1 -13 17 1  f 84.66002 3.640293  14.83226       7.280585 
1 1 1 -13 17 2  o 87.40421 3.590870  -13.81940      7.181740 
1 1 1 -13 17 3  o 90.27553 3.664057  7.046852       7.328115 
1 1 1 -13 17 4  o 103.0684 3.581743  -1.554413      7.163487 
1 1 1 -13 17 5  o 19.87489 5.634031  7.601406       11.26806 
1 1 1 -13 17 6  o 23.34300 5.611733  18.70068       11.22347 
1 1 1 -13 17 7  o 104.5680 4.109137  -3.610466      8.218273 
1 1 1 -13 17 8  o 43.80941 5.481102  -12.28375      10.96220 
1 1 1 -13 17 9  o 52.39780 5.195541  18.33990       10.39108 
1 1 1 -13 17 10 o 53.64861 4.936957  ?              ?        
1 1 1 -13 17 11 f 84.83258 3.658625  -14.74007      7.317250 
1 1 1 -13 17 12 o 34.96122 5.879557  -6.151598      11.75911 
1 1 1 -13 17 13 o 36.07414 6.014316  8.068573       12.02863 
1 1 1 -13 17 14 o 39.47518 6.934527  0.8861542      13.86905 
1 1 1 -13 17 15 o 113.0352 4.211665  -9.195015      8.423329 
1 1 1 -13 17 16 o 170.6930 4.119364  6.561111       8.238728 
1 1 1 -13 17 17 o 103.6249 4.172609  4.050293       8.345219 
1 1 1 -13 17 18 o 101.0240 4.191148  -10.51485      8.382297 
1 1 1 -13 17 19 o 62.84431 5.677311  -23.28402      11.35462 
1 1 1 -13 17 20 o 44.80933 5.374977  14.16240       10.74995 
1 1 1 -13 17 21 o 57.35395 6.320192  ?              ?        
1 1 1 -13 17 22 o 55.79615 4.872666  -15.85169      9.745333 
1 1 1 -13 17 23 o 25.31527 5.914931  14.11723       11.82986 
1 1 1 -13 17 24 o 33.63275 4.997267  -4.646465      9.994534 
1 1 1 -13 17 25 o 13.99220 4.346649  -2.297036      8.693297 
1 1 1 -13 17 26 o 23.46607 4.648729  -8.690716      9.297459 
1 1 1 -13 17 27 o 25.79066 5.459417  4.600647       10.91883 
1 1 1 -13 17 28 o 17.74725 5.222400  1.033016       10.44480 
1 1 1 -13 17 29 o 28.16963 9.209156  ?              ?        
1 1 1 -13 18 1  o 66.02972 4.335944  -9.621063      8.671888 
1 1 1 -13 18 2  o 74.14571 4.147810  -1.347946      8.295621 
1 1 1 -13 18 3  o 73.95985 4.142227  4.825081       8.284453 
1 1 1 -13 18 4  o 71.25040 6.100341  ?              ?        
1 1 1 -13 18 5  o 22.93027 6.232463  4.985847       12.46493 
1 1 1 -13 18 6  o 90.63657 4.024055  9.611130       8.048109 
1 1 1 -13 18 7  o 135.6633 4.026503  ?              ?        
1 1 1 -13 18 8  o 109.3194 4.078524  ?              ?        
1 1 1 -13 18 9  o 111.5899 4.573277  13.14824       9.146553 
1 1 1 -13 18 10 o 31.12059 6.504609  -2.800215      13.00922 
1 1 1 -13 18 11 o 52.48831 4.714214  -4.167557      9.428428 
1 1 1 -13 18 12 o 30.74565 6.596758  7.957527       13.19352 
1 1 1 -13 18 13 o 29.90701 6.575998  1.238932       13.15200 
1 1 1 -13 18 14 o 49.67070 6.499475  -30.00527      12.99895 
1 1 1 -13 18 15 o 60.22228 5.828225  28.17208       11.65645 
1 1 1 -13 18 16 o 92.87438 4.395471  17.89536       8.790941 
1 1 1 -13 18 17 o 29.59711 6.195410  25.54663       12.39082 
1 1 1 -13 18 18 o 49.95407 5.755744  -2.780624      11.51149 
1 1 1 -13 18 19 x ?        ?         ?              ?        
1 1 1 -13 18 20 o 22.26630 6.504905  -2.149471      13.00981 
1 1 1 -13 18 21 o 17.31342 5.419442  10.56856       10.83888 
1 1 1 -13 18 22 o 26.64146 5.179819  -11.89136      10.35964 
1 1 1 -13 18 23 f 31.51864 5.097167  -10.04200      10.19433 
1 1 1 -13 18 24 o 25.11093 4.893251  13.36198       9.786503 
1 1 1 -13 18 25 f 19.07698 4.803731  4.545582       9.607463 
1 1 1 -13 18 26 o 14.08690 4.480199  -3.714281      8.960398 
1 1 1 -13 18 27 o 18.27326 5.117431  -7.241699      10.23486 
1 1 1 -13 18 28 o 30.39945 8.942290  ?              ?        
1 1 1 -13 19 1  o 54.83219 6.684222  ?              ?        
1 1 1 -13 19 2  o 20.72735 6.203178  1.643599       12.40636 
1 1 1 -13 19 3  o 41.24683 6.085932  -5.819424      12.17186 
1 1 1 -13 19 4  o 61.27049 6.154046  ?              ?        
1 1 1 -13 19 5  o 106.4283 5.474875  ?              ?        
1 1 1 -13 19 6  o 108.4705 3.492000  -12.42632      6.984000 
1 1 1 -13 19 7  o 43.28763 5.522779  -4.277977      11.04556 
1 1 1 -13 19 8  o 49.28791 5.030299  0.4142418      10.06060 
1 1 1 -13 19 9  o 47.74529 9.878713  ?              ?        
1 1 1 -13 19 10 o 27.87323 6.484253  -5.645752      12.96851 
1 1 1 -13 19 11 o 43.80283 6.005533  -26.49998      12.01107 
1 1 1 -13 19 12 o 36.04980 6.310414  -13.07269      12.62083 
1 1 1 -13 19 13 o 69.32449 4.601954  -22.10233      9.203908 
1 1 1 -13 19 14 o 30.06774 7.386452  2.742535       14.77290 
1 1 1 -13 19 15 o 37.01327 7.449471  -6.870155      14.89894 
1 1 1 -13 19 16 o 27.57513 7.063739  -3.559305      14.12748 
1 1 1 -13 19 17 x ?        ?         ?              ?        
1 1 1 -13 19 18 o 22.88762 6.462427  -1.918180      12.92485 
1 1 1 -13 19 19 o 20.01505 5.934663  -2.669277      11.86933 
1 1 1 -13 19 20 o 15.71182 5.136027  -0.5063791     10.27205 
1 1 1 -13 19 21 o 13.86019 4.330379  -7.046482      8.660759 
1 1 1 -13 19 22 o 32.40530 4.685183  -12.84324      9.370365 
1 1 1 -13 19 23 o 17.62478 5.103282  3.670083       10.20656 
1 1 1 -13 19 24 o 16.18475 4.823209  -5.629875      9.646419 
1 1 1 -13 19 25 o 15.88064 4.863921  -4.868599      9.727841 
1 1 1 -13 19 26 o 16.64179 7.292493  ?              ?        
1 1 1 -13 19 27 x ?        ?         ?              ?        
1 1 1 -13 20 1  o 27.48368 9.774078  ?              ?        
1 1 1 -13 20 2  o 68.20755 4.538478  -6.968330      9.076957 
1 1 1 -13 20 3  o 29.43224 6.804041  -3.478060      13.60808 
1 1 1 -13 20 4  o 19.87178 5.973362  2.104929       11.94672 
1 1 1 -13 20 5  o 43.41011 6.015817  -29.74515      12.03163 
1 1 1 -13 20 6  o 31.87334 7.111280  0.9150791      14.22256 
1 1 1 -13 20 7  o 84.81754 3.892220  -3.205032      7.784441 
1 1 1 -13 20 8  o 63.49120 4.620837  2.772243       9.241674 
1 1 1 -13 20 9  o 59.60574 4.856538  -2.111809      9.713077 
1 1 1 -13 20 10 o 26.48399 6.387447  -8.939344      12.77489 
1 1 1 -13 20 11 o 61.03744 4.712064  3.150738       9.424129 
1 1 1 -13 20 12 o 36.73760 7.209319  -12.99848      14.41864 
1 1 1 -13 20 13 o 21.29708 6.339341  -9.044760      12.67868 
1 1 1 -13 20 14 o 42.52807 6.560554  3.563515       13.12111 
1 1 1 -13 20 15 x ?        ?         ?              ?        
1 1 1 -13 20 16 o 28.19633 6.916048  0.8488884      13.83210 
1 1 1 -13 20 17 o 18.19769 5.785647  2.066084       11.57129 
1 1 1 -13 20 18 f 30.37436 6.226930  -14.84958      12.45386 
1 1 1 -13 20 19 o 24.33701 6.184913  10.31617       12.36983 
1 1 1 -13 20 20 o 25.21695 5.333766  21.00589       10.66753 
1 1 1 -13 20 21 o 12.26821 4.086173  3.902209       8.172346 
1 1 1 -13 20 22 o 17.30070 4.823308  10.74457       9.646616 
1 1 1 -13 20 23 o 20.47945 5.443668  -5.500452      10.88734 
1 1 1 -13 20 24 o 16.38625 4.980385  -6.727189      9.960770 
1 1 1 -13 20 25 o 19.89855 7.965338  ?              ?        
1 1 1 -13 20 26 x ?        ?         ?              ?        
1 1 1 -13 21 1  o 23.65499 6.434702  -7.944168      12.86940 
1 1 1 -13 21 2  o 46.15099 5.702019  -3.183163      11.40404 
1 1 1 -13 21 3  o 103.7133 4.081109  -6.619606      8.162218 
1 1 1 -13 21 4  o 24.35410 6.310851  13.73281       12.62170 
1 1 1 -13 21 5  o 28.58598 7.081213  -0.5183887     14.16243 
1 1 1 -13 21 6  o 67.58832 4.812736  -5.397514      9.625472 
1 1 1 -13 21 7  o 40.00577 6.685289  -3.469723      13.37058 
1 1 1 -13 21 8  o 28.43184 6.476786  -6.203524      12.95357 
1 1 1 -13 21 9  o 29.22067 6.382384  -10.15969      12.76477 
1 1 1 -13 21 10 o 24.95559 7.064173  -14.16918      14.12835 
1 1 1 -13 21 11 o 22.89375 5.658885  -12.68051      11.31777 
1 1 1 -13 21 12 o 25.21211 6.397675  14.06097       12.79535 
1 1 1 -13 21 13 o 21.97495 7.888880  ?              ?        
1 1 1 -13 21 14 o 54.19662 5.241764  6.969746       10.48353 
1 1 1 -13 21 15 o 19.90685 6.005251  1.526937       12.01050 
1 1 1 -13 21 16 o 31.45425 5.910742  19.87286       11.82148 
1 1 1 -13 21 17 o 34.32442 6.176222  -2.718933      12.35244 
1 1 1 -13 21 18 o 19.23004 5.623549  5.213165       11.24710 
1 1 1 -13 21 19 o 14.06764 4.581918  2.891206       9.163836 
1 1 1 -13 21 20 o 17.75128 5.298099  -1.525286      10.59620 
1 1 1 -13 21 21 o 22.78100 5.674303  1.191338       11.34861 
1 1 1 -13 21 22 o 18.57653 5.379734  -0.5143070     10.75947 
1 1 1 -13 21 23 o 14.47246 6.733661  ?              ?        
1 1 1 -13 21 24 x ?        ?         ?              ?        
1 1 1 -13 21 25 x ?        ?         ?              ?        
1 1 1 -13 22 1  o 20.60339 8.552112  ?              ?        
1 1 1 -13 22 2  o 25.34337 6.350658  0.4979534      12.70132 
1 1 1 -13 22 3  o 26.56718 6.092134  -18.75506      12.18427 
1 1 1 -13 22 4  o 94.76060 4.108472  -6.087364      8.216945 
1 1 1 -13 22 5  o 29.75839 6.384340  -14.76912      12.76868 
1 1 1 -13 22 6  o 39.89581 6.443163  10.56484       12.88633 
1 1 1 -13 22 7  o 30.28349 9.638421  ?              ?        
1 1 1 -13 22 8  o 30.95786 6.654863  -0.7497787E-01 13.30973 
1 1 1 -13 22 9  o 35.83517 6.166584  17.79847       12.33317 
1 1 1 -13 22 10 o 31.17952 7.606618  ?              ?        
1 1 1 -13 22 11 o 57.84337 4.202305  2.887058       8.404610 
1 1 1 -13 22 12 o 39.00318 5.387257  -3.967995      10.77451 
1 1 1 -13 22 13 o 28.51690 5.877174  3.868359       11.75435 
1 1 1 -13 22 14 o 28.39660 6.086385  -17.98470      12.17277 
1 1 1 -13 22 15 o 38.32211 5.873472  13.19177       11.74694 
1 1 1 -13 22 16 o 18.52853 5.509446  2.806486       11.01889 
1 1 1 -13 22 17 o 17.71147 5.301272  8.059451       10.60254 
1 1 1 -13 22 18 o 26.19791 5.617275  -14.88800      11.23455 
1 1 1 -13 22 19 o 17.06927 5.085711  -1.867178      10.17142 
1 1 1 -13 22 20 o 17.38390 5.190896  -3.330883      10.38179 
1 1 1 -13 22 21 o 18.80318 8.004320  ?              ?        
1 1 1 -13 22 22 x ?        ?         ?              ?        
1 1 1 -13 22 23 x ?        ?         ?              ?        
1 1 1 -13 23 1  o 26.65321 9.141384  ?              ?        
1 1 1 -13 23 2  o 38.70901 8.613546  ?              ?        
1 1 1 -13 23 3  o 44.81668 8.051014  ?              ?        
1 1 1 -13 23 4  o 44.36089 5.494216  -3.968643      10.98843 
1 1 1 -13 23 5  o 41.88120 5.444947  -17.41156      10.88989 
1 1 1 -13 23 6  o 49.03225 5.215449  -9.107590      10.43090 
1 1 1 -13 23 7  o 51.99400 6.472864  ?              ?        
1 1 1 -13 23 8  o 46.52988 5.126928  8.812664       10.25386 
1 1 1 -13 23 9  f 33.87082 5.082134  -2.348530      10.16427 
1 1 1 -13 23 10 o 19.55525 5.315674  -3.079399      10.63135 
1 1 1 -13 23 11 o 48.06078 4.612675  -16.60338      9.225349 
1 1 1 -13 23 12 o 30.98420 5.370576  6.374487       10.74115 
1 1 1 -13 23 13 o 15.67665 4.662207  -5.454647      9.324414 
1 1 1 -13 23 14 o 53.23666 4.642602  -2.850842      9.285204 
1 1 1 -13 23 15 o 40.96256 5.709025  4.560913       11.41805 
1 1 1 -13 23 16 o 26.56539 5.676951  -13.33729      11.35390 
1 1 1 -13 23 17 o 11.03451 3.817714  -0.8000011     7.635428 
1 1 1 -13 23 18 o 27.15474 5.915049  -0.7889366E-01 11.83010 
1 1 1 -13 23 19 x ?        ?         ?              ?        
1 1 1 -13 23 20 x ?        ?         ?              ?        
1 1 1 -13 23 21 x ?        ?         ?              ?        
1 1 1 -13 23 22 x ?        ?         ?              ?        
1 1 1 -13 24 1  o 33.26218 7.743533  ?              ?        
1 1 1 -13 24 2  f 47.81313 6.534123  ?              ?        
1 1 1 -13 24 3  o 48.79204 6.437189  ?              ?        
1 1 1 -13 24 4  o 23.90819 5.866501  -9.786926      11.73300 
1 1 1 -13 24 5  o 16.91177 5.056485  -8.380254      10.11297 
1 1 1 -13 24 6  o 22.85464 5.809243  11.76279       11.61849 
1 1 1 -13 24 7  o 19.89314 5.203895  -10.71518      10.40779 
1 1 1 -13 24 8  o 16.98962 5.071116  3.719301       10.14223 
1 1 1 -13 24 9  o 26.60119 5.262320  2.702208       10.52464 
1 1 1 -13 24 10 o 23.70045 8.804973  ?              ?        
1 1 1 -13 24 11 o 18.70335 5.095137  -0.7809219     10.19027 
1 1 1 -13 24 12 o 40.71114 4.103550  8.953903       8.207100 
1 1 1 -13 24 13 o 44.38197 3.738640  0.2964020E-02  7.477279 
1 1 1 -13 24 14 f 28.25308 5.046698  16.57551       10.09340 
1 1 1 -13 24 15 o 15.18949 4.768197  -8.173280      9.536393 
1 1 1 -13 24 16 o 13.30627 6.043422  ?              ?        
1 1 1 -13 24 17 x ?        ?         ?              ?        
1 1 1 -13 24 18 x ?        ?         ?              ?        
1 1 1 -13 24 19 x ?        ?         ?              ?        
1 1 1 -13 24 20 x ?        ?         ?              ?        
1 1 1 -13 25 1  o 35.06026 6.775218  ?              ?        
1 1 1 -13 25 2  o 30.44744 6.882475  ?              ?        
1 1 1 -13 25 3  o 17.12154 7.143430  ?              ?        
1 1 1 -13 25 4  o 44.44765 4.176160  1.264957       8.352320 
1 1 1 -13 25 5  o 14.96670 4.725232  3.382451       9.450463 
1 1 1 -13 25 6  o 34.28990 5.339862  -6.639603      10.67972 
1 1 1 -13 25 7  o 17.64045 4.938957  9.505908       9.877913 
1 1 1 -13 25 8  o 16.19769 4.651560  9.728131       9.303121 
1 1 1 -13 25 9  o 11.34226 3.725762  3.182817       7.451525 
1 1 1 -13 25 10 o 15.49844 6.223063  ?              ?        
1 1 1 -13 25 11 o 31.09280 5.815939  -5.835007      11.63188 
1 1 1 -13 25 12 o 24.77692 5.310328  11.77604       10.62066 
1 1 1 -13 25 13 o 10.79550 5.082437  ?              ?        
1 1 1 -13 25 14 x ?        ?         ?              ?        
1 1 1 -13 25 15 x ?        ?         ?              ?        
1 1 1 -13 25 16 x ?        ?         ?              ?        
1 1 1 -13 25 17 x ?        ?         ?              ?        
1 1 1 -13 25 18 x ?        ?         ?              ?        
1 1 1 -13 26 1  o 21.46009 6.959335  ?              ?        
1 1 1 -13 26 2  o 32.27084 6.439313  ?              ?        
1 1 1 -13 26 3  o 22.45143 7.247934  ?              ?        
1 1 1 -13 26 4  o 17.38899 6.884517  ?              ?        
1 1 1 -13 26 5  o 18.00636 4.924591  5.014226       9.849181 
1 1 1 -13 26 6  o 17.91141 4.970276  2.578979       9.940553 
1 1 1 -13 26 7  o 29.34891 7.039581  ?              ?        
1 1 1 -13 26 8  o 18.84298 7.320029  ?              ?        
1 1 1 -13 26 9  o 16.12877 6.672915  ?              ?        
1 1 1 -13 26 10 o 12.81082 5.785894  ?              ?        
1 1 1 -13 26 11 x ?        ?         ?              ?        
1 1 1 -13 26 12 x ?        ?         ?              ?        
1 1 1 -13 26 13 x ?        ?         ?              ?        
1 1 1 -13 26 14 x ?        ?         ?              ?        
1 1 1 -13 26 15 x ?        ?         ?              ?        
1 1 1 -13 27 1  o 14.27283 6.177311  ?              ?        
1 1 1 -13 27 2  x ?        ?         ?              ?        
1 1 1 -13 27 3  x ?        ?         ?              ?        
1 1 1 -13 27 4  x ?        ?         ?              ?        
1 1 1 -13 27 5  x ?        ?         ?              ?        
1 1 1 -13 27 6  x ?        ?         ?              ?        
1 1 1 -13 27 7  x ?        ?         ?              ?        
1 1 1 -13 27 8  x ?        ?         ?              ?        
1 1 1 -13 27 9  x ?        ?         ?              ?        
1 1 1 -13 27 10 x ?        ?         ?              ?        
1 1 1 -13 27 11 x ?        ?         ?              ?        
1 1 1 -12 0  1  o 195.4712 2.780119  -0.000000      0.000000 
1 1 1 -12 0  2  o 203.6539 2.869826  -0.000000      0.000000 
1 1 1 -12 0  3  o 42.83773 1.653844  -0.000000      0.000000 
1 1 1 -12 0  4  o 56.97501 1.569214  -0.000000      0.000000 
1 1 1 -12 0  5  o 287.9712 5.578673  -0.000000      0.000000 
1 1 1 -12 0  6  f 75.92517 1.669733  -0.000000      0.000000 
1 1 1 -12 0  7  o 340.8305 4.619495  -0.000000      0.000000 
1 1 1 -12 0  8  o 198.2641 2.856537  -0.000000      0.000000 
1 1 1 -12 0  9  o 176.3364 3.631563  -0.000000      0.000000 
1 1 1 -12 0  10 o 11.47554 5.570282  -0.000000      0.000000 
1 1 1 -12 0  11 o 35.71125 2.462715  -0.000000      0.000000 
1 1 1 -12 0  12 o 166.2669 2.568347  -0.000000      0.000000 
1 1 1 -12 0  13 o 64.83274 2.181088  -0.000000      0.000000 
1 1 1 -12 0  14 o 187.0626 2.874079  -0.000000      0.000000 
1 1 1 -12 0  15 o 56.23151 4.445243  -0.000000      0.000000 
1 1 1 -12 0  16 o 252.0757 5.254115  -0.000000      0.000000 
1 1 1 -12 0  17 o 134.3467 2.395055  -0.000000      0.000000 
1 1 1 -12 0  18 o 70.76320 2.823523  -0.000000      0.000000 
1 1 1 -12 0  19 o 97.53319 2.265102  -0.000000      0.000000 
1 1 1 -12 0  20 o 16.19303 6.360925  -0.000000      0.000000 
1 1 1 -12 0  21 o 76.56960 2.348118  -0.000000      0.000000 
1 1 1 -12 0  22 f 45.26306 2.841680  -0.000000      0.000000 
1 1 1 -12 0  23 o 135.3457 2.649719  -0.000000      0.000000 
1 1 1 -12 0  24 o 50.87141 5.428943  -0.000000      0.000000 
1 1 1 -12 0  25 o 8.345855 5.529660  -0.000000      0.000000 
1 1 1 -12 0  26 o 53.40939 3.994427  -0.000000      0.000000 
1 1 1 -12 0  27 o 174.8468 3.188137  -0.000000      0.000000 
1 1 1 -12 0  28 f 26.72137 7.159846  -0.000000      0.000000 
1 1 1 -12 0  29 o 15.64216 8.206187  -0.000000      0.000000 
1 1 1 -12 0  30 o 21.12710 7.415997  -0.000000      0.000000 
1 1 1 -12 0  31 o 68.03974 3.187081  -0.000000      0.000000 
1 1 1 -12 0  32 o 14.81672 8.792975  -0.000000      0.000000 
1 1 1 -12 0  33 o 7.991465 5.458026  -0.000000      0.000000 
1 1 1 -12 0  34 o 8.437040 5.678458  -0.000000      0.000000 
1 1 1 -12 0  35 o 16.66099 7.887897  -0.000000      0.000000 
1 1 1 -12 0  36 o 12.07864 7.150334  -0.000000      0.000000 
1 1 1 -12 0  37 o 9.274183 6.110157  -0.000000      0.000000 
1 1 1 -12 1  1  o 197.2324 1.985809  0.6644897      3.971619 
1 1 1 -12 1  2  o 222.9322 2.212995  1.689468       4.425990 
1 1 1 -12 1  3  o 365.8481 3.494425  9.359558       6.988849 
1 1 1 -12 1  4  o 284.6760 2.758460  -3.488312      5.516920 
1 1 1 -12 1  5  f 349.6021 4.750598  -9.561798      9.501197 
1 1 1 -12 1  6  o 394.2323 7.607681  ?              ?        
1 1 1 -12 1  7  f 220.2496 2.209453  1.063431       4.418907 
1 1 1 -12 1  8  o 61.80584 1.928618  ?              ?        
1 1 1 -12 1  9  o 323.8504 4.411496  -1.833618      8.822991 
1 1 1 -12 1  10 o 243.9143 2.430051  -4.961288      4.860101 
1 1 1 -12 1  11 o 330.8198 3.202411  -5.325592      6.404823 
1 1 1 -12 1  12 f 221.8472 2.270675  -10.76675      4.541349 
1 1 1 -12 1  13 o 207.1191 2.161528  -7.016479      4.323055 
1 1 1 -12 1  14 o 177.9852 1.975845  -0.4522400     3.951689 
1 1 1 -12 1  15 f 277.7248 4.018169  16.83646       8.036339 
1 1 1 -12 1  16 o 66.14323 2.775172  -2.644753      5.550344 
1 1 1 -12 1  17 o 108.6855 1.602615  0.6883240E-01  3.205229 
1 1 1 -12 1  18 o 217.0329 3.172440  -1.361984      6.344879 
1 1 1 -12 1  19 o 67.61008 1.633639  -5.992355      3.267279 
1 1 1 -12 1  20 o 67.85056 1.650658  1.670639       3.301317 
1 1 1 -12 1  21 o 77.37869 1.639057  3.265877       3.278113 
1 1 1 -12 1  22 o 52.89436 1.868183  2.105053       3.736366 
1 1 1 -12 1  23 o 99.59497 1.725895  -2.708527      3.451790 
1 1 1 -12 1  24 o 120.9956 4.262187  ?              ?        
1 1 1 -12 1  25 o 13.80027 3.810688  -5.245990      7.621376 
1 1 1 -12 1  26 o 65.72254 2.534363  9.812164       5.068726 
1 1 1 -12 1  27 o 75.54774 2.133679  -7.364456      4.267359 
1 1 1 -12 1  28 o 54.83504 2.536000  3.131504       5.072000 
1 1 1 -12 1  29 o 51.92286 2.742868  -6.835686      5.485735 
1 1 1 -12 1  30 o 17.64730 4.461701  0.4096489      8.923403 
1 1 1 -12 1  31 o 33.87854 3.413050  -5.691982      6.826101 
1 1 1 -12 1  32 o 40.97959 5.171060  19.26047       10.34212 
1 1 1 -12 1  33 o 22.59713 4.329679  -4.135389      8.659358 
1 1 1 -12 1  34 o 15.48335 4.318370  -3.157296      8.636741 
1 1 1 -12 1  35 o 13.74689 4.102459  0.5568027      8.204919 
1 1 1 -12 1  36 o 20.35226 4.449986  4.582479       8.899973 
1 1 1 -12 1  37 o 12.25533 3.861841  -0.3468037     7.723681 
1 1 1 -12 2  1  o 43.78878 1.438970  -2.775944      2.877941 
1 1 1 -12 2  2  o 266.1009 2.625626  -2.690552      5.251253 
1 1 1 -12 2  3  f 113.7529 1.439480  7.013908       2.878960 
1 1 1 -12 2  4  f 251.8834 2.509568  3.508881       5.019136 
1 1 1 -12 2  5  o 95.49559 1.959139  -4.054298      3.918278 
1 1 1 -12 2  6  o 226.5019 3.277031  15.19754       6.554061 
1 1 1 -12 2  7  o 211.7873 2.182229  -10.33185      4.364457 
1 1 1 -12 2  8  o 98.97318 1.615401  12.48890       3.230802 
1 1 1 -12 2  9  o 176.1105 1.902257  -0.6536560     3.804515 
1 1 1 -12 2  10 o 132.5214 1.606659  -11.91105      3.213318 
1 1 1 -12 2  11 f 157.1029 1.778218  1.417847       3.556436 
1 1 1 -12 2  12 o 99.58627 1.524721  10.04684       3.049441 
1 1 1 -12 2  13 o 270.4053 2.707537  3.222748       5.415074 
1 1 1 -12 2  14 o 300.1951 2.988710  7.006378       5.977421 
1 1 1 -12 2  15 o 225.2068 3.402448  7.948090       6.804897 
1 1 1 -12 2  16 o 97.30788 1.641952  7.216698       3.283904 
1 1 1 -12 2  17 f 153.5574 1.854735  -2.645401      3.709469 
1 1 1 -12 2  18 f 23.17921 3.655094  9.195566       7.310188 
1 1 1 -12 2  19 o 116.7920 1.687672  -0.4666138     3.375345 
1 1 1 -12 2  20 o 67.07155 1.718942  0.5746689      3.437884 
1 1 1 -12 2  21 o 17.56153 3.703021  -2.839390      7.406043 
1 1 1 -12 2  22 o 121.0537 1.760382  -0.5571976     3.520764 
1 1 1 -12 2  23 o 86.77455 1.737820  -2.166939      3.475640 
1 1 1 -12 2  24 o 60.42632 4.887830  ?              ?        
1 1 1 -12 2  25 o 16.37293 3.920462  -6.251603      7.840924 
1 1 1 -12 2  26 o 51.91615 2.902163  11.83873       5.804326 
1 1 1 -12 2  27 o 13.89219 3.994292  -6.172747      7.988583 
1 1 1 -12 2  28 o 18.80133 4.718884  -1.150591      9.437768 
1 1 1 -12 2  29 o 30.03299 4.237703  0.5155773      8.475407 
1 1 1 -12 2  30 o 48.51904 2.601665  -3.064266      5.203330 
1 1 1 -12 2  31 o 28.30789 3.990549  -3.271254      7.981097 
1 1 1 -12 2  32 o 22.83053 8.375370  ?              ?        
1 1 1 -12 2  33 o 27.07881 4.772503  -3.084948      9.545006 
1 1 1 -12 2  34 o 15.96684 4.338968  3.725888       8.677936 
1 1 1 -12 2  35 o 16.60468 4.471767  2.220558       8.943534 
1 1 1 -12 2  36 o 40.86825 3.151879  -11.27385      6.303758 
1 1 1 -12 3  1  o 261.1754 2.637156  5.833832       5.274312 
1 1 1 -12 3  2  o 151.0992 1.783255  -0.5793762E-01 3.566510 
1 1 1 -12 3  3  o 451.2365 4.325721  -0.4057312     8.651443 
1 1 1 -12 3  4  o 196.0479 2.120083  12.56133       4.240167 
1 1 1 -12 3  5  o 156.6053 2.600909  2.348053       5.201818 
1 1 1 -12 3  6  o 222.9006 2.775326  6.624176       5.550651 
1 1 1 -12 3  7  o 403.9771 3.907913  -2.393097      7.815827 
1 1 1 -12 3  8  o 128.9726 2.356171  -2.982498      4.712343 
1 1 1 -12 3  9  o 212.1449 2.248619  8.715179       4.497237 
1 1 1 -12 3  10 f 149.3075 1.782004  5.757553       3.564007 
1 1 1 -12 3  11 o 112.4550 1.626075  -2.132210      3.252151 
1 1 1 -12 3  12 o 31.98364 2.644474  1.163677       5.288948 
1 1 1 -12 3  13 o 82.95444 1.695137  6.635155       3.390274 
1 1 1 -12 3  14 o 155.3725 2.483278  1.378540       4.966556 
1 1 1 -12 3  15 o 113.6302 2.514366  -9.697723      5.028731 
1 1 1 -12 3  16 o 144.2982 1.881533  -0.2721100     3.763067 
1 1 1 -12 3  17 o 215.4305 2.842950  -8.207657      5.685899 
1 1 1 -12 3  18 o 64.81253 1.781403  5.393166       3.562807 
1 1 1 -12 3  19 o 41.91273 2.246150  -4.360310      4.492300 
1 1 1 -12 3  20 o 50.42226 2.008573  1.197456       4.017146 
1 1 1 -12 3  21 f 61.26653 1.875480  -0.2191849     3.750960 
1 1 1 -12 3  22 o 77.41946 1.789129  -0.5985413     3.578259 
1 1 1 -12 3  23 o 45.83278 2.202852  6.906361       4.405704 
1 1 1 -12 3  24 o 190.0693 5.096382  ?              ?        
1 1 1 -12 3  25 o 48.69603 2.551847  -2.461132      5.103693 
1 1 1 -12 3  26 o 64.55838 2.478420  -0.7445908     4.956840 
1 1 1 -12 3  27 o 28.66405 3.993104  13.69449       7.986208 
1 1 1 -12 3  28 o 101.1430 2.153453  -6.519234      4.306906 
1 1 1 -12 3  29 o 76.41557 2.328488  -12.25105      4.656976 
1 1 1 -12 3  30 o 39.46062 3.147547  -4.630608      6.295094 
1 1 1 -12 3  31 o 53.69629 2.659430  -16.23345      5.318859 
1 1 1 -12 3  32 o 22.16616 4.415400  -7.279854      8.830799 
1 1 1 -12 3  33 o 26.06251 5.009929  -13.58317      10.01986 
1 1 1 -12 3  34 o 53.90945 2.667375  -8.386654      5.334750 
1 1 1 -12 3  35 f 20.01872 4.635260  1.084251       9.270519 
1 1 1 -12 3  36 o 15.77060 4.212593  -10.24098      8.425186 
1 1 1 -12 4  1  o 336.2448 3.338467  3.836792       6.676934 
1 1 1 -12 4  2  o 77.65918 1.599162  0.5291061      3.198324 
1 1 1 -12 4  3  o 222.2612 2.378224  4.946579       4.756448 
1 1 1 -12 4  4  o 92.55597 1.627129  0.3090973      3.254259 
1 1 1 -12 4  5  o 179.7713 4.263776  ?              ?        
1 1 1 -12 4  6  o 212.3605 2.320176  -3.885422      4.640353 
1 1 1 -12 4  7  o 126.7862 2.131674  0.2456436      4.263348 
1 1 1 -12 4  8  o 120.0943 2.207576  8.974510       4.415151 
1 1 1 -12 4  9  f 286.7768 2.911762  6.439697       5.823525 
1 1 1 -12 4  10 o 165.6028 1.984857  6.025528       3.969713 
1 1 1 -12 4  11 o 96.05592 1.757514  -4.754547      3.515028 
1 1 1 -12 4  12 o 240.9537 2.563068  2.185257       5.126136 
1 1 1 -12 4  13 f 41.76614 2.749894  -11.54718      5.499789 
1 1 1 -12 4  14 o 162.9608 2.619225  6.556046       5.238449 
1 1 1 -12 4  15 o 22.71030 4.990505  -2.885536      9.981010 
1 1 1 -12 4  16 o 124.1883 1.841218  4.374016       3.682435 
1 1 1 -12 4  17 o 73.87933 2.597106  8.970772       5.194212 
1 1 1 -12 4  18 o 54.75697 2.008024  10.55904       4.016049 
1 1 1 -12 4  19 o 52.99468 2.136807  -7.682793      4.273615 
1 1 1 -12 4  20 o 94.78371 1.786108  -3.523712      3.572216 
1 1 1 -12 4  21 o 39.97435 2.452628  -2.078426      4.905256 
1 1 1 -12 4  22 o 92.77301 1.829945  1.822975       3.659891 
1 1 1 -12 4  23 f 87.33261 1.898596  8.193443       3.797191 
1 1 1 -12 4  24 o 82.25752 2.655196  2.574966       5.310392 
1 1 1 -12 4  25 o 69.88570 2.643400  11.96876       5.286801 
1 1 1 -12 4  26 o 113.3679 2.076153  8.725296       4.152305 
1 1 1 -12 4  27 o 68.08246 2.430229  -0.4145050     4.860459 
1 1 1 -12 4  28 o 125.5681 3.620148  ?              ?        
1 1 1 -12 4  29 o 73.85831 2.449236  1.110069       4.898471 
1 1 1 -12 4  30 o 41.16055 3.236558  -11.17490      6.473117 
1 1 1 -12 4  31 o 32.34871 4.718246  -19.74278      9.436491 
1 1 1 -12 4  32 o 24.41823 4.341155  -1.866945      8.682310 
1 1 1 -12 4  33 o 90.33234 3.187788  -13.34201      6.375575 
1 1 1 -12 4  34 o 17.95474 4.278932  -14.61997      8.557863 
1 1 1 -12 4  35 o 16.48843 4.401623  -9.149431      8.803246 
1 1 1 -12 4  36 o 12.44957 3.985495  -3.257506      7.970989 
1 1 1 -12 5  1  o 146.1145 1.935753  -1.300476      3.871506 
1 1 1 -12 5  2  o 105.2626 1.787604  2.878830       3.575207 
1 1 1 -12 5  3  o 208.7342 2.346136  4.196152       4.692272 
1 1 1 -12 5  4  o 137.4983 2.643207  -4.455978      5.286414 
1 1 1 -12 5  5  o 203.2843 2.848053  3.390121       5.696105 
1 1 1 -12 5  6  o 361.6052 4.467579  -10.44681      8.935158 
1 1 1 -12 5  7  o 322.7313 4.069937  2.423157       8.139874 
1 1 1 -12 5  8  o 139.8439 1.924945  7.771164       3.849890 
1 1 1 -12 5  9  o 116.5657 1.842366  -1.023689      3.684731 
1 1 1 -12 5  10 o 55.67422 2.217487  2.578373       4.434974 
1 1 1 -12 5  11 o 312.2833 3.198525  6.243317       6.397049 
1 1 1 -12 5  12 o 300.2777 3.104449  4.429321       6.208899 
1 1 1 -12 5  13 o 200.5547 2.345137  5.964737       4.690275 
1 1 1 -12 5  14 o 181.8726 3.130378  -1.083954      6.260756 
1 1 1 -12 5  15 o 167.8431 3.044644  6.975922       6.089288 
1 1 1 -12 5  16 o 272.9402 2.905420  6.764496       5.810839 
1 1 1 -12 5  17 o 86.08004 1.926903  -0.9153748     3.853807 
1 1 1 -12 5  18 o 95.68401 1.874765  -2.454079      3.749530 
1 1 1 -12 5  19 o 136.5658 1.975304  6.031754       3.950609 
1 1 1 -12 5  20 o 69.12038 2.012830  -8.266075      4.025660 
1 1 1 -12 5  21 o 58.39711 2.157382  -0.6364059     4.314764 
1 1 1 -12 5  22 o 23.28331 4.149335  1.737997       8.298670 
1 1 1 -12 5  23 o 56.93766 3.440730  -5.968456      6.881460 
1 1 1 -12 5  24 o 25.10048 4.288166  0.3273296      8.576332 
1 1 1 -12 5  25 o 76.76791 3.055529  -7.889267      6.111058 
1 1 1 -12 5  26 o 27.09639 4.164277  -16.99477      8.328553 
1 1 1 -12 5  27 o 57.17696 2.741812  5.083439       5.483624 
1 1 1 -12 5  28 f 36.41628 3.846750  0.5430717      7.693501 
1 1 1 -12 5  29 o 68.83359 2.622197  -8.459641      5.244394 
1 1 1 -12 5  30 o 17.06650 4.139279  -11.17082      8.278559 
1 1 1 -12 5  31 o 35.07327 5.875809  -3.701340      11.75162 
1 1 1 -12 5  32 o 26.56173 4.054359  -10.79703      8.108718 
1 1 1 -12 5  33 o 17.18496 4.821229  -0.7560978     9.642459 
1 1 1 -12 5  34 o 21.73566 4.727086  -4.930878      9.454172 
1 1 1 -12 5  35 o 20.35218 4.632611  3.760887       9.265222 
1 1 1 -12 5  36 o 14.87653 4.448771  -2.959487      8.897541 
1 1 1 -12 6  1  o 193.4527 2.762905  2.460876       5.525811 
1 1 1 -12 6  2  f 40.32515 3.621819  -10.10785      7.243637 
1 1 1 -12 6  3  f 229.1407 3.151550  -5.208130      6.303099 
1 1 1 -12 6  4  o 181.3494 2.245065  7.098175       4.490130 
1 1 1 -12 6  5  o 140.4006 2.428284  5.266220       4.856568 
1 1 1 -12 6  6  o 182.8238 3.260703  2.893188       6.521406 
1 1 1 -12 6  7  o 173.6120 2.204918  -0.6932983     4.409836 
1 1 1 -12 6  8  o 29.53309 3.687311  -4.611551      7.374622 
1 1 1 -12 6  9  o 233.1665 2.607698  1.283783       5.215396 
1 1 1 -12 6  10 o 75.66601 2.186608  -2.310623      4.373215 
1 1 1 -12 6  11 o 177.6818 2.264770  -1.412231      4.529540 
1 1 1 -12 6  12 o 182.9529 2.292148  -5.285156      4.584296 
1 1 1 -12 6  13 o 179.5965 2.294541  0.4235840      4.589082 
1 1 1 -12 6  14 o 141.8021 2.657542  3.352585       5.315085 
1 1 1 -12 6  15 o 326.7276 4.001875  14.18591       8.003750 
1 1 1 -12 6  16 o 85.56980 4.856866  ?              ?        
1 1 1 -12 6  17 o 184.0791 2.294196  5.183609       4.588392 
1 1 1 -12 6  18 o 16.68712 4.282106  5.128836       8.564212 
1 1 1 -12 6  19 o 80.21492 2.033748  5.748878       4.067495 
1 1 1 -12 6  20 o 69.19920 2.125505  0.8779068      4.251010 
1 1 1 -12 6  21 o 24.85089 3.921396  -9.998165      7.842793 
1 1 1 -12 6  22 o 95.04541 2.018827  7.048271       4.037653 
1 1 1 -12 6  23 o 95.89759 2.752277  -4.999588      5.504554 
1 1 1 -12 6  24 o 115.4671 2.137570  7.459755       4.275140 
1 1 1 -12 6  25 o 68.15381 2.833492  2.403625       5.666983 
1 1 1 -12 6  26 f 63.21671 2.665258  2.997227       5.330516 
1 1 1 -12 6  27 o 103.1613 2.357790  -7.333893      4.715579 
1 1 1 -12 6  28 o 18.85933 4.976995  1.526754       9.953990 
1 1 1 -12 6  29 o 42.86876 3.371900  3.782356       6.743800 
1 1 1 -12 6  30 o 18.06503 4.858411  -6.824081      9.716823 
1 1 1 -12 6  31 o 33.15602 5.075514  3.919889       10.15103 
1 1 1 -12 6  32 f 12.83595 4.103908  -0.3244247     8.207816 
1 1 1 -12 6  33 o 21.94933 4.034197  -16.36878      8.068395 
1 1 1 -12 6  34 o 12.39603 3.969237  -1.166892      7.938474 
1 1 1 -12 6  35 o 14.83476 4.361018  2.649709       8.722036 
1 1 1 -12 6  36 o 11.05418 3.697700  1.464959       7.395400 
1 1 1 -12 7  1  o 307.3037 3.914572  3.030884       7.829144 
1 1 1 -12 7  2  o 89.24007 2.837538  7.167900       5.675077 
1 1 1 -12 7  3  o 171.9075 2.684056  -1.416412      5.368112 
1 1 1 -12 7  4  o 294.4133 4.372816  17.72772       8.745632 
1 1 1 -12 7  5  o 191.6295 5.306275  ?              ?        
1 1 1 -12 7  6  o 132.2570 3.171824  4.145218       6.343649 
1 1 1 -12 7  7  o 125.8267 2.122158  1.823196       4.244316 
1 1 1 -12 7  8  o 189.5344 2.399041  5.703674       4.798082 
1 1 1 -12 7  9  o 182.6631 2.358291  2.396606       4.716583 
1 1 1 -12 7  10 o 110.1007 2.152522  -7.911034      4.305045 
1 1 1 -12 7  11 o 246.7909 2.784667  -1.292313      5.569335 
1 1 1 -12 7  12 o 129.4220 2.197511  -4.944229      4.395021 
1 1 1 -12 7  13 o 342.4720 4.986543  8.753601       9.973086 
1 1 1 -12 7  14 o 206.9509 3.128759  2.001358       6.257518 
1 1 1 -12 7  15 o 229.3743 5.802690  ?              ?        
1 1 1 -12 7  16 o 154.4094 2.531745  2.944565       5.063491 
1 1 1 -12 7  17 o 103.2326 2.057060  -6.921707      4.114119 
1 1 1 -12 7  18 o 31.68475 3.586924  0.6771011      7.173849 
1 1 1 -12 7  19 o 60.88174 2.340543  4.833893       4.681087 
1 1 1 -12 7  20 o 43.35822 2.865960  1.481796       5.731920 
1 1 1 -12 7  21 o 100.6206 2.108441  0.8815002E-01  4.216883 
1 1 1 -12 7  22 o 103.3282 2.916630  8.013214       5.833260 
1 1 1 -12 7  23 o 88.06441 2.181128  1.815536       4.362257 
1 1 1 -12 7  24 o 45.11447 4.772256  -4.675671      9.544513 
1 1 1 -12 7  25 o 46.26588 3.389844  -14.73853      6.779688 
1 1 1 -12 7  26 o 43.58025 3.541750  2.783382       7.083500 
1 1 1 -12 7  27 o 87.32275 2.483681  1.054276       4.967361 
1 1 1 -12 7  28 o 33.51455 4.455846  -8.528996      8.911692 
1 1 1 -12 7  29 o 42.54699 3.876993  -10.30470      7.753986 
1 1 1 -12 7  30 f 16.86479 5.345224  6.988674       10.69045 
1 1 1 -12 7  31 o 36.18735 3.776984  -6.849888      7.553968 
1 1 1 -12 7  32 o 23.96822 5.118319  1.506657       10.23664 
1 1 1 -12 7  33 o 34.63610 3.560591  -7.417402      7.121181 
1 1 1 -12 7  34 o 25.99043 4.181064  -17.63660      8.362128 
1 1 1 -12 7  35 o 14.24058 4.459668  -4.023035      8.919336 
1 1 1 -12 8  1  o 141.6773 2.635512  0.8018646      5.271025 
1 1 1 -12 8  2  o 77.35056 3.021824  -2.413391      6.043648 
1 1 1 -12 8  3  o 159.0924 3.044635  ?              ?        
1 1 1 -12 8  4  o 153.6539 2.696749  -1.580185      5.393499 
1 1 1 -12 8  5  o 174.6786 2.881669  8.161743       5.763338 
1 1 1 -12 8  6  o 220.6508 5.126326  ?              ?        
1 1 1 -12 8  7  o 208.5883 2.587143  7.386887       5.174286 
1 1 1 -12 8  8  o 85.36475 2.364308  -2.902885      4.728617 
1 1 1 -12 8  9  o 123.7966 2.242714  1.434563       4.485428 
1 1 1 -12 8  10 o 16.75026 4.799082  -1.348248      9.598164 
1 1 1 -12 8  11 o 110.7593 2.684061  -6.382225      5.368121 
1 1 1 -12 8  12 o 173.9422 2.832336  0.6309509      5.664671 
1 1 1 -12 8  13 o 155.6286 2.319325  8.585663       4.638650 
1 1 1 -12 8  14 o 146.8490 4.162202  ?              ?        
1 1 1 -12 8  15 o 111.5920 2.216942  3.542168       4.433883 
1 1 1 -12 8  16 f 87.73914 2.445442  1.731613       4.890884 
1 1 1 -12 8  17 o 74.31553 2.300842  -3.460510      4.601684 
1 1 1 -12 8  18 o 70.74615 2.316058  -2.163498      4.632116 
1 1 1 -12 8  19 o 30.30028 4.115294  -9.209728      8.230587 
1 1 1 -12 8  20 o 142.8913 2.285656  9.948608       4.571311 
1 1 1 -12 8  21 f 58.73284 3.272417  ?              ?        
1 1 1 -12 8  22 o 36.65520 3.398230  3.236744       6.796460 
1 1 1 -12 8  23 o 30.33287 5.467761  13.73287       10.93552 
1 1 1 -12 8  24 o 90.07479 2.448081  -11.15814      4.896163 
1 1 1 -12 8  25 f 63.65900 2.991339  -1.639542      5.982678 
1 1 1 -12 8  26 o 121.6328 2.409162  -6.561226      4.818323 
1 1 1 -12 8  27 o 62.70638 2.957229  5.325333       5.914459 
1 1 1 -12 8  28 o 28.32416 4.927727  2.070261       9.855453 
1 1 1 -12 8  29 o 43.27952 3.970200  5.942661       7.940400 
1 1 1 -12 8  30 o 39.73105 4.589874  7.146046       9.179748 
1 1 1 -12 8  31 o 17.13809 5.091605  6.618629       10.18321 
1 1 1 -12 8  32 o 16.66105 4.389930  -6.699650      8.779860 
1 1 1 -12 8  33 o 20.12429 4.591822  -6.687626      9.183644 
1 1 1 -12 8  34 o 15.75675 4.444093  3.988152       8.888186 
1 1 1 -12 8  35 o 25.05335 4.431882  -23.06572      8.863765 
1 1 1 -12 9  1  o 104.8130 2.725703  -3.431168      5.451405 
1 1 1 -12 9  2  o 91.50465 3.081292  ?              ?        
1 1 1 -12 9  3  f 178.8838 2.939876  1.249008       5.879751 
1 1 1 -12 9  4  o 109.4058 2.690575  -1.155754      5.381150 
1 1 1 -12 9  5  o 217.9272 3.215309  -7.865356      6.430619 
1 1 1 -12 9  6  f 218.7898 3.290885  -2.314346      6.581770 
1 1 1 -12 9  7  o 136.4149 2.734286  0.6787262      5.468573 
1 1 1 -12 9  8  o 58.13122 3.494380  14.26766       6.988760 
1 1 1 -12 9  9  f 99.63979 2.394317  7.863266       4.788634 
1 1 1 -12 9  10 o 213.8143 3.262281  0.7881470      6.524561 
1 1 1 -12 9  11 o 80.43434 2.910179  -0.1493683     5.820358 
1 1 1 -12 9  12 o 104.2837 2.354762  -4.494202      4.709524 
1 1 1 -12 9  13 o 27.32507 6.261321  6.991785       12.52264 
1 1 1 -12 9  14 o 54.16937 3.398300  12.17046       6.796599 
1 1 1 -12 9  15 o 114.6254 2.293549  -4.928940      4.587099 
1 1 1 -12 9  16 o 28.90333 4.721337  -9.260431      9.442675 
1 1 1 -12 9  17 o 11.79973 3.813000  1.676121       7.625999 
1 1 1 -12 9  18 o 91.46148 2.296365  -4.569656      4.592731 
1 1 1 -12 9  19 o 50.54524 2.764280  10.11204       5.528560 
1 1 1 -12 9  20 o 146.0557 2.693693  -6.170670      5.387387 
1 1 1 -12 9  21 o 70.87989 3.231918  -11.16699      6.463836 
1 1 1 -12 9  22 o 146.4628 3.140581  6.812149       6.281162 
1 1 1 -12 9  23 o 45.21423 4.022452  6.551392       8.044904 
1 1 1 -12 9  24 o 22.28322 5.071255  5.412991       10.14251 
1 1 1 -12 9  25 o 101.0205 2.828203  -12.64635      5.656406 
1 1 1 -12 9  26 o 70.83884 2.994451  -8.339241      5.988903 
1 1 1 -12 9  27 o 44.37971 3.595618  3.025604       7.191236 
1 1 1 -12 9  28 o 43.35029 3.686161  4.292629       7.372323 
1 1 1 -12 9  29 o 26.29212 5.352649  1.846659       10.70530 
1 1 1 -12 9  30 o 18.40016 5.044994  -0.6562195     10.08999 
1 1 1 -12 9  31 o 35.10823 4.452937  0.3491211E-01  8.905874 
1 1 1 -12 9  32 o 23.09064 4.374240  -13.35781      8.748481 
1 1 1 -12 9  33 o 14.40911 4.312832  1.109780       8.625665 
1 1 1 -12 9  34 o 28.66208 4.611242  5.908611       9.222484 
1 1 1 -12 9  35 o 13.35149 4.504258  -4.680917      9.008516 
1 1 1 -12 10 1  o 81.36777 2.882221  6.201988       5.764443 
1 1 1 -12 10 2  o 287.1617 3.847085  -1.470184      7.694171 
1 1 1 -12 10 3  o 150.0974 2.831947  -0.1719360     5.663893 
1 1 1 -12 10 4  o 46.59735 4.012181  4.103382       8.024363 
1 1 1 -12 10 5  o 148.7733 2.881968  -0.6908569     5.763935 
1 1 1 -12 10 6  o 20.18743 5.652937  0.8693218      11.30587 
1 1 1 -12 10 7  o 74.84200 3.152561  -0.1401520E-01 6.305122 
1 1 1 -12 10 8  o 241.3559 3.573698  16.63228       7.147396 
1 1 1 -12 10 9  o 149.0527 3.298839  7.300308       6.597679 
1 1 1 -12 10 10 o 254.6270 3.588717  -6.770462      7.177433 
1 1 1 -12 10 11 o 113.5742 2.785090  2.100258       5.570180 
1 1 1 -12 10 12 o 84.04272 3.655609  -2.666046      7.311219 
1 1 1 -12 10 13 o 55.76746 2.909690  8.917999       5.819381 
1 1 1 -12 10 14 o 122.4450 2.819452  -2.229996      5.638905 
1 1 1 -12 10 15 o 135.8633 2.379544  -5.162506      4.759087 
1 1 1 -12 10 16 o 68.78626 2.848668  6.429840       5.697336 
1 1 1 -12 10 17 o 68.33109 2.581149  -5.696220      5.162297 
1 1 1 -12 10 18 o 101.1322 2.342398  -2.238701      4.684797 
1 1 1 -12 10 19 o 136.7818 2.714584  0.9680481      5.429167 
1 1 1 -12 10 20 o 142.8416 3.033253  5.345062       6.066505 
1 1 1 -12 10 21 o 103.2520 2.515149  2.313011       5.030299 
1 1 1 -12 10 22 o 97.75884 3.001693  2.474854       6.003385 
1 1 1 -12 10 23 o 128.8686 3.020245  -1.287033      6.040489 
1 1 1 -12 10 24 o 60.40105 2.985306  14.12399       5.970613 
1 1 1 -12 10 25 o 51.96683 5.443036  -3.444839      10.88607 
1 1 1 -12 10 26 o 20.23594 5.144396  -2.673178      10.28879 
1 1 1 -12 10 27 o 59.05606 3.199878  -4.752403      6.399756 
1 1 1 -12 10 28 o 28.99473 5.064057  -12.51485      10.12811 
1 1 1 -12 10 29 o 33.28151 4.497560  -9.505915      8.995120 
1 1 1 -12 10 30 o 29.24608 5.133274  -15.28984      10.26655 
1 1 1 -12 10 31 o 26.81225 4.102889  -9.848034      8.205778 
1 1 1 -12 10 32 o 13.82623 4.152787  -9.803989      8.305574 
1 1 1 -12 10 33 o 26.31017 4.605505  -7.061615      9.211011 
1 1 1 -12 10 34 o 35.14094 4.074468  -23.73039      8.148936 
1 1 1 -12 11 1  o 203.2441 3.231160  10.71962       6.462320 
1 1 1 -12 11 2  f 101.4207 2.856422  -9.317268      5.712844 
1 1 1 -12 11 3  o 128.3071 2.816352  1.104645       5.632704 
1 1 1 -12 11 4  o 65.50769 3.345872  12.74411       6.691744 
1 1 1 -12 11 5  o 107.3583 2.910323  -7.394440      5.820645 
1 1 1 -12 11 6  o 103.5958 2.917336  -0.6985550     5.834671 
1 1 1 -12 11 7  f 144.2418 2.990690  6.171799       5.981379 
1 1 1 -12 11 8  o 47.85609 4.518026  -2.059784      9.036053 
1 1 1 -12 11 9  o 125.8348 2.825584  -0.1062469     5.651168 
1 1 1 -12 11 10 o 143.5234 4.368580  ?              ?        
1 1 1 -12 11 11 o 162.4403 2.986795  2.741760       5.973589 
1 1 1 -12 11 12 o 71.94100 3.035973  -2.536133      6.071946 
1 1 1 -12 11 13 o 210.3293 3.311838  -1.392975      6.623676 
1 1 1 -12 11 14 o 62.98907 3.156736  9.460869       6.313472 
1 1 1 -12 11 15 o 123.6387 2.405588  2.130547       4.811177 
1 1 1 -12 11 16 o 60.98556 3.286483  -12.61425      6.572967 
1 1 1 -12 11 17 o 21.24377 5.032354  2.566542       10.06471 
1 1 1 -12 11 18 o 23.95414 5.234695  13.40213       10.46939 
1 1 1 -12 11 19 o 138.8625 2.496000  1.237595       4.991999 
1 1 1 -12 11 20 o 80.67815 3.944417  -10.33811      7.888834 
1 1 1 -12 11 21 o 148.4380 3.062571  1.907150       6.125142 
1 1 1 -12 11 22 o 110.2274 2.556955  -8.976814      5.113910 
1 1 1 -12 11 23 o 65.74420 4.727152  -11.24379      9.454305 
1 1 1 -12 11 24 o 48.57157 3.880289  -1.657913      7.760577 
1 1 1 -12 11 25 o 36.02456 6.419986  1.162380       12.83997 
1 1 1 -12 11 26 o 95.54246 2.637981  -4.632507      5.275962 
1 1 1 -12 11 27 f 22.79275 5.555922  6.044807       11.11184 
1 1 1 -12 11 28 o 47.76554 3.407757  -11.30478      6.815514 
1 1 1 -12 11 29 o 42.64659 3.366177  -7.744289      6.732355 
1 1 1 -12 11 30 o 34.28474 4.047438  -12.19175      8.094875 
1 1 1 -12 11 31 o 25.55460 4.441188  -6.105051      8.882376 
1 1 1 -12 11 32 o 19.58615 4.361628  -13.52968      8.723256 
1 1 1 -12 11 33 o 34.62967 3.635878  -37.39302      7.271756 
1 1 1 -12 11 34 o 39.42317 4.822804  -40.01159      9.645609 
1 1 1 -12 12 1  o 141.3210 3.230510  1.133240       6.461020 
1 1 1 -12 12 2  o 88.55579 4.661550  ?              ?        
1 1 1 -12 12 3  o 113.4604 2.843617  -5.843559      5.687234 
1 1 1 -12 12 4  o 165.3241 3.031402  -4.256042      6.062805 
1 1 1 -12 12 5  o 80.52615 3.094234  8.213562       6.188468 
1 1 1 -12 12 6  o 66.36810 4.036537  -7.484028      8.073074 
1 1 1 -12 12 7  o 56.98771 3.684124  -8.005600      7.368248 
1 1 1 -12 12 8  o 55.13058 4.136283  -5.219501      8.272567 
1 1 1 -12 12 9  o 81.77163 3.336432  ?              ?        
1 1 1 -12 12 10 o 85.75154 3.021678  -5.402016      6.043355 
1 1 1 -12 12 11 o 59.45620 3.437247  -0.5206108     6.874495 
1 1 1 -12 12 12 o 63.84040 3.281487  -1.596092      6.562973 
1 1 1 -12 12 13 o 92.39355 2.959149  3.510452       5.918299 
1 1 1 -12 12 14 o 82.37592 3.112792  -2.219925      6.225583 
1 1 1 -12 12 15 o 116.5904 2.954399  -5.052544      5.908798 
1 1 1 -12 12 16 o 97.29692 3.389371  10.50594       6.778742 
1 1 1 -12 12 17 o 82.93288 3.573170  -7.379005      7.146339 
1 1 1 -12 12 18 f 13.03831 4.255839  3.970849       8.511678 
1 1 1 -12 12 19 o 83.89101 3.742114  5.225067       7.484228 
1 1 1 -12 12 20 f 82.07269 3.325564  2.927994       6.651128 
1 1 1 -12 12 21 o 34.04079 5.051785  -2.619984      10.10357 
1 1 1 -12 12 22 o 23.68194 5.709211  4.581135       11.41842 
1 1 1 -12 12 23 o 71.15131 4.131547  -1.887939      8.263095 
1 1 1 -12 12 24 o 30.22562 5.459653  10.37862       10.91931 
1 1 1 -12 12 25 o 25.40325 5.215232  -16.94685      10.43046 
1 1 1 -12 12 26 o 38.58764 4.992834  -12.35423      9.985667 
1 1 1 -12 12 27 o 54.63110 7.079617  ?              ?        
1 1 1 -12 12 28 o 39.85947 5.488263  -14.52193      10.97653 
1 1 1 -12 12 29 o 23.58675 4.859705  2.164206       9.719410 
1 1 1 -12 12 30 o 23.67325 6.840728  ?              ?        
1 1 1 -12 12 31 o 34.17505 3.945696  -27.92912      7.891392 
1 1 1 -12 12 32 o 24.14768 4.832452  2.930809       9.664905 
1 1 1 -12 12 33 o 14.87074 4.677260  -1.944983      9.354520 
1 1 1 -12 13 1  o 81.18869 3.310433  2.725876       6.620866 
1 1 1 -12 13 2  o 87.45681 3.232209  -5.997284      6.464417 
1 1 1 -12 13 3  o 60.59227 4.364823  -6.994156      8.729647 
1 1 1 -12 13 4  o 87.49129 3.929170  9.004196       7.858339 
1 1 1 -12 13 5  o 70.48547 3.562646  3.893768       7.125292 
1 1 1 -12 13 6  o 109.6604 3.008697  11.49037       6.017394 
1 1 1 -12 13 7  o 138.5732 3.430349  ?              ?        
1 1 1 -12 13 8  o 72.23463 3.270850  3.306358       6.541699 
1 1 1 -12 13 9  o 37.92972 4.570782  4.340862       9.141563 
1 1 1 -12 13 10 f 195.8163 3.322507  6.504333       6.645013 
1 1 1 -12 13 11 o 59.16251 3.374519  8.932930       6.749037 
1 1 1 -12 13 12 o 43.84470 3.940926  6.080101       7.881851 
1 1 1 -12 13 13 o 50.17455 3.761359  5.002712       7.522719 
1 1 1 -12 13 14 o 31.36001 5.130253  -5.978785      10.26051 
1 1 1 -12 13 15 o 118.0092 3.070159  11.50384       6.140317 
1 1 1 -12 13 16 o 78.99384 3.685560  0.7609558      7.371119 
1 1 1 -12 13 17 o 95.07283 3.262137  2.639969       6.524274 
1 1 1 -12 13 18 o 45.17976 6.542126  ?              ?        
1 1 1 -12 13 19 o 61.08059 3.890766  11.49463       7.781532 
1 1 1 -12 13 20 o 81.43681 3.572534  6.578621       7.145068 
1 1 1 -12 13 21 o 21.70870 5.706450  8.319775       11.41290 
1 1 1 -12 13 22 o 22.76121 5.776854  2.417624       11.55371 
1 1 1 -12 13 23 o 67.44699 3.424280  -1.892509      6.848560 
1 1 1 -12 13 24 o 20.50584 5.567901  7.960735       11.13580 
1 1 1 -12 13 25 o 23.60679 6.353931  3.160370       12.70786 
1 1 1 -12 13 26 o 19.20512 5.185777  -2.015392      10.37155 
1 1 1 -12 13 27 o 17.50292 8.193387  ?              ?        
1 1 1 -12 13 28 o 27.44654 5.369833  -11.83609      10.73967 
1 1 1 -12 13 29 o 14.61014 4.297629  -3.548433      8.595258 
1 1 1 -12 13 30 o 13.17554 4.169834  -0.7691860E-01 8.339667 
1 1 1 -12 13 31 o 19.77842 4.681954  -2.208998      9.363908 
1 1 1 -12 13 32 o 31.15226 5.006101  -5.798609      10.01220 
1 1 1 -12 13 33 o 29.32941 4.731348  -33.95810      9.462695 
1 1 1 -12 14 1  o 25.02850 8.371337  ?              ?        
1 1 1 -12 14 2  o 145.6364 3.323962  4.003479       6.647923 
1 1 1 -12 14 3  f 32.64781 5.256452  13.13845       10.51290 
1 1 1 -12 14 4  o 47.80197 4.566337  ?              ?        
1 1 1 -12 14 5  f 93.85274 3.057689  4.175682       6.115379 
1 1 1 -12 14 6  o 79.67625 3.179018  0.5190659      6.358037 
1 1 1 -12 14 7  o 37.76201 9.173987  ?              ?        
1 1 1 -12 14 8  o 17.23698 5.007314  2.458305       10.01463 
1 1 1 -12 14 9  o 53.44670 3.758613  2.583244       7.517226 
1 1 1 -12 14 10 o 63.27644 3.480659  8.210556       6.961318 
1 1 1 -12 14 11 o 78.02374 3.084117  -2.650078      6.168235 
1 1 1 -12 14 12 o 122.6954 3.045410  -1.503998      6.090820 
1 1 1 -12 14 13 o 19.05707 5.163356  13.95419       10.32671 
1 1 1 -12 14 14 o 148.3722 3.675030  -4.567215      7.350059 
1 1 1 -12 14 15 o 93.51610 3.223233  -5.244240      6.446466 
1 1 1 -12 14 16 o 133.9359 3.837985  6.077438       7.675969 
1 1 1 -12 14 17 o 86.91712 5.951412  ?              ?        
1 1 1 -12 14 18 o 166.8343 3.392189  -2.353867      6.784377 
1 1 1 -12 14 19 o 33.60584 5.845872  -8.277725      11.69174 
1 1 1 -12 14 20 o 26.55836 6.496763  3.526772       12.99353 
1 1 1 -12 14 21 o 84.79299 3.566098  1.570129       7.132196 
1 1 1 -12 14 22 o 115.6806 3.402235  -0.1873093     6.804470 
1 1 1 -12 14 23 o 34.75614 6.249883  18.81499       12.49977 
1 1 1 -12 14 24 o 47.64019 5.325860  0.1989288      10.65172 
1 1 1 -12 14 25 o 25.22966 6.812714  ?              ?        
1 1 1 -12 14 26 o 22.05167 5.385197  -0.6338959     10.77039 
1 1 1 -12 14 27 o 17.30259 4.735857  -1.456059      9.471713 
1 1 1 -12 14 28 o 13.77843 4.246188  6.350595       8.492376 
1 1 1 -12 14 29 o 27.71575 4.249051  -15.49784      8.498101 
1 1 1 -12 14 30 o 14.90860 4.362070  4.090338       8.724140 
1 1 1 -12 14 31 o 31.97930 4.507130  -17.70443      9.014260 
1 1 1 -12 14 32 o 25.28616 5.455038  -13.78517      10.91008 
1 1 1 -12 15 1  o 199.3184 5.325893  ?              ?        
1 1 1 -12 15 2  o 121.7836 4.559434  ?              ?        
1 1 1 -12 15 3  o 92.47986 3.330477  3.483604       6.660953 
1 1 1 -12 15 4  o 155.6304 3.489051  13.02458       6.978103 
1 1 1 -12 15 5  o 144.9143 3.087282  3.479492       6.174565 
1 1 1 -12 15 6  f 65.10245 3.394097  0.4020615      6.788194 
1 1 1 -12 15 7  f 75.81722 5.697510  ?              ?        
1 1 1 -12 15 8  o 96.34737 3.143517  0.1473465      6.287033 
1 1 1 -12 15 9  o 51.63129 3.865811  1.555061       7.731623 
1 1 1 -12 15 10 o 63.90852 3.604999  8.279373       7.209998 
1 1 1 -12 15 11 o 70.40486 3.517631  1.290649       7.035262 
1 1 1 -12 15 12 o 31.78620 6.515554  4.179440       13.03111 
1 1 1 -12 15 13 o 89.18872 3.245524  -6.772972      6.491048 
1 1 1 -12 15 14 f 56.76543 4.194181  -8.695374      8.388363 
1 1 1 -12 15 15 x ?        ?         ?              ?        
1 1 1 -12 15 16 o 82.68626 4.080407  2.982506       8.160814 
1 1 1 -12 15 17 o 87.52928 4.217724  0.7069473      8.435448 
1 1 1 -12 15 18 f 102.6568 3.848518  7.384895       7.697036 
1 1 1 -12 15 19 o 66.90154 4.352404  7.777615       8.704807 
1 1 1 -12 15 20 o 98.64662 3.798901  -5.433762      7.597802 
1 1 1 -12 15 21 o 75.90897 4.064786  3.369705       8.129573 
1 1 1 -12 15 22 o 22.35936 6.021788  -2.830109      12.04358 
1 1 1 -12 15 23 o 80.98687 3.746619  -8.511108      7.493238 
1 1 1 -12 15 24 f 70.28480 4.436867  -15.50482      8.873734 
1 1 1 -12 15 25 o 70.54410 5.327587  ?              ?        
1 1 1 -12 15 26 o 39.58488 4.564311  -7.219578      9.128622 
1 1 1 -12 15 27 o 20.54763 4.981681  -2.786772      9.963363 
1 1 1 -12 15 28 o 19.59951 5.285417  4.782993       10.57083 
1 1 1 -12 15 29 o 28.02667 4.242070  -20.48285      8.484139 
1 1 1 -12 15 30 o 23.25564 5.407303  -5.450079      10.81461 
1 1 1 -12 15 31 o 16.40304 5.070753  -3.268640      10.14151 
1 1 1 -12 16 1  o 79.35505 3.544103  2.242523       7.088206 
1 1 1 -12 16 2  o 22.74964 5.580001  10.24760       11.16000 
1 1 1 -12 16 3  f 53.53230 4.114581  -5.887486      8.229162 
1 1 1 -12 16 4  o 24.00278 5.769989  -6.825346      11.53998 
1 1 1 -12 16 5  f 110.4244 3.468768  -12.87830      6.937535 
1 1 1 -12 16 6  o 96.79022 3.236148  2.698959       6.472297 
1 1 1 -12 16 7  o 30.48735 5.365575  -5.796747      10.73115 
1 1 1 -12 16 8  o 28.38475 9.138026  ?              ?        
1 1 1 -12 16 9  o 66.91482 3.556635  1.748642       7.113269 
1 1 1 -12 16 10 o 71.44566 4.274102  4.762207       8.548203 
1 1 1 -12 16 11 o 119.7954 3.209975  -2.247032      6.419950 
1 1 1 -12 16 12 o 57.48357 4.107664  2.093189       8.215327 
1 1 1 -12 16 13 x ?        ?         ?              ?        
1 1 1 -12 16 14 o 19.35352 5.942092  -0.1099586     11.88418 
1 1 1 -12 16 15 o 102.9735 4.040535  5.231720       8.081071 
1 1 1 -12 16 16 o 103.0763 3.969208  17.52240       7.938416 
1 1 1 -12 16 17 o 77.86244 4.315842  4.044899       8.631683 
1 1 1 -12 16 18 o 154.9837 4.059518  -4.426910      8.119037 
1 1 1 -12 16 19 o 62.76669 4.634298  -11.63852      9.268596 
1 1 1 -12 16 20 o 76.09938 4.259379  -5.214714      8.518759 
1 1 1 -12 16 21 o 121.1147 3.905650  -7.864128      7.811299 
1 1 1 -12 16 22 o 70.24452 3.799789  4.512489       7.599579 
1 1 1 -12 16 23 o 23.77838 7.252878  ?              ?        
1 1 1 -12 16 24 o 67.50037 4.673178  -0.2248535     9.346356 
1 1 1 -12 16 25 o 14.29554 6.220934  ?              ?        
1 1 1 -12 16 26 o 17.48957 4.999617  0.7761955      9.999233 
1 1 1 -12 16 27 o 22.15009 4.588367  -11.59158      9.176734 
1 1 1 -12 16 28 o 16.64784 4.587066  6.226891       9.174132 
1 1 1 -12 16 29 o 17.28439 4.998663  1.647728       9.997326 
1 1 1 -12 16 30 o 35.73516 5.021208  -16.22049      10.04242 
1 1 1 -12 16 31 o 17.25600 7.425182  ?              ?        
1 1 1 -12 17 1  o 150.1425 3.597791  -11.06519      7.195582 
1 1 1 -12 17 2  o 83.39224 3.519910  -2.178490      7.039821 
1 1 1 -12 17 3  o 90.96432 3.557565  -14.72182      7.115130 
1 1 1 -12 17 4  o 66.69641 4.004733  -5.800018      8.009465 
1 1 1 -12 17 5  o 35.38613 5.927080  11.25409       11.85416 
1 1 1 -12 17 6  o 43.72314 4.774209  -3.991653      9.548419 
1 1 1 -12 17 7  o 58.78520 3.951206  -2.918938      7.902413 
1 1 1 -12 17 8  o 27.95450 6.585531  1.719275       13.17106 
1 1 1 -12 17 9  o 72.05704 3.569644  9.603539       7.139289 
1 1 1 -12 17 10 o 91.70127 3.822917  -7.266800      7.645833 
1 1 1 -12 17 11 o 44.59597 5.607852  ?              ?        
1 1 1 -12 17 12 o 133.3932 3.427123  -0.6083069     6.854245 
1 1 1 -12 17 13 o 87.36782 4.448381  -4.892853      8.896762 
1 1 1 -12 17 14 o 113.6022 4.062967  -19.45077      8.125935 
1 1 1 -12 17 15 o 45.37101 6.455064  -27.00735      12.91013 
1 1 1 -12 17 16 o 79.38440 4.659699  -6.219261      9.319398 
1 1 1 -12 17 17 f 77.48921 4.987103  -30.17160      9.974206 
1 1 1 -12 17 18 o 90.83534 4.319146  -5.021950      8.638292 
1 1 1 -12 17 19 o 66.13051 5.027724  4.509781       10.05545 
1 1 1 -12 17 20 o 91.89538 3.913117  -5.806564      7.826234 
1 1 1 -12 17 21 o 25.28670 5.366875  -13.74775      10.73375 
1 1 1 -12 17 22 o 46.66686 6.078320  -17.15131      12.15664 
1 1 1 -12 17 23 o 20.53056 5.635685  16.61797       11.27137 
1 1 1 -12 17 24 o 43.52785 4.983510  -14.42891      9.967019 
1 1 1 -12 17 25 o 50.00282 4.031538  ?              ?        
1 1 1 -12 17 26 o 21.19154 4.936596  -6.168125      9.873192 
1 1 1 -12 17 27 o 13.19077 4.054476  3.774077       8.108952 
1 1 1 -12 17 28 o 14.03872 4.321008  5.870154       8.642015 
1 1 1 -12 17 29 o 15.68593 4.934566  -4.855668      9.869131 
1 1 1 -12 17 30 o 46.28613 6.838935  ?              ?        
1 1 1 -12 18 1  o 99.18881 3.696232  12.26943       7.392464 
1 1 1 -12 18 2  o 141.0984 3.647266  11.23264       7.294533 
1 1 1 -12 18 3  o 97.01720 3.718533  -6.020668      7.437065 
1 1 1 -12 18 4  f 42.44575 7.579575  ?              ?        
1 1 1 -12 18 5  o 87.91407 5.729872  ?              ?        
1 1 1 -12 18 6  o 89.67332 3.889518  -5.351433      7.779035 
1 1 1 -12 18 7  o 47.59025 5.680819  -0.3487396E-01 11.36164 
1 1 1 -12 18 8  o 81.44514 4.299559  ?              ?        
1 1 1 -12 18 9  o 32.98775 5.610909  -17.87089      11.22182 
1 1 1 -12 18 10 o 57.18295 4.465912  -10.57511      8.931824 
1 1 1 -12 18 11 o 114.2247 3.555008  -9.810013      7.110016 
1 1 1 -12 18 12 o 62.71576 4.336706  9.024597       8.673412 
1 1 1 -12 18 13 o 91.58195 4.485275  5.140305       8.970550 
1 1 1 -12 18 14 o 33.61643 7.618592  -0.7062607     15.23718 
1 1 1 -12 18 15 o 61.11169 5.294820  6.324982       10.58964 
1 1 1 -12 18 16 o 66.97387 5.136194  -16.25747      10.27239 
1 1 1 -12 18 17 o 132.3657 4.114477  -2.923203      8.228953 
1 1 1 -12 18 18 o 76.74501 4.944442  -23.46821      9.888884 
1 1 1 -12 18 19 o 33.55011 6.360576  -3.318161      12.72115 
1 1 1 -12 18 20 o 26.86399 7.200358  ?              ?        
1 1 1 -12 18 21 o 23.01871 6.350470  -5.949705      12.70094 
1 1 1 -12 18 22 o 80.65483 4.070585  2.884819       8.141171 
1 1 1 -12 18 23 o 35.78381 5.118170  3.895782       10.23634 
1 1 1 -12 18 24 o 39.83115 4.303312  -9.425171      8.606624 
1 1 1 -12 18 25 f 14.14650 4.283863  -1.956509      8.567725 
1 1 1 -12 18 26 o 20.70292 4.003314  -17.18123      8.006627 
1 1 1 -12 18 27 o 36.14517 4.859401  -23.79227      9.718802 
1 1 1 -12 18 28 o 41.41681 7.662220  ?              ?        
1 1 1 -12 18 29 o 41.28842 7.887639  ?              ?        
1 1 1 -12 19 1  o 36.00287 8.990550  ?              ?        
1 1 1 -12 19 2  o 29.85814 6.748147  -1.142939      13.49629 
1 1 1 -12 19 3  o 47.04611 5.418025  12.13636       10.83605 
1 1 1 -12 19 4  f 30.65012 6.771510  0.6499290      13.54302 
1 1 1 -12 19 5  o 40.24197 8.694951  ?              ?        
1 1 1 -12 19 6  o 75.86220 4.258281  5.539787       8.516562 
1 1 1 -12 19 7  o 115.5731 3.975423  -8.463959      7.950846 
1 1 1 -12 19 8  o 93.24440 3.680738  1.353500       7.361477 
1 1 1 -12 19 9  f 58.60367 4.572418  -6.452400      9.144836 
1 1 1 -12 19 10 o 58.56168 4.744308  -8.925949      9.488616 
1 1 1 -12 19 11 o 107.5418 3.647270  -0.4573059E-01 7.294540 
1 1 1 -12 19 12 o 27.08089 6.294878  -2.687344      12.58976 
1 1 1 -12 19 13 o 56.24161 6.076461  -13.84437      12.15292 
1 1 1 -12 19 14 o 91.38741 4.621412  -3.694565      9.242825 
1 1 1 -12 19 15 o 59.08953 5.372206  0.1945229      10.74441 
1 1 1 -12 19 16 o 54.70036 5.749504  15.06401       11.49901 
1 1 1 -12 19 17 o 31.99190 7.025986  -7.309277      14.05197 
1 1 1 -12 19 18 o 35.68330 10.45155  ?              ?        
1 1 1 -12 19 19 o 27.54021 9.582147  ?              ?        
1 1 1 -12 19 20 o 55.85103 4.157565  1.198792       8.315130 
1 1 1 -12 19 21 o 20.27972 5.462045  1.941223       10.92409 
1 1 1 -12 19 22 o 31.73434 4.848830  -22.15219      9.697659 
1 1 1 -12 19 23 o 25.55896 4.942593  -9.274611      9.885186 
1 1 1 -12 19 24 o 27.04376 4.568895  -8.908144      9.137790 
1 1 1 -12 19 25 o 31.14761 5.181890  -11.97212      10.36378 
1 1 1 -12 19 26 o 19.80195 4.985255  8.209603       9.970510 
1 1 1 -12 19 27 o 32.38315 8.762750  ?              ?        
1 1 1 -12 19 28 x ?        ?         ?              ?        
1 1 1 -12 20 1  o 92.98194 5.779005  ?              ?        
1 1 1 -12 20 2  o 42.16958 8.754146  ?              ?        
1 1 1 -12 20 3  o 21.97865 6.350741  -1.773342      12.70148 
1 1 1 -12 20 4  o 96.58780 4.005622  -7.500664      8.011245 
1 1 1 -12 20 5  f 21.34667 6.179336  1.844076       12.35867 
1 1 1 -12 20 6  o 70.93488 4.618037  16.89618       9.236073 
1 1 1 -12 20 7  o 42.13482 6.543317  -0.3309097     13.08663 
1 1 1 -12 20 8  o 43.61266 10.94079  ?              ?        
1 1 1 -12 20 9  o 97.65305 3.755557  -10.95128      7.511113 
1 1 1 -12 20 10 o 67.89050 4.369058  0.1015167      8.738116 
1 1 1 -12 20 11 o 25.92537 6.845186  1.976385       13.69037 
1 1 1 -12 20 12 o 98.89041 3.919074  -3.323700      7.838147 
1 1 1 -12 20 13 o 57.30214 6.035640  -4.624191      12.07128 
1 1 1 -12 20 14 o 116.4528 4.322735  -5.479660      8.645470 
1 1 1 -12 20 15 o 22.04136 6.664790  -3.367348      13.32958 
1 1 1 -12 20 16 x ?        ?         ?              ?        
1 1 1 -12 20 17 o 28.56813 6.584538  -14.36182      13.16908 
1 1 1 -12 20 18 o 21.78031 6.064757  -11.24610      12.12951 
1 1 1 -12 20 19 o 23.08947 6.177239  4.648796       12.35448 
1 1 1 -12 20 20 o 17.18269 4.985741  -2.550220      9.971482 
1 1 1 -12 20 21 o 46.39252 4.372070  -10.15355      8.744141 
1 1 1 -12 20 22 o 22.06275 5.166445  1.989412       10.33289 
1 1 1 -12 20 23 o 28.10896 5.557170  -10.51854      11.11434 
1 1 1 -12 20 24 o 14.93960 4.472408  6.247186       8.944816 
1 1 1 -12 20 25 o 25.78794 8.691998  ?              ?        
1 1 1 -12 20 26 x ?        ?         ?              ?        
1 1 1 -12 20 27 x ?        ?         ?              ?        
1 1 1 -12 21 1  o 49.45268 5.441206  -4.383755      10.88241 
1 1 1 -12 21 2  o 45.49885 6.078376  -34.10557      12.15675 
1 1 1 -12 21 3  o 88.28369 4.174029  -4.455307      8.348058 
1 1 1 -12 21 4  o 25.06245 6.611112  -14.28964      13.22222 
1 1 1 -12 21 5  o 32.66615 7.107496  -9.131369      14.21499 
1 1 1 -12 21 6  o 49.07360 5.938917  2.105694       11.87783 
1 1 1 -12 21 7  f 52.47224 5.609221  -3.589233      11.21844 
1 1 1 -12 21 8  x ?        ?         ?              ?        
1 1 1 -12 21 9  o 39.53052 6.207757  -2.178043      12.41551 
1 1 1 -12 21 10 o 77.58124 4.193680  6.668060       8.387360 
1 1 1 -12 21 11 o 42.24044 7.094513  3.149052       14.18903 
1 1 1 -12 21 12 o 19.70191 5.963295  0.5262775      11.92659 
1 1 1 -12 21 13 o 17.81849 8.349081  ?              ?        
1 1 1 -12 21 14 x ?        ?         ?              ?        
1 1 1 -12 21 15 o 35.04498 6.782550  9.814486       13.56510 
1 1 1 -12 21 16 o 19.32329 5.785134  4.785606       11.57027 
1 1 1 -12 21 17 o 19.59440 5.790292  0.4815426      11.58058 
1 1 1 -12 21 18 o 19.59577 5.580681  6.807100       11.16136 
1 1 1 -12 21 19 o 31.64637 6.200965  -4.423384      12.40193 
1 1 1 -12 21 20 o 25.47761 5.247899  3.194824       10.49580 
1 1 1 -12 21 21 o 34.03623 4.480815  3.144382       8.961630 
1 1 1 -12 21 22 o 15.92929 4.659143  7.703343       9.318287 
1 1 1 -12 21 23 o 13.11601 4.355298  -6.915517      8.710596 
1 1 1 -12 21 24 o 21.70193 8.063251  ?              ?        
1 1 1 -12 21 25 x ?        ?         ?              ?        
1 1 1 -12 22 1  o 24.57323 9.380424  ?              ?        
1 1 1 -12 22 2  o 32.45977 6.815288  4.494358       13.63058 
1 1 1 -12 22 3  o 82.08032 4.153726  8.014427       8.307452 
1 1 1 -12 22 4  o 72.79266 4.520707  -12.74933      9.041413 
1 1 1 -12 22 5  o 23.76407 6.472381  -8.616768      12.94476 
1 1 1 -12 22 6  o 42.33482 6.287122  12.20362       12.57424 
1 1 1 -12 22 7  o 17.42920 7.914635  ?              ?        
1 1 1 -12 22 8  o 53.01063 7.044801  ?              ?        
1 1 1 -12 22 9  o 27.20424 6.375378  -1.990170      12.75076 
1 1 1 -12 22 10 o 56.23134 5.115550  -4.842312      10.23110 
1 1 1 -12 22 11 o 32.81683 7.334967  ?              ?        
1 1 1 -12 22 12 o 22.65781 5.908772  10.03354       11.81754 
1 1 1 -12 22 13 o 26.41780 6.434339  10.84106       12.86868 
1 1 1 -12 22 14 o 43.29387 6.012820  -17.14885      12.02564 
1 1 1 -12 22 15 o 33.28570 6.092406  16.33584       12.18481 
1 1 1 -12 22 16 o 24.67702 5.805799  -16.12089      11.61160 
1 1 1 -12 22 17 o 30.36441 5.886142  12.41810       11.77228 
1 1 1 -12 22 18 o 18.39561 5.543736  1.572374       11.08747 
1 1 1 -12 22 19 o 18.82181 5.429599  -0.5704689     10.85920 
1 1 1 -12 22 20 o 22.05686 5.490703  2.678801       10.98141 
1 1 1 -12 22 21 o 20.51320 5.353624  -7.857862      10.70725 
1 1 1 -12 22 22 o 21.37742 8.484804  ?              ?        
1 1 1 -12 22 23 x ?        ?         ?              ?        
1 1 1 -12 22 24 x ?        ?         ?              ?        
1 1 1 -12 23 1  o 37.67547 8.789997  ?              ?        
1 1 1 -12 23 2  o 26.91708 9.130921  ?              ?        
1 1 1 -12 23 3  o 14.54030 6.933865  ?              ?        
1 1 1 -12 23 4  o 43.20355 8.000297  ?              ?        
1 1 1 -12 23 5  o 36.77816 6.276026  21.14374       12.55205 
1 1 1 -12 23 6  o 70.60726 4.424975  1.734818       8.849951 
1 1 1 -12 23 7  o 52.60582 6.869670  ?              ?        
1 1 1 -12 23 8  o 26.48716 9.100010  ?              ?        
1 1 1 -12 23 9  o 46.75225 5.484277  -16.22149      10.96855 
1 1 1 -12 23 10 o 32.80402 5.641242  0.9282036      11.28248 
1 1 1 -12 23 11 o 35.21323 5.097523  -3.868153      10.19505 
1 1 1 -12 23 12 o 40.64156 4.543076  1.794697       9.086151 
1 1 1 -12 23 13 o 28.53612 6.245430  -7.556385      12.49086 
1 1 1 -12 23 14 o 50.91042 5.020530  -1.235195      10.04106 
1 1 1 -12 23 15 o 22.49944 5.725090  -10.25485      11.45018 
1 1 1 -12 23 16 o 26.96225 5.794419  15.53755       11.58884 
1 1 1 -12 23 17 o 19.59863 5.475441  -2.096581      10.95088 
1 1 1 -12 23 18 o 12.51144 4.113523  -0.4050894     8.227045 
1 1 1 -12 23 19 o 16.44060 4.932219  -8.468507      9.864437 
1 1 1 -12 23 20 x ?        ?         ?              ?        
1 1 1 -12 23 21 x ?        ?         ?              ?        
1 1 1 -12 23 22 x ?        ?         ?              ?        
1 1 1 -12 24 1  o 43.66223 6.758521  ?              ?        
1 1 1 -12 24 2  o 25.02582 8.910005  ?              ?        
1 1 1 -12 24 3  o 28.45220 8.678845  ?              ?        
1 1 1 -12 24 4  o 21.45374 8.328853  ?              ?        
1 1 1 -12 24 5  o 29.92019 6.394547  6.366898       12.78909 
1 1 1 -12 24 6  o 82.83176 3.957983  -1.782639      7.915967 
1 1 1 -12 24 7  o 23.22362 5.505191  -14.51909      11.01038 
1 1 1 -12 24 8  o 41.89082 5.157550  -9.489395      10.31510 
1 1 1 -12 24 9  o 17.37429 5.195245  -1.875387      10.39049 
1 1 1 -12 24 10 o 22.74199 5.313045  -4.853443      10.62609 
1 1 1 -12 24 11 o 30.43974 4.540936  -20.60455      9.081871 
1 1 1 -12 24 12 f 29.17419 5.132880  8.932421       10.26576 
1 1 1 -12 24 13 o 20.10194 5.427649  8.963765       10.85530 
1 1 1 -12 24 14 o 37.49255 5.384377  8.325798       10.76875 
1 1 1 -12 24 15 o 24.48217 5.203248  12.86017       10.40650 
1 1 1 -12 24 16 o 29.23441 5.699815  -11.39038      11.39963 
1 1 1 -12 24 17 o 16.36130 7.280702  ?              ?        
1 1 1 -12 24 18 x ?        ?         ?              ?        
1 1 1 -12 24 19 x ?        ?         ?              ?        
1 1 1 -12 24 20 x ?        ?         ?              ?        
1 1 1 -12 25 1  o 28.66738 7.476323  ?              ?        
1 1 1 -12 25 2  o 34.06927 6.785621  ?              ?        
1 1 1 -12 25 3  f 36.86395 6.883039  ?              ?        
1 1 1 -12 25 4  o 11.60187 5.653245  ?              ?        
1 1 1 -12 25 5  o 47.66412 4.175867  7.312950       8.351733 
1 1 1 -12 25 6  o 24.00469 5.499683  -8.095358      10.99937 
1 1 1 -12 25 7  o 38.04780 5.046087  -11.47190      10.09217 
1 1 1 -12 25 8  o 22.87836 5.449271  -5.863977      10.89854 
1 1 1 -12 25 9  o 32.95605 7.971297  ?              ?        
1 1 1 -12 25 10 o 17.36479 4.861717  3.395656       9.723433 
1 1 1 -12 25 11 o 25.32586 4.837406  4.547401       9.674812 
1 1 1 -12 25 12 o 20.55901 5.205461  6.759966       10.41092 
1 1 1 -12 25 13 o 25.16363 5.979992  -5.828552      11.95998 
1 1 1 -12 25 14 o 13.54198 5.966390  ?              ?        
1 1 1 -12 25 15 x ?        ?         ?              ?        
1 1 1 -12 25 16 x ?        ?         ?              ?        
1 1 1 -12 25 17 x ?        ?         ?              ?        
1 1 1 -12 25 18 x ?        ?         ?              ?        
1 1 1 -12 26 1  f 30.41160 6.384073  ?              ?        
1 1 1 -12 26 2  o 11.79825 5.455236  ?              ?        
1 1 1 -12 26 3  f 24.78598 6.753735  ?              ?        
1 1 1 -12 26 4  o 13.10696 5.950513  ?              ?        
1 1 1 -12 26 5  o 16.24179 6.228088  ?              ?        
1 1 1 -12 26 6  o 31.44355 4.914436  7.711016       9.828873 
1 1 1 -12 26 7  o 25.74927 5.366572  -1.038557      10.73314 
1 1 1 -12 26 8  o 18.04067 7.097147  ?              ?        
1 1 1 -12 26 9  x ?        ?         ?              ?        
1 1 1 -12 26 10 o 16.99805 6.905458  ?              ?        
1 1 1 -12 26 11 x ?        ?         ?              ?        
1 1 1 -12 26 12 x ?        ?         ?              ?        
1 1 1 -12 26 13 x ?        ?         ?              ?        
1 1 1 -12 26 14 x ?        ?         ?              ?        
1 1 1 -12 26 15 x ?        ?         ?              ?        
1 1 1 -12 26 16 x ?        ?         ?              ?        
1 1 1 -12 27 1  o 14.38789 6.113828  ?              ?        
1 1 1 -12 27 2  o 32.30581 6.633897  ?              ?        
1 1 1 -12 27 3  x ?        ?         ?              ?        
1 1 1 -12 27 4  x ?        ?         ?              ?        
1 1 1 -12 27 5  x ?        ?         ?              ?        
1 1 1 -12 27 6  x ?        ?         ?              ?        
1 1 1 -12 27 7  f 23.28360 7.501904  ?              ?        
1 1 1 -12 27 8  x ?        ?         ?              ?        
1 1 1 -12 27 9  x ?        ?         ?              ?        
1 1 1 -12 27 10 x ?        ?         ?              ?        
1 1 1 -12 27 11 x ?        ?         ?              ?        
1 1 1 -12 27 12 x ?        ?         ?              ?        
1 1 1 -12 28 1  x ?        ?         ?              ?        
1 1 1 -12 28 2  x ?        ?         ?              ?        
1 1 1 -12 28 3  x ?        ?         ?              ?        
1 1 1 -12 28 4  x ?        ?         ?              ?        
1 1 1 -12 28 5  x ?        ?         ?              ?        
1 1 1 -12 28 6  x ?        ?         ?              ?        
1 1 1 -11 0  1  f 14.58886 3.537674  -0.000000      0.000000 
1 1 1 -11 0  2  o 65.36266 1.421340  -0.000000      0.000000 
1 1 1 -11 0  3  o 143.0458 2.134617  -0.000000      0.000000 
1 1 1 -11 0  4  x ?        ?         ?              ?        
1 1 1 -11 0  5  o 248.0121 3.413034  -0.000000      0.000000 
1 1 1 -11 0  6  f 334.7434 4.524134  -0.000000      0.000000 
1 1 1 -11 0  7  o 129.9999 2.041015  -0.000000      0.000000 
1 1 1 -11 0  8  o 62.96558 1.588467  -0.000000      0.000000 
1 1 1 -11 0  9  o 167.4525 2.474514  -0.000000      0.000000 
1 1 1 -11 0  10 o 428.2993 8.118771  -0.000000      0.000000 
1 1 1 -11 0  11 o 187.2180 2.733427  -0.000000      0.000000 
1 1 1 -11 0  12 o 158.8316 2.450502  -0.000000      0.000000 
1 1 1 -11 0  13 o 137.3114 3.473103  -0.000000      0.000000 
1 1 1 -11 0  14 o 217.1833 4.630486  -0.000000      0.000000 
1 1 1 -11 0  15 o 37.67173 3.159609  -0.000000      0.000000 
1 1 1 -11 0  16 o 16.56727 6.787061  -0.000000      0.000000 
1 1 1 -11 0  17 o 250.8196 5.230849  -0.000000      0.000000 
1 1 1 -11 0  18 o 101.6179 2.183529  -0.000000      0.000000 
1 1 1 -11 0  19 o 103.9683 2.884507  -0.000000      0.000000 
1 1 1 -11 0  20 o 97.60834 2.268038  -0.000000      0.000000 
1 1 1 -11 0  21 o 53.55334 2.540050  -0.000000      0.000000 
1 1 1 -11 0  22 o 79.48866 2.351139  -0.000000      0.000000 
1 1 1 -11 0  23 x ?        ?         ?              ?        
1 1 1 -11 0  24 o 20.42560 6.219649  -0.000000      0.000000 
1 1 1 -11 0  25 o 77.80508 4.255992  -0.000000      0.000000 
1 1 1 -11 0  26 o 63.95019 2.811843  -0.000000      0.000000 
1 1 1 -11 0  27 o 19.61793 8.436478  -0.000000      0.000000 
1 1 1 -11 0  28 o 18.68561 7.628168  -0.000000      0.000000 
1 1 1 -11 0  29 f 53.08889 3.601587  -0.000000      0.000000 
1 1 1 -11 0  30 o 11.76571 6.849956  -0.000000      0.000000 
1 1 1 -11 0  31 o 14.29362 7.403799  -0.000000      0.000000 
1 1 1 -11 0  32 o 8.626432 5.743670  -0.000000      0.000000 
1 1 1 -11 0  33 o 7.898176 5.668172  -0.000000      0.000000 
1 1 1 -11 0  34 o 31.05338 5.761889  -0.000000      0.000000 
1 1 1 -11 0  35 o 12.47730 7.225752  -0.000000      0.000000 
1 1 1 -11 0  36 o 34.46417 5.306616  -0.000000      0.000000 
1 1 1 -11 0  37 o 14.68793 7.566931  -0.000000      0.000000 
1 1 1 -11 1  1  o 338.1335 3.232848  -13.92856      6.465695 
1 1 1 -11 1  2  o 73.08324 1.094810  -3.067467      2.189620 
1 1 1 -11 1  3  o 246.1627 2.405815  -6.005524      4.811630 
1 1 1 -11 1  4  o 285.0093 5.436266  ?              ?        
1 1 1 -11 1  5  o 223.2086 2.211359  2.062393       4.422718 
1 1 1 -11 1  6  f 366.5347 3.497920  8.576080       6.995840 
1 1 1 -11 1  7  o 128.2247 3.155315  ?              ?        
1 1 1 -11 1  8  o 177.9917 1.841093  3.264633       3.682186 
1 1 1 -11 1  9  o 55.99060 1.230944  -3.133049      2.461888 
1 1 1 -11 1  10 o 188.6982 2.722639  -6.704514      5.445278 
1 1 1 -11 1  11 o 136.4237 1.566989  -6.182755      3.133978 
1 1 1 -11 1  12 o 307.5269 2.996923  -10.49911      5.993847 
1 1 1 -11 1  13 o 109.7947 2.289894  -8.932045      4.579788 
1 1 1 -11 1  14 o 66.70862 2.561823  5.380219       5.123646 
1 1 1 -11 1  15 o 55.63540 1.735312  -2.551147      3.470624 
1 1 1 -11 1  16 o 154.1132 1.806500  0.9919891      3.613000 
1 1 1 -11 1  17 o 147.9879 2.671196  3.454330       5.342391 
1 1 1 -11 1  18 o 57.01410 1.761806  11.31302       3.523612 
1 1 1 -11 1  19 o 87.24688 2.003379  1.458298       4.006758 
1 1 1 -11 1  20 o 16.43444 3.629261  6.721123       7.258522 
1 1 1 -11 1  21 o 98.06057 1.626074  3.460297       3.252147 
1 1 1 -11 1  22 o 64.53238 1.725661  -6.177376      3.451323 
1 1 1 -11 1  23 o 75.20044 2.864677  ?              ?        
1 1 1 -11 1  24 o 68.77408 1.817026  -1.833580      3.634053 
1 1 1 -11 1  25 f 53.89856 3.577640  9.697186       7.155281 
1 1 1 -11 1  26 o 137.1264 1.970058  1.577499       3.940117 
1 1 1 -11 1  27 o 181.0590 3.064840  0.6701508      6.129681 
1 1 1 -11 1  28 o 22.62378 4.243608  -8.173859      8.487217 
1 1 1 -11 1  29 o 44.01974 2.837864  -7.311970      5.675728 
1 1 1 -11 1  30 o 21.62223 4.419396  2.281029       8.838792 
1 1 1 -11 1  31 o 31.66945 4.927379  ?              ?        
1 1 1 -11 1  32 o 24.53497 5.510635  ?              ?        
1 1 1 -11 1  33 o 18.75657 5.040029  8.892604       10.08006 
1 1 1 -11 1  34 f 19.51715 4.936630  3.586311       9.873260 
1 1 1 -11 1  35 o 15.36133 5.978739  ?              ?        
1 1 1 -11 1  36 o 21.43789 4.442019  -9.492672      8.884038 
1 1 1 -11 1  37 o 20.12584 4.487571  3.001911       8.975142 
1 1 1 -11 2  1  o 203.1662 2.081822  4.612030       4.163644 
1 1 1 -11 2  2  o 312.6459 3.033494  -12.39740      6.066987 
1 1 1 -11 2  3  o 184.1153 1.930121  4.702011       3.860241 
1 1 1 -11 2  4  f 182.7754 2.722077  5.648773       5.444154 
1 1 1 -11 2  5  o 43.80504 2.200212  ?              ?        
1 1 1 -11 2  6  o 221.8124 2.251783  8.428482       4.503566 
1 1 1 -11 2  7  o 181.5972 2.722396  1.236679       5.444792 
1 1 1 -11 2  8  o 71.72173 1.295583  -4.900856      2.591166 
1 1 1 -11 2  9  o 216.6548 2.735466  -6.767975      5.470931 
1 1 1 -11 2  10 o 99.66703 1.404619  -1.077209      2.809238 
1 1 1 -11 2  11 o 119.0634 1.517719  -8.935600      3.035438 
1 1 1 -11 2  12 o 191.0349 2.034943  -0.3601532     4.069887 
1 1 1 -11 2  13 o 183.7668 2.519295  -7.894073      5.038590 
1 1 1 -11 2  14 o 159.4807 2.662757  1.539642       5.325514 
1 1 1 -11 2  15 o 199.7747 2.141680  4.682007       4.283360 
1 1 1 -11 2  16 o 121.9516 1.666586  2.278214       3.333173 
1 1 1 -11 2  17 o 72.14691 1.696652  4.056129       3.393305 
1 1 1 -11 2  18 o 127.9891 1.727958  -3.376213      3.455917 
1 1 1 -11 2  19 o 169.6815 2.350770  -1.514328      4.701541 
1 1 1 -11 2  20 o 70.89024 1.656921  2.794342       3.313842 
1 1 1 -11 2  21 o 69.58476 1.715360  -0.4204865     3.430720 
1 1 1 -11 2  22 o 90.02899 1.681591  6.814270       3.363181 
1 1 1 -11 2  23 o 102.8861 2.413657  -3.770424      4.827314 
1 1 1 -11 2  24 o 213.0824 2.405046  -7.957932      4.810092 
1 1 1 -11 2  25 o 87.56943 2.939055  3.863220       5.878111 
1 1 1 -11 2  26 o 15.67591 4.054376  -3.877303      8.108752 
1 1 1 -11 2  27 o 55.35118 2.906602  -8.510490      5.813205 
1 1 1 -11 2  28 o 82.34771 2.043975  5.554947       4.087949 
1 1 1 -11 2  29 o 55.61423 2.486088  -6.304760      4.972177 
1 1 1 -11 2  30 o 17.88637 4.444834  2.739965       8.889668 
1 1 1 -11 2  31 f 59.25322 2.431144  -3.228737      4.862288 
1 1 1 -11 2  32 o 35.24495 3.184411  -1.292313      6.368822 
1 1 1 -11 2  33 o 12.83443 3.934717  0.1763878      7.869434 
1 1 1 -11 2  34 o 34.85371 4.567873  -7.970402      9.135746 
1 1 1 -11 2  35 o 11.55157 3.726940  1.947916       7.453880 
1 1 1 -11 2  36 o 17.23538 4.305024  6.554932       8.610047 
1 1 1 -11 2  37 o 21.54245 4.592891  -4.856024      9.185782 
1 1 1 -11 3  1  o 386.9581 3.739458  -0.4663391     7.478916 
1 1 1 -11 3  2  f 212.7280 2.227615  -4.230423      4.455229 
1 1 1 -11 3  3  o 213.0177 2.234076  7.205170       4.468152 
1 1 1 -11 3  4  o 164.4927 1.882773  9.404831       3.765545 
1 1 1 -11 3  5  o 205.6061 2.173503  -4.632019      4.347005 
1 1 1 -11 3  6  f 58.26134 1.503686  4.736839       3.007371 
1 1 1 -11 3  7  o 198.6061 2.514832  8.237244       5.029664 
1 1 1 -11 3  8  o 117.5574 1.571646  -2.757286      3.143293 
1 1 1 -11 3  9  o 54.56577 2.331839  -7.378010      4.663678 
1 1 1 -11 3  10 o 105.2504 1.540977  -6.152657      3.081953 
1 1 1 -11 3  11 o 83.88799 1.505653  1.454872       3.011307 
1 1 1 -11 3  12 o 164.9416 1.908691  -1.526276      3.817383 
1 1 1 -11 3  13 o 142.1036 2.279095  -6.318314      4.558190 
1 1 1 -11 3  14 o 160.4509 2.274976  1.014282       4.549952 
1 1 1 -11 3  15 o 205.2051 2.248806  5.071472       4.497612 
1 1 1 -11 3  16 o 39.25337 4.061067  -8.855888      8.122134 
1 1 1 -11 3  17 o 237.0682 2.503071  -12.76900      5.006142 
1 1 1 -11 3  18 o 46.99616 2.502798  0.3292847      5.005596 
1 1 1 -11 3  19 o 148.4194 1.887914  2.209702       3.775828 
1 1 1 -11 3  20 o 29.86920 2.750279  0.8764973      5.500558 
1 1 1 -11 3  21 o 34.12323 2.580858  -2.303699      5.161717 
1 1 1 -11 3  22 o 92.41399 1.772076  -2.445145      3.544152 
1 1 1 -11 3  23 o 93.95783 2.087265  ?              ?        
1 1 1 -11 3  24 o 79.48495 1.899353  8.269554       3.798705 
1 1 1 -11 3  25 o 48.06459 3.966889  3.728085       7.933778 
1 1 1 -11 3  26 o 79.00539 2.074100  -11.81143      4.148199 
1 1 1 -11 3  27 o 60.85937 2.482440  -0.8706284E-01 4.964880 
1 1 1 -11 3  28 o 70.61340 2.214211  -4.310638      4.428423 
1 1 1 -11 3  29 o 23.08956 4.437160  -1.945610      8.874321 
1 1 1 -11 3  30 o 34.71345 3.433246  -8.128553      6.866493 
1 1 1 -11 3  31 o 19.98950 4.444026  -4.357735      8.888053 
1 1 1 -11 3  32 o 26.84865 5.074194  -3.299446      10.14839 
1 1 1 -11 3  33 o 52.60170 2.603157  1.459702       5.206314 
1 1 1 -11 3  34 o 36.35406 4.717830  -14.78644      9.435659 
1 1 1 -11 3  35 o 16.00345 4.299405  3.540703       8.598810 
1 1 1 -11 3  36 o 18.06938 4.199652  -12.96043      8.399303 
1 1 1 -11 4  1  o 112.3124 1.625615  -6.005928      3.251230 
1 1 1 -11 4  2  f 226.9612 2.410463  3.527496       4.820926 
1 1 1 -11 4  3  o 188.8622 2.108310  -1.628555      4.216621 
1 1 1 -11 4  4  o 138.8671 1.787586  -2.269501      3.575172 
1 1 1 -11 4  5  o 167.2387 1.966748  4.725433       3.933497 
1 1 1 -11 4  6  o 183.8665 2.929519  9.973572       5.859038 
1 1 1 -11 4  7  o 210.2606 2.287797  6.485504       4.575595 
1 1 1 -11 4  8  o 146.8303 2.229300  2.499207       4.458601 
1 1 1 -11 4  9  o 268.3219 2.767615  7.100067       5.535229 
1 1 1 -11 4  10 o 221.4510 2.373799  6.386826       4.747598 
1 1 1 -11 4  11 o 33.84581 2.613261  1.418152       5.226521 
1 1 1 -11 4  12 o 127.6485 1.804423  -5.141914      3.608845 
1 1 1 -11 4  13 o 235.7292 3.203337  9.200745       6.406673 
1 1 1 -11 4  14 o 139.1963 2.210930  -3.318909      4.421860 
1 1 1 -11 4  15 o 59.69920 2.188339  -5.321453      4.376678 
1 1 1 -11 4  16 o 172.3456 2.947587  2.207336       5.895175 
1 1 1 -11 4  17 o 105.3347 1.826506  -3.679382      3.653013 
1 1 1 -11 4  18 o 152.9132 2.767260  11.99460       5.534520 
1 1 1 -11 4  19 f 58.76951 1.983299  0.5843048      3.966598 
1 1 1 -11 4  20 o 56.45522 2.071696  -4.862732      4.143392 
1 1 1 -11 4  21 o 43.83265 2.300656  -5.046021      4.601311 
1 1 1 -11 4  22 o 30.20346 3.206385  -0.2700787     6.412770 
1 1 1 -11 4  23 o 32.35796 2.959034  8.956476       5.918068 
1 1 1 -11 4  24 o 119.9393 2.274210  2.780945       4.548419 
1 1 1 -11 4  25 o 64.18140 2.233649  -0.5891228     4.467299 
1 1 1 -11 4  26 o 93.29681 2.582348  -2.750229      5.164695 
1 1 1 -11 4  27 o 81.01705 2.137756  4.664749       4.275512 
1 1 1 -11 4  28 o 57.90300 2.629278  -8.138859      5.258557 
1 1 1 -11 4  29 o 107.3497 2.199505  -7.456421      4.399010 
1 1 1 -11 4  30 o 80.82755 2.198104  -0.3269119     4.396207 
1 1 1 -11 4  31 o 26.12347 4.173168  -4.241503      8.346336 
1 1 1 -11 4  32 o 28.83472 5.067992  -7.867609      10.13598 
1 1 1 -11 4  33 o 55.65975 2.628442  -12.26283      5.256884 
1 1 1 -11 4  34 o 11.49841 3.905779  -4.330935      7.811557 
1 1 1 -11 4  35 o 19.45639 4.622778  -8.044234      9.245557 
1 1 1 -11 4  36 o 21.68892 4.706854  -3.259472      9.413709 
1 1 1 -11 5  1  o 235.0167 3.043194  -1.768311      6.086389 
1 1 1 -11 5  2  f 158.6898 1.981278  5.539108       3.962556 
1 1 1 -11 5  3  f 206.0406 2.310073  1.230103       4.620147 
1 1 1 -11 5  4  o 224.8528 2.463130  1.836441       4.926260 
1 1 1 -11 5  5  o 206.8611 3.252843  4.513351       6.505686 
1 1 1 -11 5  6  o 249.9509 2.664571  9.218567       5.329143 
1 1 1 -11 5  7  o 303.9922 3.742246  9.312622       7.484492 
1 1 1 -11 5  8  o 142.3181 2.430280  -1.628845      4.860559 
1 1 1 -11 5  9  f 177.3448 2.120505  0.7624359      4.241009 
1 1 1 -11 5  10 o 142.7241 1.928693  -2.617325      3.857387 
1 1 1 -11 5  11 f 84.64468 1.900325  -5.545372      3.800651 
1 1 1 -11 5  12 f 99.36674 1.889049  1.316620       3.778099 
1 1 1 -11 5  13 o 225.9196 3.133901  -2.517487      6.267802 
1 1 1 -11 5  14 o 107.4345 2.169642  4.182846       4.339284 
1 1 1 -11 5  15 o 187.1541 3.168957  -3.125168      6.337915 
1 1 1 -11 5  16 o 59.01586 2.360415  -14.54584      4.720829 
1 1 1 -11 5  17 o 145.8099 2.499709  -0.9802094     4.999419 
1 1 1 -11 5  18 o 115.2867 1.901342  6.966881       3.802685 
1 1 1 -11 5  19 o 134.2904 1.947172  -0.4237213     3.894344 
1 1 1 -11 5  20 o 50.83894 2.158553  -3.430485      4.317105 
1 1 1 -11 5  21 o 23.49305 3.757860  -5.727167      7.515721 
1 1 1 -11 5  22 o 162.0430 2.137278  0.5053253      4.274557 
1 1 1 -11 5  23 o 18.09564 4.250005  -0.4904804     8.500010 
1 1 1 -11 5  24 o 24.14858 5.391350  11.72939       10.78270 
1 1 1 -11 5  25 o 42.41481 3.312668  -16.79931      6.625336 
1 1 1 -11 5  26 o 67.67133 3.310091  4.888245       6.620182 
1 1 1 -11 5  27 o 83.54737 2.239035  1.555328       4.478071 
1 1 1 -11 5  28 o 66.55553 2.477494  0.6389999      4.954988 
1 1 1 -11 5  29 o 63.13956 2.523339  2.536045       5.046677 
1 1 1 -11 5  30 o 34.23403 3.802452  -3.238880      7.604904 
1 1 1 -11 5  31 o 45.43729 3.140573  -12.28357      6.281145 
1 1 1 -11 5  32 o 54.30514 3.621212  -16.55307      7.242424 
1 1 1 -11 5  33 o 14.95158 4.279404  -5.333906      8.558807 
1 1 1 -11 5  34 o 14.77313 4.618160  -5.036576      9.236320 
1 1 1 -11 5  35 o 23.63568 4.589321  -8.635071      9.178642 
1 1 1 -11 5  36 o 17.14488 4.414109  -11.36460      8.828218 
1 1 1 -11 6  1  o 217.6337 2.906779  -8.537338      5.813559 
1 1 1 -11 6  2  o 405.1662 4.847272  -6.725189      9.694545 
1 1 1 -11 6  3  o 124.6974 2.267922  1.850098       4.535844 
1 1 1 -11 6  4  o 285.4553 3.652299  2.277588       7.304598 
1 1 1 -11 6  5  o 82.47821 1.891129  6.597939       3.782259 
1 1 1 -11 6  6  o 129.7614 2.340027  -5.405945      4.680054 
1 1 1 -11 6  7  o 153.8546 2.678611  8.221664       5.357221 
1 1 1 -11 6  8  o 229.3426 2.564504  2.465576       5.129008 
1 1 1 -11 6  9  o 319.5269 3.272853  6.598663       6.545705 
1 1 1 -11 6  10 o 325.9220 3.335982  1.267700       6.671965 
1 1 1 -11 6  11 o 358.0232 3.621900  6.689301       7.243801 
1 1 1 -11 6  12 o 138.4776 2.075264  -0.8023071E-01 4.150528 
1 1 1 -11 6  13 o 128.6307 2.590377  4.290817       5.180753 
1 1 1 -11 6  14 o 117.0145 2.392123  -9.053673      4.784245 
1 1 1 -11 6  15 o 83.62096 2.138581  -1.244904      4.277162 
1 1 1 -11 6  16 o 132.4590 2.053981  -5.158981      4.107962 
1 1 1 -11 6  17 o 92.96664 2.938800  -7.214256      5.877601 
1 1 1 -11 6  18 o 63.67551 2.215236  -2.639252      4.430472 
1 1 1 -11 6  19 o 224.6927 2.583262  11.90807       5.166525 
1 1 1 -11 6  20 o 23.14254 4.106674  2.091745       8.213347 
1 1 1 -11 6  21 o 101.5861 1.999704  4.675354       3.999408 
1 1 1 -11 6  22 o 34.20811 3.103714  12.17175       6.207428 
1 1 1 -11 6  23 o 89.12554 2.243267  -2.941727      4.486535 
1 1 1 -11 6  24 o 81.25000 3.015422  -1.378464      6.030845 
1 1 1 -11 6  25 o 34.95825 4.893129  -17.64901      9.786259 
1 1 1 -11 6  26 o 101.0465 2.609011  2.114868       5.218021 
1 1 1 -11 6  27 o 26.10134 4.699206  16.88085       9.398413 
1 1 1 -11 6  28 o 89.99049 2.392525  -1.414284      4.785050 
1 1 1 -11 6  29 o 25.89746 4.328674  -9.367910      8.657348 
1 1 1 -11 6  30 o 27.04034 4.416346  -7.798544      8.832692 
1 1 1 -11 6  31 o 52.09031 3.412633  -21.57506      6.825267 
1 1 1 -11 6  32 o 29.82720 4.066184  -8.003050      8.132367 
1 1 1 -11 6  33 o 17.50492 4.782135  -3.085512      9.564270 
1 1 1 -11 6  34 o 32.90119 3.805910  -21.08608      7.611820 
1 1 1 -11 6  35 o 18.30533 4.723115  -6.497238      9.446230 
1 1 1 -11 6  36 o 11.31088 3.723269  0.2325907      7.446537 
1 1 1 -11 7  1  o 245.2443 3.280508  1.306519       6.561017 
1 1 1 -11 7  2  o 240.0867 3.265328  7.373123       6.530656 
1 1 1 -11 7  3  o 244.8896 3.823652  7.909790       7.647304 
1 1 1 -11 7  4  o 208.8059 2.976413  0.3228607      5.952825 
1 1 1 -11 7  5  o 262.7796 3.454245  2.158020       6.908491 
1 1 1 -11 7  6  f 175.9959 2.957761  7.726273       5.915522 
1 1 1 -11 7  7  o 48.00196 2.482267  10.28437       4.964534 
1 1 1 -11 7  8  o 219.9933 2.553723  4.191422       5.107447 
1 1 1 -11 7  9  o 198.3514 2.422953  3.289627       4.845905 
1 1 1 -11 7  10 o 165.4774 2.241508  0.1005554E-01  4.483015 
1 1 1 -11 7  11 o 70.56976 2.356142  -1.596397      4.712285 
1 1 1 -11 7  12 o 95.25360 2.231118  -7.310951      4.462237 
1 1 1 -11 7  13 o 59.46349 3.338462  -4.282742      6.676925 
1 1 1 -11 7  14 o 104.1088 2.914114  0.8767929      5.828228 
1 1 1 -11 7  15 o 75.51488 2.255099  9.277054       4.510197 
1 1 1 -11 7  16 o 135.9456 3.149183  -4.358688      6.298365 
1 1 1 -11 7  17 o 56.85863 2.518091  -4.472248      5.036181 
1 1 1 -11 7  18 o 116.8525 2.060431  5.188683       4.120861 
1 1 1 -11 7  19 o 36.57259 3.134149  0.6646194      6.268298 
1 1 1 -11 7  20 o 71.35171 2.193658  1.994507       4.387317 
1 1 1 -11 7  21 o 68.63748 2.263984  -4.213615      4.527967 
1 1 1 -11 7  22 o 142.0615 2.206792  -0.1115112     4.413585 
1 1 1 -11 7  23 o 75.11739 3.067187  -11.67388      6.134373 
1 1 1 -11 7  24 o 85.44688 2.250129  2.328819       4.500257 
1 1 1 -11 7  25 o 138.9620 3.296534  -5.556763      6.593067 
1 1 1 -11 7  26 o 60.47145 2.853253  -4.466908      5.706507 
1 1 1 -11 7  27 o 73.25632 2.641162  6.452568       5.282323 
1 1 1 -11 7  28 o 76.68085 2.466404  -2.849075      4.932809 
1 1 1 -11 7  29 o 50.66963 2.993261  -7.763954      5.986522 
1 1 1 -11 7  30 o 22.69238 4.576736  -6.637184      9.153472 
1 1 1 -11 7  31 o 59.14144 3.617532  -17.04083      7.235064 
1 1 1 -11 7  32 o 18.56804 4.686757  -5.463377      9.373514 
1 1 1 -11 7  33 o 18.80318 4.765472  5.075857       9.530944 
1 1 1 -11 7  34 o 19.44361 4.649524  2.210373       9.299048 
1 1 1 -11 7  35 o 16.67052 4.703289  -9.668346      9.406577 
1 1 1 -11 7  36 o 17.55002 4.784245  -4.638759      9.568489 
1 1 1 -11 8  1  o 172.3761 3.252643  -0.1993713     6.505287 
1 1 1 -11 8  2  o 307.0202 3.910262  -4.794250      7.820523 
1 1 1 -11 8  3  o 195.0165 3.331978  4.562668       6.663956 
1 1 1 -11 8  4  o 52.25823 3.456705  ?              ?        
1 1 1 -11 8  5  o 87.68803 2.622262  2.361549       5.244524 
1 1 1 -11 8  6  o 294.8618 3.873557  1.658752       7.747115 
1 1 1 -11 8  7  o 92.85899 2.203863  1.260956       4.407726 
1 1 1 -11 8  8  o 118.0345 2.180293  0.2366180      4.360586 
1 1 1 -11 8  9  o 455.8844 4.533250  0.1956482      9.066501 
1 1 1 -11 8  10 o 227.8661 4.000628  ?              ?        
1 1 1 -11 8  11 o 249.4269 2.856422  4.096481       5.712844 
1 1 1 -11 8  12 o 82.04310 2.430830  6.461243       4.861661 
1 1 1 -11 8  13 o 238.7578 3.867161  0.8801422      7.734321 
1 1 1 -11 8  14 o 122.5197 2.558439  8.950752       5.116878 
1 1 1 -11 8  15 o 246.7802 4.169549  -7.140427      8.339097 
1 1 1 -11 8  16 o 166.7126 2.331976  -1.871887      4.663951 
1 1 1 -11 8  17 o 61.98433 2.386791  3.061043       4.773582 
1 1 1 -11 8  18 o 25.91520 3.985096  -16.89929      7.970192 
1 1 1 -11 8  19 o 87.65466 2.226679  -7.427071      4.453359 
1 1 1 -11 8  20 o 118.3084 2.151652  1.617302       4.303304 
1 1 1 -11 8  21 o 85.31142 2.230950  3.758682       4.461899 
1 1 1 -11 8  22 o 124.9274 2.477032  10.50289       4.954064 
1 1 1 -11 8  23 o 82.87204 2.314254  1.072548       4.628507 
1 1 1 -11 8  24 o 123.3201 3.085417  3.137398       6.170833 
1 1 1 -11 8  25 o 57.67717 2.996150  -6.593006      5.992301 
1 1 1 -11 8  26 o 89.67903 2.557451  -10.62660      5.114902 
1 1 1 -11 8  27 o 103.6230 2.465450  0.1373825      4.930901 
1 1 1 -11 8  28 o 49.15001 3.291040  -6.155762      6.582080 
1 1 1 -11 8  29 o 44.96397 3.477530  -7.428757      6.955060 
1 1 1 -11 8  30 o 58.00521 3.145616  -0.4541817     6.291233 
1 1 1 -11 8  31 o 49.52531 4.029852  -21.71233      8.059705 
1 1 1 -11 8  32 o 26.37811 5.217143  0.6386948      10.43429 
1 1 1 -11 8  33 o 13.88511 3.982663  -9.711853      7.965327 
1 1 1 -11 8  34 o 15.89534 4.328282  4.039883       8.656564 
1 1 1 -11 8  35 f 35.00591 3.948733  -31.42216      7.897466 
1 1 1 -11 9  1  o 44.56837 3.745709  -2.946346      7.491417 
1 1 1 -11 9  2  o 186.2612 3.384377  ?              ?        
1 1 1 -11 9  3  o 173.5221 3.326336  ?              ?        
1 1 1 -11 9  4  o 175.9864 2.916254  3.900787       5.832509 
1 1 1 -11 9  5  o 332.9244 7.019791  ?              ?        
1 1 1 -11 9  6  o 85.62070 2.900859  -5.128159      5.801718 
1 1 1 -11 9  7  o 68.33527 3.177183  -10.05963      6.354366 
1 1 1 -11 9  8  o 240.7739 3.410069  0.7936554      6.820138 
1 1 1 -11 9  9  o 153.6833 2.366761  4.818680       4.733523 
1 1 1 -11 9  10 o 134.5796 2.370439  -3.407639      4.740877 
1 1 1 -11 9  11 o 199.4894 3.579914  -5.346130      7.159828 
1 1 1 -11 9  12 o 68.71886 2.747741  -2.624069      5.495481 
1 1 1 -11 9  13 o 25.43694 5.627100  16.92951       11.25420 
1 1 1 -11 9  14 o 136.9436 5.468236  ?              ?        
1 1 1 -11 9  15 o 82.53320 2.658403  5.017578       5.316806 
1 1 1 -11 9  16 o 92.63657 2.277575  4.198639       4.555150 
1 1 1 -11 9  17 o 41.11079 3.334540  -9.994400      6.669079 
1 1 1 -11 9  18 o 127.5537 2.267830  -4.391029      4.535659 
1 1 1 -11 9  19 o 58.35448 2.708121  -3.843422      5.416241 
1 1 1 -11 9  20 o 68.89465 2.496256  -2.136414      4.992512 
1 1 1 -11 9  21 o 179.5741 2.840854  5.196899       5.681708 
1 1 1 -11 9  22 o 34.32115 5.559649  -0.1421432     11.11930 
1 1 1 -11 9  23 o 83.16902 3.289810  9.281532       6.579619 
1 1 1 -11 9  24 o 133.2352 2.970915  -2.017319      5.941830 
1 1 1 -11 9  25 o 57.19524 3.131907  -0.7688408     6.263813 
1 1 1 -11 9  26 o 48.15246 3.589234  -2.307571      7.178469 
1 1 1 -11 9  27 f 67.81915 2.886148  2.821732       5.772295 
1 1 1 -11 9  28 o 29.83282 4.669344  -7.617817      9.338688 
1 1 1 -11 9  29 o 22.52364 5.007390  12.06321       10.01478 
1 1 1 -11 9  30 o 41.64586 5.073758  -20.89572      10.14752 
1 1 1 -11 9  31 o 19.42425 5.039550  -2.376352      10.07910 
1 1 1 -11 9  32 o 40.17043 3.936020  -23.59444      7.872040 
1 1 1 -11 9  33 o 18.76826 4.675774  -2.105379      9.351547 
1 1 1 -11 9  34 o 47.68780 3.145240  -29.40031      6.290481 
1 1 1 -11 9  35 o 43.17847 3.587089  -27.23526      7.174177 
1 1 1 -11 10 1  o 25.10792 5.002137  -10.91053      10.00427 
1 1 1 -11 10 2  o 149.1856 2.822150  9.350174       5.644301 
1 1 1 -11 10 3  o 156.0390 2.889589  5.961105       5.779179 
1 1 1 -11 10 4  o 57.71103 3.496331  7.496727       6.992663 
1 1 1 -11 10 5  o 338.6553 7.194802  ?              ?        
1 1 1 -11 10 6  o 220.4283 3.298819  -3.317947      6.597637 
1 1 1 -11 10 7  o 200.1922 3.207685  14.16536       6.415370 
1 1 1 -11 10 8  o 94.83853 2.922294  -2.894821      5.844589 
1 1 1 -11 10 9  o 280.4141 3.858670  5.661469       7.717340 
1 1 1 -11 10 10 o 157.4517 3.353330  -14.69444      6.706660 
1 1 1 -11 10 11 o 131.0244 2.898330  4.978973       5.796659 
1 1 1 -11 10 12 o 61.77295 2.913509  8.464001       5.827018 
1 1 1 -11 10 13 o 114.4963 4.279205  ?              ?        
1 1 1 -11 10 14 o 90.89243 2.829556  -2.020279      5.659112 
1 1 1 -11 10 15 o 42.99245 3.752392  0.9249535      7.504784 
1 1 1 -11 10 16 o 115.4568 2.325707  -1.974503      4.651415 
1 1 1 -11 10 17 o 74.93726 2.450698  -0.8002777     4.901395 
1 1 1 -11 10 18 o 100.8888 2.388030  -6.736977      4.776061 
1 1 1 -11 10 19 o 65.02397 2.602814  -1.750923      5.205628 
1 1 1 -11 10 20 o 49.65053 3.217030  7.229919       6.434060 
1 1 1 -11 10 21 o 87.06044 3.063458  8.477638       6.126917 
1 1 1 -11 10 22 o 93.21799 4.238390  ?              ?        
1 1 1 -11 10 23 o 61.94746 3.544248  -10.50360      7.088496 
1 1 1 -11 10 24 f 21.70334 5.474572  6.451984       10.94914 
1 1 1 -11 10 25 o 61.69933 3.308868  -9.511093      6.617736 
1 1 1 -11 10 26 o 34.23002 4.925023  6.024458       9.850045 
1 1 1 -11 10 27 o 22.98521 5.269496  0.9124928      10.53899 
1 1 1 -11 10 28 o 33.48626 4.603388  -1.072639      9.206777 
1 1 1 -11 10 29 o 28.96302 4.641175  6.089180       9.282350 
1 1 1 -11 10 30 o 25.98392 5.421728  4.126474       10.84346 
1 1 1 -11 10 31 o 20.83443 5.046284  -9.241268      10.09257 
1 1 1 -11 10 32 o 18.28204 4.321974  7.606273       8.643948 
1 1 1 -11 10 33 o 19.10064 4.363397  -15.08716      8.726793 
1 1 1 -11 10 34 o 27.42365 4.085311  -25.82510      8.170623 
1 1 1 -11 11 1  o 96.19001 3.177415  3.654587       6.354830 
1 1 1 -11 11 2  o 53.77965 3.959136  5.025764       7.918271 
1 1 1 -11 11 3  o 110.5835 3.152679  -0.9082642     6.305357 
1 1 1 -11 11 4  o 169.4046 3.035523  8.835968       6.071046 
1 1 1 -11 11 5  o 92.35866 3.266500  6.121552       6.533001 
1 1 1 -11 11 6  o 107.7256 2.960318  -2.655373      5.920636 
1 1 1 -11 11 7  o 39.06206 4.711754  -1.746254      9.423508 
1 1 1 -11 11 8  o 32.83322 5.944093  18.46682       11.88819 
1 1 1 -11 11 9  o 25.99481 5.321149  19.89867       10.64230 
1 1 1 -11 11 10 o 18.88935 5.472652  5.499115       10.94530 
1 1 1 -11 11 11 o 107.3558 4.260472  ?              ?        
1 1 1 -11 11 12 o 127.8812 2.857713  -1.397667      5.715425 
1 1 1 -11 11 13 o 68.82225 3.082916  3.624290       6.165832 
1 1 1 -11 11 14 o 126.4453 2.911742  3.919777       5.823483 
1 1 1 -11 11 15 f 59.26397 3.333243  4.507896       6.666485 
1 1 1 -11 11 16 o 86.67151 2.503788  3.031609       5.007576 
1 1 1 -11 11 17 o 73.81302 2.705515  -6.180275      5.411031 
1 1 1 -11 11 18 o 79.52863 2.529847  -0.6219406     5.059695 
1 1 1 -11 11 19 o 52.94145 3.485905  0.5198784      6.971810 
1 1 1 -11 11 20 o 72.49081 2.848319  -7.009689      5.696637 
1 1 1 -11 11 21 o 26.05817 6.245729  8.747219       12.49146 
1 1 1 -11 11 22 o 46.37309 4.753949  -1.084801      9.507897 
1 1 1 -11 11 23 o 22.03951 5.385345  0.5999756      10.77069 
1 1 1 -11 11 24 o 54.47873 3.779177  8.304199       7.558354 
1 1 1 -11 11 25 o 33.99421 4.752498  -19.31611      9.504995 
1 1 1 -11 11 26 o 91.19765 2.775906  5.802483       5.551812 
1 1 1 -11 11 27 o 26.54234 4.498125  -15.99641      8.996250 
1 1 1 -11 11 28 o 31.14412 4.689670  -7.435787      9.379340 
1 1 1 -11 11 29 o 40.38372 3.463944  -3.853462      6.927887 
1 1 1 -11 11 30 o 20.54821 4.277890  -11.90582      8.555780 
1 1 1 -11 11 31 o 13.74458 4.074435  -5.765930      8.148870 
1 1 1 -11 11 32 o 10.86322 3.642752  -2.986275      7.285504 
1 1 1 -11 11 33 o 20.48944 4.425390  -15.23268      8.850780 
1 1 1 -11 11 34 o 33.60103 3.927255  -16.94436      7.854510 
1 1 1 -11 12 1  o 122.4061 3.148824  -5.359711      6.297647 
1 1 1 -11 12 2  o 184.4232 3.514656  11.20427       7.029312 
1 1 1 -11 12 3  o 91.10104 3.304189  -1.715340      6.608377 
1 1 1 -11 12 4  o 143.5930 2.951092  -3.156616      5.902183 
1 1 1 -11 12 5  o 48.00704 4.311328  -15.18318      8.622656 
1 1 1 -11 12 6  o 108.0188 3.598966  1.358780       7.197931 
1 1 1 -11 12 7  o 192.3414 3.757401  -3.317902      7.514802 
1 1 1 -11 12 8  o 35.60723 5.140469  -5.926647      10.28094 
1 1 1 -11 12 9  o 45.80696 4.815585  18.03877       9.631169 
1 1 1 -11 12 10 o 157.5604 3.365142  ?              ?        
1 1 1 -11 12 11 o 56.40371 3.673774  3.053329       7.347548 
1 1 1 -11 12 12 o 92.81682 2.981544  -10.68241      5.963088 
1 1 1 -11 12 13 o 86.26833 3.144342  -3.676208      6.288685 
1 1 1 -11 12 14 o 41.90449 4.042054  -1.233471      8.084107 
1 1 1 -11 12 15 o 106.4047 3.322982  0.7300949      6.645965 
1 1 1 -11 12 16 o 72.63206 3.173013  -2.640381      6.346025 
1 1 1 -11 12 17 o 166.3480 3.171568  3.073685       6.343135 
1 1 1 -11 12 18 o 71.20104 3.625372  -1.922913      7.250744 
1 1 1 -11 12 19 o 67.71828 2.865187  -1.634171      5.730373 
1 1 1 -11 12 20 o 23.24938 5.487425  -5.390368      10.97485 
1 1 1 -11 12 21 o 36.00533 5.495513  -9.040974      10.99103 
1 1 1 -11 12 22 o 27.16761 4.880013  -13.21482      9.760026 
1 1 1 -11 12 23 o 35.99401 4.704527  9.678406       9.409054 
1 1 1 -11 12 24 o 113.5007 3.002574  3.692818       6.005148 
1 1 1 -11 12 25 f 50.15582 3.926474  -3.474445      7.852948 
1 1 1 -11 12 26 o 52.99420 3.623904  -7.268970      7.247808 
1 1 1 -11 12 27 o 20.95970 5.177679  -5.707220      10.35536 
1 1 1 -11 12 28 o 15.26377 4.572057  1.270196       9.144114 
1 1 1 -11 12 29 o 48.33756 3.114899  -6.172787      6.229798 
1 1 1 -11 12 30 o 34.02500 3.829348  -15.04400      7.658696 
1 1 1 -11 12 31 o 39.50566 3.579006  -17.77985      7.158012 
1 1 1 -11 12 32 o 19.31643 4.744195  -4.752636      9.488389 
1 1 1 -11 12 33 o 17.79225 4.364538  -13.92843      8.729076 
1 1 1 -11 13 1  o 228.1599 3.898812  2.785416       7.797624 
1 1 1 -11 13 2  o 71.99454 3.484618  9.868004       6.969237 
1 1 1 -11 13 3  o 196.6985 3.675041  3.431244       7.350082 
1 1 1 -11 13 4  o 131.9292 3.686814  -6.583649      7.373628 
1 1 1 -11 13 5  o 80.19299 3.150351  6.938095       6.300701 
1 1 1 -11 13 6  o 156.2111 3.446035  3.710068       6.892069 
1 1 1 -11 13 7  o 83.81071 3.653550  14.63502       7.307099 
1 1 1 -11 13 8  o 42.11728 4.863799  ?              ?        
1 1 1 -11 13 9  o 137.3084 3.024453  0.1671295      6.048906 
1 1 1 -11 13 10 o 82.11861 3.094347  0.9983444      6.188693 
1 1 1 -11 13 11 o 60.59516 3.497764  -2.270065      6.995529 
1 1 1 -11 13 12 o 150.9012 3.033174  -1.744659      6.066348 
1 1 1 -11 13 13 o 104.7150 3.032202  -2.129227      6.064405 
1 1 1 -11 13 14 o 53.38328 3.565744  4.897057       7.131489 
1 1 1 -11 13 15 o 77.78893 3.846175  -15.05439      7.692350 
1 1 1 -11 13 16 o 175.8859 3.738605  -2.878693      7.477211 
1 1 1 -11 13 17 f 71.39382 3.454712  -3.774353      6.909424 
1 1 1 -11 13 18 o 65.18297 3.667057  0.1008987      7.334114 
1 1 1 -11 13 19 o 82.46482 4.912219  ?              ?        
1 1 1 -11 13 20 o 39.03385 5.327065  -6.479622      10.65413 
1 1 1 -11 13 21 o 124.4761 3.258412  3.218895       6.516823 
1 1 1 -11 13 22 o 48.17600 4.747188  -1.604729      9.494375 
1 1 1 -11 13 23 o 15.50409 4.938052  3.391716       9.876103 
1 1 1 -11 13 24 o 28.24856 5.467336  -15.73916      10.93467 
1 1 1 -11 13 25 o 39.79519 4.680111  -11.64360      9.360222 
1 1 1 -11 13 26 o 41.41761 4.777525  -16.50962      9.555051 
1 1 1 -11 13 27 o 54.07367 3.610958  -20.06186      7.221916 
1 1 1 -11 13 28 o 22.52338 4.997436  3.304245       9.994872 
1 1 1 -11 13 29 o 15.65095 4.474676  -1.507655      8.949351 
1 1 1 -11 13 30 o 18.22972 4.394412  -7.952640      8.788823 
1 1 1 -11 13 31 o 49.67812 4.157533  ?              ?        
1 1 1 -11 13 32 o 18.13137 4.517110  -3.600712      9.034221 
1 1 1 -11 13 33 o 21.46470 5.511483  -19.62989      11.02297 
1 1 1 -11 14 1  o 69.64421 5.062118  ?              ?        
1 1 1 -11 14 2  o 58.92797 5.799527  ?              ?        
1 1 1 -11 14 3  o 60.22978 3.815082  -2.118626      7.630165 
1 1 1 -11 14 4  o 193.3649 3.693445  0.7901154      7.386891 
1 1 1 -11 14 5  f 56.05022 4.408224  ?              ?        
1 1 1 -11 14 6  o 52.85190 3.741321  0.6595612E-01  7.482642 
1 1 1 -11 14 7  o 65.42592 3.482119  -11.62218      6.964239 
1 1 1 -11 14 8  o 68.56361 3.267895  1.678284       6.535790 
1 1 1 -11 14 9  o 109.6824 2.987840  0.1030884      5.975681 
1 1 1 -11 14 10 o 124.5503 3.003783  -0.3161774     6.007566 
1 1 1 -11 14 11 o 116.3964 3.020534  -0.5222015     6.041067 
1 1 1 -11 14 12 o 83.51977 3.212268  -6.407532      6.424536 
1 1 1 -11 14 13 o 113.2370 2.994733  -1.993362      5.989466 
1 1 1 -11 14 14 f 67.02060 3.479166  -8.501282      6.958332 
1 1 1 -11 14 15 o 85.66432 3.820974  -9.010429      7.641948 
1 1 1 -11 14 16 o 52.27758 4.126585  -2.407738      8.253169 
1 1 1 -11 14 17 o 116.8812 3.372918  ?              ?        
1 1 1 -11 14 18 o 133.8029 3.683379  -0.5430450     7.366757 
1 1 1 -11 14 19 o 122.9192 3.329367  1.823242       6.658734 
1 1 1 -11 14 20 o 71.55220 3.826027  -1.070366      7.652054 
1 1 1 -11 14 21 o 31.60416 6.467515  0.9199677      12.93503 
1 1 1 -11 14 22 f 47.27015 5.395111  -2.975365      10.79022 
1 1 1 -11 14 23 o 69.66389 3.889732  4.786301       7.779464 
1 1 1 -11 14 24 o 26.88657 8.631232  ?              ?        
1 1 1 -11 14 25 o 79.69283 3.511308  0.7212524      7.022617 
1 1 1 -11 14 26 o 37.28629 5.074717  -0.1525879E-04 10.14943 
1 1 1 -11 14 27 o 41.83182 4.485728  -9.587730      8.971456 
1 1 1 -11 14 28 o 22.81401 4.943713  -7.753233      9.887426 
1 1 1 -11 14 29 o 16.18346 4.700844  3.197966       9.401688 
1 1 1 -11 14 30 o 65.35986 2.720502  -22.09166      5.441004 
1 1 1 -11 14 31 o 15.43350 4.330952  -7.891356      8.661904 
1 1 1 -11 14 32 o 36.13320 4.587003  -17.16504      9.174006 
1 1 1 -11 15 1  o 58.51611 3.733720  1.856556       7.467441 
1 1 1 -11 15 2  o 71.84689 4.843305  ?              ?        
1 1 1 -11 15 3  o 29.49935 5.496355  -13.67092      10.99271 
1 1 1 -11 15 4  o 28.91338 5.653218  -0.3933945     11.30644 
1 1 1 -11 15 5  o 125.0227 3.386608  0.6141663E-01  6.773216 
1 1 1 -11 15 6  o 57.64688 3.598412  1.369022       7.196823 
1 1 1 -11 15 7  o 145.2395 3.078069  -11.16280      6.156138 
1 1 1 -11 15 8  o 102.9715 3.037442  -4.161407      6.074884 
1 1 1 -11 15 9  o 39.80652 4.404285  14.35835       8.808571 
1 1 1 -11 15 10 o 90.23648 3.212754  -4.046364      6.425509 
1 1 1 -11 15 11 o 87.68002 3.188115  7.215546       6.376230 
1 1 1 -11 15 12 o 129.1154 3.187901  0.9375000      6.375801 
1 1 1 -11 15 13 o 139.4164 3.679538  -5.365234      7.359077 
1 1 1 -11 15 14 o 128.2761 3.234684  0.1698761      6.469368 
1 1 1 -11 15 15 o 97.67918 3.904511  -3.985229      7.809022 
1 1 1 -11 15 16 x ?        ?         ?              ?        
1 1 1 -11 15 17 o 59.96871 4.275206  -9.077995      8.550411 
1 1 1 -11 15 18 o 73.30330 3.913204  -7.345535      7.826408 
1 1 1 -11 15 19 o 54.62202 4.549227  4.666363       9.098454 
1 1 1 -11 15 20 o 65.56572 4.275547  -6.948097      8.551093 
1 1 1 -11 15 21 o 42.38801 6.023074  -12.49599      12.04615 
1 1 1 -11 15 22 o 25.99894 5.969409  -7.906485      11.93882 
1 1 1 -11 15 23 o 35.37191 6.509556  11.70520       13.01911 
1 1 1 -11 15 24 o 72.93411 4.819794  ?              ?        
1 1 1 -11 15 25 o 23.71961 6.869736  ?              ?        
1 1 1 -11 15 26 o 44.09433 4.973277  6.754642       9.946553 
1 1 1 -11 15 27 o 16.27829 4.829851  -3.318206      9.659701 
1 1 1 -11 15 28 o 25.29509 4.798478  -9.553799      9.596955 
1 1 1 -11 15 29 o 42.21693 4.000811  -30.14772      8.001621 
1 1 1 -11 15 30 o 23.23695 4.022333  -17.67909      8.044665 
1 1 1 -11 15 31 o 12.80413 4.294905  -2.513068      8.589809 
1 1 1 -11 15 32 o 9.974773 3.498757  -0.8692856     6.997514 
1 1 1 -11 16 1  o 54.99501 3.980976  12.73440       7.961951 
1 1 1 -11 16 2  o 135.6231 3.343413  -3.424408      6.686826 
1 1 1 -11 16 3  o 32.65219 5.131544  22.08706       10.26309 
1 1 1 -11 16 4  o 97.55794 3.400855  -2.126564      6.801711 
1 1 1 -11 16 5  o 124.6675 3.427311  -6.898346      6.854622 
1 1 1 -11 16 6  x ?        ?         ?              ?        
1 1 1 -11 16 7  o 115.4869 3.076192  -14.32864      6.152384 
1 1 1 -11 16 8  o 48.49710 4.110568  -2.217697      8.221136 
1 1 1 -11 16 9  o 136.3851 3.204500  -7.694260      6.409000 
1 1 1 -11 16 10 o 134.6976 3.222934  -2.014481      6.445869 
1 1 1 -11 16 11 o 67.31458 4.458359  -4.565941      8.916718 
1 1 1 -11 16 12 o 175.7511 3.409457  -9.651733      6.818914 
1 1 1 -11 16 13 o 20.56251 5.460978  -4.383083      10.92196 
1 1 1 -11 16 14 x ?        ?         ?              ?        
1 1 1 -11 16 15 o 30.50175 6.696336  10.47887       13.39267 
1 1 1 -11 16 16 o 74.69506 4.475724  -3.019104      8.951447 
1 1 1 -11 16 17 o 38.25150 5.397715  24.76853       10.79543 
1 1 1 -11 16 18 o 94.32063 3.762236  -6.316986      7.524471 
1 1 1 -11 16 19 o 131.3443 3.556841  -3.158417      7.113681 
1 1 1 -11 16 20 o 18.80109 5.629491  0.9550285E-01  11.25898 
1 1 1 -11 16 21 o 86.42071 4.258441  -9.805481      8.516882 
1 1 1 -11 16 22 f 72.92652 4.515053  -3.153778      9.030106 
1 1 1 -11 16 23 o 76.09410 4.009339  -11.68211      8.018679 
1 1 1 -11 16 24 o 55.55819 5.673471  ?              ?        
1 1 1 -11 16 25 o 91.36349 3.881774  -13.94006      7.763548 
1 1 1 -11 16 26 o 41.41452 4.681256  -10.14229      9.362512 
1 1 1 -11 16 27 o 32.78804 4.813682  -4.932076      9.627363 
1 1 1 -11 16 28 o 33.40521 4.425403  -9.367237      8.850805 
1 1 1 -11 16 29 o 21.86748 7.095896  ?              ?        
1 1 1 -11 16 30 o 36.37394 4.895792  -18.56270      9.791585 
1 1 1 -11 16 31 o 18.44725 5.123924  2.307926       10.24785 
1 1 1 -11 17 1  o 68.72256 3.663967  0.1069031      7.327933 
1 1 1 -11 17 2  o 84.42880 3.597589  0.7426987      7.195177 
1 1 1 -11 17 3  o 37.16003 5.288121  -18.31112      10.57624 
1 1 1 -11 17 4  o 94.08412 3.550919  9.936920       7.101839 
1 1 1 -11 17 5  o 70.20346 4.006901  -6.851387      8.013802 
1 1 1 -11 17 6  x ?        ?         ?              ?        
1 1 1 -11 17 7  o 37.55869 5.765129  -16.34037      11.53026 
1 1 1 -11 17 8  o 48.23773 5.546637  -4.095348      11.09327 
1 1 1 -11 17 9  o 32.78920 6.808798  -6.612343      13.61760 
1 1 1 -11 17 10 o 90.64213 3.434902  6.769531       6.869803 
1 1 1 -11 17 11 o 97.31693 3.920078  -6.008598      7.840156 
1 1 1 -11 17 12 o 85.83910 6.323579  ?              ?        
1 1 1 -11 17 13 o 82.97345 4.497305  6.978630       8.994611 
1 1 1 -11 17 14 o 77.21308 4.507225  -17.89726      9.014450 
1 1 1 -11 17 15 o 32.98769 6.979812  -4.224436      13.95962 
1 1 1 -11 17 16 o 72.75935 4.937851  -24.21502      9.875703 
1 1 1 -11 17 17 o 91.79704 3.867754  0.4727936      7.735508 
1 1 1 -11 17 18 o 74.65678 4.153631  -2.580788      8.307262 
1 1 1 -11 17 19 o 27.97542 5.856134  -13.78277      11.71227 
1 1 1 -11 17 20 o 66.17091 4.839136  0.7015305      9.678272 
1 1 1 -11 17 21 o 41.77776 6.011687  31.10115       12.02337 
1 1 1 -11 17 22 o 13.16464 6.018665  ?              ?        
1 1 1 -11 17 23 o 26.45707 6.504868  8.872705       13.00974 
1 1 1 -11 17 24 o 97.35944 4.792447  ?              ?        
1 1 1 -11 17 25 o 19.29965 5.088527  -0.4612141     10.17705 
1 1 1 -11 17 26 o 18.36203 4.926919  4.480251       9.853838 
1 1 1 -11 17 27 o 21.47990 4.656603  -8.446405      9.313206 
1 1 1 -11 17 28 o 13.11665 4.073375  6.533148       8.146749 
1 1 1 -11 17 29 o 15.82859 4.828025  -2.510099      9.656050 
1 1 1 -11 17 30 o 13.20237 4.332993  -3.367573      8.665986 
1 1 1 -11 18 1  o 138.4613 3.597661  -6.288422      7.195323 
1 1 1 -11 18 2  o 26.22372 5.820801  9.846380       11.64160 
1 1 1 -11 18 3  o 128.9868 3.578833  8.772865       7.157665 
1 1 1 -11 18 4  o 74.57712 3.870282  -1.069572      7.740564 
1 1 1 -11 18 5  o 91.08054 5.472730  ?              ?        
1 1 1 -11 18 6  o 89.27434 5.562100  ?              ?        
1 1 1 -11 18 7  o 127.2469 3.712411  -12.87125      7.424823 
1 1 1 -11 18 8  f 22.91261 6.282172  4.419991       12.56434 
1 1 1 -11 18 9  o 78.37744 4.182779  ?              ?        
1 1 1 -11 18 10 o 37.87941 5.841211  12.21667       11.68242 
1 1 1 -11 18 11 o 95.17834 3.611286  2.468361       7.222572 
1 1 1 -11 18 12 o 91.35541 4.365674  -1.610191      8.731349 
1 1 1 -11 18 13 o 62.86178 5.412323  9.260773       10.82465 
1 1 1 -11 18 14 o 89.27847 4.598058  6.133026       9.196115 
1 1 1 -11 18 15 o 120.1182 4.279243  -1.312874      8.558487 
1 1 1 -11 18 16 o 59.15816 5.351388  3.844852       10.70278 
1 1 1 -11 18 17 f 51.16802 5.972221  -8.315624      11.94444 
1 1 1 -11 18 18 o 28.16846 7.116766  -2.932869      14.23353 
1 1 1 -11 18 19 o 21.46494 5.605447  -9.839537      11.21089 
1 1 1 -11 18 20 o 61.77203 4.416355  -13.43873      8.832710 
1 1 1 -11 18 21 f 15.97760 6.951580  ?              ?        
1 1 1 -11 18 22 o 29.79971 6.587952  13.15047       13.17590 
1 1 1 -11 18 23 o 15.49633 4.902895  2.540293       9.805791 
1 1 1 -11 18 24 o 16.27760 7.179664  ?              ?        
1 1 1 -11 18 25 o 18.76476 5.021675  -0.4308376     10.04335 
1 1 1 -11 18 26 o 13.44773 4.185150  0.5481653      8.370299 
1 1 1 -11 18 27 o 15.53182 4.803871  -5.763273      9.607741 
1 1 1 -11 18 28 o 20.87152 5.514241  -5.479891      11.02848 
1 1 1 -11 18 29 o 21.87707 8.010265  ?              ?        
1 1 1 -11 19 1  f 189.5812 5.618304  ?              ?        
1 1 1 -11 19 2  o 36.32454 8.435187  ?              ?        
1 1 1 -11 19 3  o 45.97693 5.546280  2.114380       11.09256 
1 1 1 -11 19 4  o 50.30120 5.331259  12.76369       10.66252 
1 1 1 -11 19 5  o 54.90191 4.642186  9.189339       9.284372 
1 1 1 -11 19 6  o 109.2945 5.443720  ?              ?        
1 1 1 -11 19 7  o 107.6456 3.947714  -3.055145      7.895428 
1 1 1 -11 19 8  f 63.34808 4.743400  6.957840       9.486799 
1 1 1 -11 19 9  o 56.38790 4.510866  14.09345       9.021731 
1 1 1 -11 19 10 o 83.69455 3.842051  7.110420       7.684102 
1 1 1 -11 19 11 o 64.18120 4.689716  -14.34526      9.379432 
1 1 1 -11 19 12 o 55.90905 6.232722  16.82729       12.46544 
1 1 1 -11 19 13 o 26.52283 7.088260  -9.290712      14.17652 
1 1 1 -11 19 14 o 169.9393 4.268289  8.740570       8.536577 
1 1 1 -11 19 15 o 36.81934 7.191427  16.50943       14.38285 
1 1 1 -11 19 16 o 28.25268 7.318268  1.468803       14.63654 
1 1 1 -11 19 17 o 26.32586 7.125374  3.988363       14.25075 
1 1 1 -11 19 18 o 63.47476 4.646160  -15.52195      9.292319 
1 1 1 -11 19 19 o 39.61947 6.195933  ?              ?        
1 1 1 -11 19 20 o 51.53169 5.220404  -15.24769      10.44081 
1 1 1 -11 19 21 o 59.69128 4.041244  -0.2947617E-01 8.082488 
1 1 1 -11 19 22 o 36.33118 5.214056  -18.47808      10.42811 
1 1 1 -11 19 23 o 24.67233 4.920015  -9.161255      9.840031 
1 1 1 -11 19 24 o 15.18880 6.414785  ?              ?        
1 1 1 -11 19 25 o 13.59032 4.205509  5.492957       8.411017 
1 1 1 -11 19 26 o 30.22098 5.461882  -13.22737      10.92376 
1 1 1 -11 19 27 o 13.88408 4.477582  0.1955185      8.955165 
1 1 1 -11 19 28 o 26.56216 8.610064  ?              ?        
1 1 1 -11 20 1  o 85.12662 4.092439  3.387474       8.184877 
1 1 1 -11 20 2  o 58.43999 6.529121  ?              ?        
1 1 1 -11 20 3  o 67.13386 6.750120  ?              ?        
1 1 1 -11 20 4  o 61.09478 4.964452  -8.972954      9.928904 
1 1 1 -11 20 5  f 85.40175 4.215544  0.4731216      8.431087 
1 1 1 -11 20 6  o 59.95908 4.846092  8.347610       9.692184 
1 1 1 -11 20 7  o 115.1860 3.960253  -4.543480      7.920505 
1 1 1 -11 20 8  o 34.47654 6.709790  3.918694       13.41958 
1 1 1 -11 20 9  o 65.50278 4.223003  4.937523       8.446006 
1 1 1 -11 20 10 o 76.67327 4.113287  4.179962       8.226574 
1 1 1 -11 20 11 o 49.18567 5.855731  -19.95459      11.71146 
1 1 1 -11 20 12 o 58.70188 5.827281  -2.375114      11.65456 
1 1 1 -11 20 13 o 63.41192 5.736955  -6.108269      11.47391 
1 1 1 -11 20 14 o 46.41964 6.900877  16.20520       13.80175 
1 1 1 -11 20 15 o 33.26406 6.997003  -18.63171      13.99401 
1 1 1 -11 20 16 o 22.70155 6.462986  -10.46176      12.92597 
1 1 1 -11 20 17 x ?        ?         ?              ?        
1 1 1 -11 20 18 o 23.01862 5.097721  -16.23421      10.19544 
1 1 1 -11 20 19 o 36.31270 5.741854  -5.884838      11.48371 
1 1 1 -11 20 20 o 34.22160 5.533935  9.527361       11.06787 
1 1 1 -11 20 21 o 26.31635 5.395415  0.9993534      10.79083 
1 1 1 -11 20 22 f 15.07874 4.656148  3.013190       9.312297 
1 1 1 -11 20 23 o 13.35032 4.199607  0.5742197      8.399214 
1 1 1 -11 20 24 o 17.98693 7.409313  ?              ?        
1 1 1 -11 20 25 o 28.79645 5.362022  -16.18395      10.72404 
1 1 1 -11 20 26 o 25.07179 8.703335  ?              ?        
1 1 1 -11 20 27 x ?        ?         ?              ?        
1 1 1 -11 21 1  o 33.96840 9.494351  ?              ?        
1 1 1 -11 21 2  o 41.92801 6.282572  7.846169       12.56514 
1 1 1 -11 21 3  o 82.29483 4.320329  0.9130173      8.640658 
1 1 1 -11 21 4  o 130.0921 3.887462  -6.643303      7.774923 
1 1 1 -11 21 5  o 47.63272 6.140501  4.166443       12.28100 
1 1 1 -11 21 6  o 101.5353 4.141529  1.536903       8.283058 
1 1 1 -11 21 7  o 91.14783 4.386907  -6.825905      8.773814 
1 1 1 -11 21 8  o 92.12756 4.319272  8.437752       8.638543 
1 1 1 -11 21 9  o 49.60217 5.734680  0.1130981      11.46936 
1 1 1 -11 21 10 o 35.35578 6.770219  7.861795       13.54044 
1 1 1 -11 21 11 o 114.0520 4.502327  -19.42021      9.004655 
1 1 1 -11 21 12 o 51.61723 6.795899  -3.683090      13.59180 
1 1 1 -11 21 13 o 88.29513 4.734816  7.547409       9.469632 
1 1 1 -11 21 14 x ?        ?         ?              ?        
1 1 1 -11 21 15 o 14.71082 7.077263  ?              ?        
1 1 1 -11 21 16 o 28.70477 6.810269  2.525127       13.62054 
1 1 1 -11 21 17 o 21.19395 6.202931  0.8864651      12.40586 
1 1 1 -11 21 18 o 39.43583 5.195974  -15.59461      10.39195 
1 1 1 -11 21 19 o 25.81450 5.647108  -4.457499      11.29422 
1 1 1 -11 21 20 o 29.26751 5.042681  -11.98081      10.08536 
1 1 1 -11 21 21 o 18.28050 5.074953  3.960363       10.14991 
1 1 1 -11 21 22 o 22.69014 5.448280  5.943884       10.89656 
1 1 1 -11 21 23 o 12.21635 4.110474  -1.038329      8.220948 
1 1 1 -11 21 24 o 10.78978 5.370165  ?              ?        
1 1 1 -11 21 25 o 10.09096 5.077533  ?              ?        
1 1 1 -11 21 26 x ?        ?         ?              ?        
1 1 1 -11 22 1  o 30.65133 9.576791  ?              ?        
1 1 1 -11 22 2  o 37.32406 9.877942  ?              ?        
1 1 1 -11 22 3  o 83.30728 4.361866  -0.4656143     8.723733 
1 1 1 -11 22 4  f 49.69425 5.738413  -8.263100      11.47683 
1 1 1 -11 22 5  o 57.75140 5.039845  -10.24592      10.07969 
1 1 1 -11 22 6  o 21.45730 6.252929  -2.007971      12.50586 
1 1 1 -11 22 7  x ?        ?         ?              ?        
1 1 1 -11 22 8  o 25.22595 9.258168  ?              ?        
1 1 1 -11 22 9  o 95.26666 5.976739  ?              ?        
1 1 1 -11 22 10 o 70.86707 4.222113  -4.637421      8.444226 
1 1 1 -11 22 11 o 56.44245 5.592662  20.37525       11.18532 
1 1 1 -11 22 12 x ?        ?         ?              ?        
1 1 1 -11 22 13 o 48.59973 5.836230  -6.494267      11.67246 
1 1 1 -11 22 14 o 26.20935 6.299655  -14.79955      12.59931 
1 1 1 -11 22 15 o 79.60486 4.340551  9.114609       8.681103 
1 1 1 -11 22 16 o 27.40759 6.611356  -7.615318      13.22271 
1 1 1 -11 22 17 o 25.48132 6.355081  -5.028362      12.71016 
1 1 1 -11 22 18 o 38.45486 5.478704  -12.77888      10.95741 
1 1 1 -11 22 19 o 21.35373 5.007820  -8.678566      10.01564 
1 1 1 -11 22 20 o 14.94461 4.752592  -3.472766      9.505184 
1 1 1 -11 22 21 o 38.36637 5.008348  -14.56088      10.01670 
1 1 1 -11 22 22 o 13.43862 4.434901  -4.909330      8.869802 
1 1 1 -11 22 23 o 16.39905 7.156477  ?              ?        
1 1 1 -11 22 24 x ?        ?         ?              ?        
1 1 1 -11 23 1  o 30.30266 9.663186  ?              ?        
1 1 1 -11 23 2  o 63.81714 6.930263  ?              ?        
1 1 1 -11 23 3  o 37.26537 9.803905  ?              ?        
1 1 1 -11 23 4  o 25.93377 9.374959  ?              ?        
1 1 1 -11 23 5  o 38.69533 8.764918  ?              ?        
1 1 1 -11 23 6  o 19.75245 6.019506  1.018423       12.03901 
1 1 1 -11 23 7  o 36.07502 10.07623  ?              ?        
1 1 1 -11 23 8  o 28.78164 9.358940  ?              ?        
1 1 1 -11 23 9  o 42.33689 8.507386  ?              ?        
1 1 1 -11 23 10 o 30.41337 5.580319  -25.35453      11.16064 
1 1 1 -11 23 11 o 19.45124 5.579351  3.953770       11.15870 
1 1 1 -11 23 12 o 20.27709 5.829341  -3.554428      11.65868 
1 1 1 -11 23 13 o 35.90984 6.297408  -5.639450      12.59482 
1 1 1 -11 23 14 o 34.39804 6.456208  -1.636978      12.91242 
1 1 1 -11 23 15 o 61.94801 4.576782  2.713272       9.153564 
1 1 1 -11 23 16 o 49.08068 4.798878  -0.2012901     9.597755 
1 1 1 -11 23 17 o 34.47692 5.916556  -14.54499      11.83311 
1 1 1 -11 23 18 o 15.66850 4.750792  5.578147       9.501583 
1 1 1 -11 23 19 o 12.72101 4.294584  -5.768806      8.589168 
1 1 1 -11 23 20 x ?        ?         ?              ?        
1 1 1 -11 23 21 x ?        ?         ?              ?        
1 1 1 -11 23 22 x ?        ?         ?              ?        
1 1 1 -11 23 23 x ?        ?         ?              ?        
1 1 1 -11 24 1  o 28.67665 8.785919  ?              ?        
1 1 1 -11 24 2  o 60.52090 6.749588  ?              ?        
1 1 1 -11 24 3  o 24.95260 9.034899  ?              ?        
1 1 1 -11 24 4  o 54.48703 6.679882  ?              ?        
1 1 1 -11 24 5  o 54.29859 6.912450  ?              ?        
1 1 1 -11 24 6  o 31.46170 6.318080  -13.48711      12.63616 
1 1 1 -11 24 7  o 40.08670 5.843235  9.024300       11.68647 
1 1 1 -11 24 8  o 32.45309 6.257441  -8.625429      12.51488 
1 1 1 -11 24 9  o 17.13646 5.030555  12.68949       10.06111 
1 1 1 -11 24 10 o 49.86210 4.467362  -1.289425      8.934725 
1 1 1 -11 24 11 o 16.63644 4.842425  -2.714486      9.684851 
1 1 1 -11 24 12 o 18.60804 5.569119  -2.723448      11.13824 
1 1 1 -11 24 13 o 26.01760 5.781981  7.109674       11.56396 
1 1 1 -11 24 14 o 34.13137 6.044894  -9.087408      12.08979 
1 1 1 -11 24 15 o 19.63899 5.442092  -10.95691      10.88418 
1 1 1 -11 24 16 o 29.33829 5.696246  1.440378       11.39249 
1 1 1 -11 24 17 o 16.26056 4.940567  -9.025103      9.881133 
1 1 1 -11 24 18 o 18.70101 7.942167  ?              ?        
1 1 1 -11 24 19 x ?        ?         ?              ?        
1 1 1 -11 24 20 x ?        ?         ?              ?        
1 1 1 -11 24 21 x ?        ?         ?              ?        
1 1 1 -11 25 1  o 32.62992 7.655026  ?              ?        
1 1 1 -11 25 2  o 15.24496 6.706078  ?              ?        
1 1 1 -11 25 3  o 51.32661 5.937893  ?              ?        
1 1 1 -11 25 4  o 17.71308 7.423645  ?              ?        
1 1 1 -11 25 5  o 48.26537 6.449871  ?              ?        
1 1 1 -11 25 6  o 61.78491 4.133286  -2.907043      8.266571 
1 1 1 -11 25 7  o 20.32003 5.555119  3.339531       11.11024 
1 1 1 -11 25 8  f 34.42404 5.529641  6.149260       11.05928 
1 1 1 -11 25 9  o 24.85017 5.494191  12.45704       10.98838 
1 1 1 -11 25 10 o 17.89522 5.208629  8.084148       10.41726 
1 1 1 -11 25 11 o 16.32099 4.767837  7.964174       9.535674 
1 1 1 -11 25 12 o 18.47586 4.910782  8.194680       9.821565 
1 1 1 -11 25 13 o 22.63832 5.693193  -0.4178715     11.38639 
1 1 1 -11 25 14 o 15.77713 4.945450  -8.406200      9.890901 
1 1 1 -11 25 15 o 16.21396 7.382008  ?              ?        
1 1 1 -11 25 16 x ?        ?         ?              ?        
1 1 1 -11 25 17 x ?        ?         ?              ?        
1 1 1 -11 25 18 x ?        ?         ?              ?        
1 1 1 -11 25 19 x ?        ?         ?              ?        
1 1 1 -11 26 1  o 28.59540 6.864331  ?              ?        
1 1 1 -11 26 2  o 40.46656 5.463700  ?              ?        
1 1 1 -11 26 3  o 16.63752 6.482871  ?              ?        
1 1 1 -11 26 4  o 21.70419 7.393839  ?              ?        
1 1 1 -11 26 5  o 31.85389 6.847412  ?              ?        
1 1 1 -11 26 6  o 11.36935 5.435323  ?              ?        
1 1 1 -11 26 7  o 23.75733 5.153835  -4.712282      10.30767 
1 1 1 -11 26 8  o 11.74872 3.883949  -4.232904      7.767898 
1 1 1 -11 26 9  o 9.356086 4.622313  ?              ?        
1 1 1 -11 26 10 o 42.77280 5.942088  ?              ?        
1 1 1 -11 26 11 o 9.961072 4.838010  ?              ?        
1 1 1 -11 26 12 x ?        ?         ?              ?        
1 1 1 -11 26 13 x ?        ?         ?              ?        
1 1 1 -11 26 14 x ?        ?         ?              ?        
1 1 1 -11 26 15 x ?        ?         ?              ?        
1 1 1 -11 26 16 x ?        ?         ?              ?        
1 1 1 -11 27 1  o 19.16032 6.947569  ?              ?        
1 1 1 -11 27 2  o 12.76954 5.636905  ?              ?        
1 1 1 -11 27 3  o 25.79315 7.068515  ?              ?        
1 1 1 -11 27 4  x ?        ?         ?              ?        
1 1 1 -11 27 5  x ?        ?         ?              ?        
1 1 1 -11 27 6  x ?        ?         ?              ?        
1 1 1 -11 27 7  x ?        ?         ?              ?        
1 1 1 -11 27 8  x ?        ?         ?              ?        
1 1 1 -11 27 9  x ?        ?         ?              ?        
1 1 1 -11 27 10 x ?        ?         ?              ?        
1 1 1 -11 27 11 x ?        ?         ?              ?        
1 1 1 -11 27 12 x ?        ?         ?              ?        
1 1 1 -11 27 13 x ?        ?         ?              ?        
1 1 1 -11 28 1  x ?        ?         ?              ?        
1 1 1 -11 28 2  x ?        ?         ?              ?        
1 1 1 -11 28 3  x ?        ?         ?              ?        
1 1 1 -11 28 4  x ?        ?         ?              ?        
1 1 1 -11 28 5  x ?        ?         ?              ?        
1 1 1 -11 28 6  x ?        ?         ?              ?        
1 1 1 -11 28 7  x ?        ?         ?              ?        
1 1 1 -11 28 8  x ?        ?         ?              ?        
1 1 1 -11 28 9  x ?        ?         ?              ?        
1 1 1 -10 0  1  o 438.0137 8.286535  -0.000000      0.000000 
1 1 1 -10 0  2  o 74.46163 1.463838  -0.000000      0.000000 
1 1 1 -10 0  3  o 32.91666 1.588997  -0.000000      0.000000 
1 1 1 -10 0  4  o 118.6275 1.851909  -0.000000      0.000000 
1 1 1 -10 0  5  o 58.54609 1.431009  -0.000000      0.000000 
1 1 1 -10 0  6  o 368.7383 4.947400  -0.000000      0.000000 
1 1 1 -10 0  7  o 77.86181 1.521897  -0.000000      0.000000 
1 1 1 -10 0  8  o 165.9058 2.414717  -0.000000      0.000000 
1 1 1 -10 0  9  o 114.7640 1.886430  -0.000000      0.000000 
1 1 1 -10 0  10 o 9.488458 4.713087  -0.000000      0.000000 
1 1 1 -10 0  11 o 604.1016 11.39299  -0.000000      0.000000 
1 1 1 -10 0  12 o 90.56871 2.737431  -0.000000      0.000000 
1 1 1 -10 0  13 o 13.65456 7.340089  -0.000000      0.000000 
1 1 1 -10 0  14 o 260.9338 3.665049  -0.000000      0.000000 
1 1 1 -10 0  15 o 353.4262 4.833581  -0.000000      0.000000 
1 1 1 -10 0  16 o 356.5419 4.892829  -0.000000      0.000000 
1 1 1 -10 0  17 o 78.72233 2.188279  -0.000000      0.000000 
1 1 1 -10 0  18 o 204.4074 4.528753  -0.000000      0.000000 
1 1 1 -10 0  19 o 234.9051 3.443660  -0.000000      0.000000 
1 1 1 -10 0  20 o 131.7638 3.199412  -0.000000      0.000000 
1 1 1 -10 0  21 o 128.5436 2.480477  -0.000000      0.000000 
1 1 1 -10 0  22 x ?        ?         ?              ?        
1 1 1 -10 0  23 o 55.39771 2.615203  -0.000000      0.000000 
1 1 1 -10 0  24 o 102.9248 2.443596  -0.000000      0.000000 
1 1 1 -10 0  25 o 39.62120 3.245508  -0.000000      0.000000 
1 1 1 -10 0  26 o 117.2627 4.108147  -0.000000      0.000000 
1 1 1 -10 0  27 o 65.65926 2.741293  -0.000000      0.000000 
1 1 1 -10 0  28 o 10.35572 6.740459  0.000000       0.000000 
1 1 1 -10 0  29 o 33.36291 4.796344  -0.000000      0.000000 
1 1 1 -10 0  30 o 33.41868 4.788586  -0.000000      0.000000 
1 1 1 -10 0  31 o 34.44230 4.416334  -0.000000      0.000000 
1 1 1 -10 0  32 o 22.61864 7.060165  -0.000000      0.000000 
1 1 1 -10 0  33 o 14.00949 7.342806  -0.000000      0.000000 
1 1 1 -10 0  34 o 10.70903 6.599061  -0.000000      0.000000 
1 1 1 -10 0  35 o 39.98922 7.017736  0.000000       0.000000 
1 1 1 -10 0  36 o 19.55498 7.937822  -0.000000      0.000000 
1 1 1 -10 0  37 f 7.063499 4.992452  -0.000000      0.000000 
1 1 1 -10 1  1  o 100.4901 1.708980  6.445709       3.417959 
1 1 1 -10 1  2  o 102.1539 1.227999  -4.489235      2.455997 
1 1 1 -10 1  3  o 92.15359 1.165076  2.011475       2.330153 
1 1 1 -10 1  4  o 367.3372 3.500388  -9.533722      7.000775 
1 1 1 -10 1  5  o 182.6410 1.856827  -6.333542      3.713655 
1 1 1 -10 1  6  o 256.7521 2.501569  0.6071777      5.003138 
1 1 1 -10 1  7  o 302.7875 2.913850  -0.2582703     5.827701 
1 1 1 -10 1  8  o 133.6460 3.200966  ?              ?        
1 1 1 -10 1  9  o 63.66656 1.150217  -2.576656      2.300434 
1 1 1 -10 1  10 o 307.3008 2.969610  5.121674       5.939221 
1 1 1 -10 1  11 o 122.1049 1.990216  -3.039047      3.980432 
1 1 1 -10 1  12 f 47.05721 2.217536  -8.702240      4.435073 
1 1 1 -10 1  13 o 222.2148 2.787255  -2.893250      5.574509 
1 1 1 -10 1  14 o 332.8202 3.234700  -5.443481      6.469399 
1 1 1 -10 1  15 o 208.1554 2.176567  -2.802231      4.353135 
1 1 1 -10 1  16 o 120.7695 1.624766  -5.650169      3.249533 
1 1 1 -10 1  17 f 106.1859 1.577187  7.105934       3.154373 
1 1 1 -10 1  18 o 29.62474 5.153182  5.740963       10.30636 
1 1 1 -10 1  19 o 84.46205 1.560590  -0.2833557E-01 3.121181 
1 1 1 -10 1  20 o 79.41774 2.006867  3.914696       4.013734 
1 1 1 -10 1  21 o 57.55937 1.763347  7.145889       3.526693 
1 1 1 -10 1  22 o 140.0789 3.885928  ?              ?        
1 1 1 -10 1  23 o 85.47501 1.668381  1.281792       3.336761 
1 1 1 -10 1  24 o 67.15526 1.733484  10.80096       3.466968 
1 1 1 -10 1  25 o 154.3941 2.006011  -0.3620453     4.012021 
1 1 1 -10 1  26 o 19.89455 5.351421  -1.593561      10.70284 
1 1 1 -10 1  27 o 68.95180 1.966438  1.441353       3.932877 
1 1 1 -10 1  28 o 57.28547 2.898145  -11.72205      5.796291 
1 1 1 -10 1  29 o 37.26326 3.085309  -5.188332      6.170618 
1 1 1 -10 1  30 o 29.55167 3.639574  9.503296       7.279148 
1 1 1 -10 1  31 o 21.09262 3.623624  -17.41726      7.247248 
1 1 1 -10 1  32 o 28.39428 3.983228  -1.246655      7.966456 
1 1 1 -10 1  33 o 32.60315 3.609163  -15.87650      7.218326 
1 1 1 -10 1  34 o 13.43304 4.095722  0.3875265      8.191443 
1 1 1 -10 1  35 o 15.33031 4.622096  -6.033699      9.244191 
1 1 1 -10 1  36 o 35.01581 3.425880  -3.716415      6.851760 
1 1 1 -10 1  37 o 12.09298 3.765508  -4.940099      7.531015 
1 1 1 -10 2  1  f 278.2039 3.315434  -10.83640      6.630868 
1 1 1 -10 2  2  f 75.31377 1.226511  5.080734       2.453021 
1 1 1 -10 2  3  o 167.5803 2.187442  -3.842636      4.374883 
1 1 1 -10 2  4  o 297.8983 2.904922  -4.736389      5.809844 
1 1 1 -10 2  5  o 269.5764 2.656008  5.194519       5.312016 
1 1 1 -10 2  6  f 146.6230 1.650046  10.89603       3.300091 
1 1 1 -10 2  7  o 135.8747 1.565942  3.164200       3.131885 
1 1 1 -10 2  8  o 141.6909 2.275856  -3.020569      4.551713 
1 1 1 -10 2  9  o 141.9041 1.628910  6.776520       3.257821 
1 1 1 -10 2  10 o 99.61732 1.399720  -14.44115      2.799441 
1 1 1 -10 2  11 o 145.8855 1.670843  -2.020584      3.341685 
1 1 1 -10 2  12 o 292.0782 4.080101  -8.340210      8.160202 
1 1 1 -10 2  13 o 193.4379 2.486395  -4.342056      4.972791 
1 1 1 -10 2  14 f 369.0886 3.574605  10.53317       7.149210 
1 1 1 -10 2  15 o 174.8265 1.943085  -1.360611      3.886170 
1 1 1 -10 2  16 o 226.1489 2.356654  4.123566       4.713307 
1 1 1 -10 2  17 o 117.8584 1.687983  4.218391       3.375965 
1 1 1 -10 2  18 o 61.29721 1.789606  5.245316       3.579212 
1 1 1 -10 2  19 o 184.4154 2.081321  2.310593       4.162643 
1 1 1 -10 2  20 o 12.04663 3.630065  1.869754       7.260129 
1 1 1 -10 2  21 o 136.5739 1.799112  2.131943       3.598224 
1 1 1 -10 2  22 o 88.23837 2.388954  0.4176178      4.777907 
1 1 1 -10 2  23 o 57.24780 1.824340  -2.519665      3.648679 
1 1 1 -10 2  24 o 60.70451 1.864753  -7.703777      3.729506 
1 1 1 -10 2  25 o 107.2591 1.798338  3.923805       3.596675 
1 1 1 -10 2  26 o 101.1680 2.882089  3.111496       5.764178 
1 1 1 -10 2  27 o 94.78033 1.872941  2.965271       3.745881 
1 1 1 -10 2  28 o 80.46305 2.631094  -4.971558      5.262188 
1 1 1 -10 2  29 o 15.52128 4.039140  -7.275434      8.078280 
1 1 1 -10 2  30 o 17.50983 4.191892  -5.678789      8.383783 
1 1 1 -10 2  31 o 26.03668 3.988008  13.30090       7.976015 
1 1 1 -10 2  32 o 27.51372 3.839427  11.01130       7.678855 
1 1 1 -10 2  33 o 37.42598 3.007560  -0.2829208     6.015121 
1 1 1 -10 2  34 o 28.97435 3.827571  6.329504       7.655142 
1 1 1 -10 2  35 o 27.62739 5.314164  -0.3613758     10.62833 
1 1 1 -10 2  36 o 15.24734 4.283546  -6.201480      8.567093 
1 1 1 -10 2  37 o 34.47846 4.638957  -10.51943      9.277914 
1 1 1 -10 3  1  o 194.8894 2.075937  -0.1065521     4.151875 
1 1 1 -10 3  2  o 35.12479 2.645607  ?              ?        
1 1 1 -10 3  3  o 195.0603 2.963613  -4.819275      5.927225 
1 1 1 -10 3  4  o 81.80394 1.381916  1.681900       2.763832 
1 1 1 -10 3  5  o 177.1685 1.949853  1.435455       3.899707 
1 1 1 -10 3  6  o 351.9360 3.433336  5.997986       6.866672 
1 1 1 -10 3  7  o 163.8344 1.854700  1.940460       3.709400 
1 1 1 -10 3  8  o 175.2209 2.313331  2.331314       4.626663 
1 1 1 -10 3  9  o 279.3546 2.803077  2.887604       5.606155 
1 1 1 -10 3  10 o 284.5020 4.038836  -8.803619      8.077673 
1 1 1 -10 3  11 o 283.5648 2.845105  12.79199       5.690211 
1 1 1 -10 3  12 o 124.2033 2.292749  1.068253       4.585498 
1 1 1 -10 3  13 o 152.5846 2.135368  3.417343       4.270736 
1 1 1 -10 3  14 o 180.1135 2.039256  -1.672455      4.078513 
1 1 1 -10 3  15 o 229.3260 2.425920  10.62901       4.851840 
1 1 1 -10 3  16 o 49.42392 2.213729  -5.778431      4.427457 
1 1 1 -10 3  17 o 211.6087 3.282171  -1.474106      6.564341 
1 1 1 -10 3  18 o 295.0266 2.987818  -2.588318      5.975635 
1 1 1 -10 3  19 o 44.45174 2.879862  -11.53040      5.759724 
1 1 1 -10 3  20 o 18.23835 3.880411  -2.592209      7.760821 
1 1 1 -10 3  21 o 38.72879 2.354433  9.296085       4.708865 
1 1 1 -10 3  22 o 104.2997 2.150679  10.76139       4.301358 
1 1 1 -10 3  23 o 32.82943 2.747875  12.30660       5.495751 
1 1 1 -10 3  24 f 118.0717 1.863781  5.561966       3.727562 
1 1 1 -10 3  25 o 46.72034 2.261855  3.889637       4.523711 
1 1 1 -10 3  26 o 72.55707 2.803962  -3.702660      5.607925 
1 1 1 -10 3  27 o 119.9559 2.001707  0.4836349      4.003415 
1 1 1 -10 3  28 o 19.43987 4.376481  -7.623557      8.752961 
1 1 1 -10 3  29 f 67.80166 2.303122  -13.46594      4.606244 
1 1 1 -10 3  30 o 21.46307 3.843175  -14.60056      7.686350 
1 1 1 -10 3  31 o 20.74548 4.045670  -12.52622      8.091339 
1 1 1 -10 3  32 o 14.81515 4.291398  0.7688894      8.582795 
1 1 1 -10 3  33 o 36.71912 4.353911  11.34220       8.707823 
1 1 1 -10 3  34 o 38.58266 3.399183  -17.00492      6.798366 
1 1 1 -10 3  35 o 13.94715 4.520187  -1.649629      9.040374 
1 1 1 -10 3  36 o 11.80905 3.804870  -5.592494      7.609739 
1 1 1 -10 3  37 o 17.78380 5.220783  -4.794932      10.44157 
1 1 1 -10 4  1  o 267.2931 2.729696  -3.341492      5.459391 
1 1 1 -10 4  2  o 276.8077 2.815898  4.721527       5.631796 
1 1 1 -10 4  3  o 75.93079 2.267126  2.507385       4.534253 
1 1 1 -10 4  4  o 321.6082 3.204231  8.826721       6.408463 
1 1 1 -10 4  5  o 75.20584 1.522509  -3.606743      3.045019 
1 1 1 -10 4  6  o 358.9983 3.530776  -5.304474      7.061552 
1 1 1 -10 4  7  o 581.0520 7.876502  25.77997       15.75300 
1 1 1 -10 4  8  f 64.40511 1.597220  -6.118500      3.194440 
1 1 1 -10 4  9  o 166.7063 2.418461  -2.403580      4.836923 
1 1 1 -10 4  10 o 172.9825 2.003854  5.072845       4.007707 
1 1 1 -10 4  11 o 163.6002 1.952510  2.298874       3.905020 
1 1 1 -10 4  12 o 77.15991 2.394063  7.650368       4.788125 
1 1 1 -10 4  13 o 199.6920 2.629607  8.333603       5.259214 
1 1 1 -10 4  14 o 55.24312 2.293969  ?              ?        
1 1 1 -10 4  15 o 128.7308 1.856956  0.8638000E-01  3.713912 
1 1 1 -10 4  16 o 153.4756 1.950272  0.8363495      3.900544 
1 1 1 -10 4  17 o 157.2033 2.837209  0.7058716      5.674417 
1 1 1 -10 4  18 o 105.1273 1.787865  -3.201775      3.575730 
1 1 1 -10 4  19 o 216.9097 3.389156  -1.305008      6.778312 
1 1 1 -10 4  20 o 70.83675 1.836401  2.893654       3.672801 
1 1 1 -10 4  21 f 18.23771 3.952855  -0.9702454     7.905710 
1 1 1 -10 4  22 o 61.86230 2.012713  -8.215820      4.025427 
1 1 1 -10 4  23 o 30.95449 3.339773  -6.105852      6.679545 
1 1 1 -10 4  24 o 93.53558 1.888984  -2.367050      3.777969 
1 1 1 -10 4  25 o 77.69769 2.292809  -0.7046967     4.585617 
1 1 1 -10 4  26 o 89.82676 1.978608  -2.144577      3.957215 
1 1 1 -10 4  27 o 126.7100 2.629467  15.16496       5.258934 
1 1 1 -10 4  28 o 70.84222 2.360117  -2.887856      4.720233 
1 1 1 -10 4  29 o 38.79896 3.701974  -15.80952      7.403947 
1 1 1 -10 4  30 o 22.70264 4.389000  -5.713097      8.778000 
1 1 1 -10 4  31 o 39.41635 3.115433  -6.075020      6.230867 
1 1 1 -10 4  32 o 34.51620 3.291092  2.869358       6.582184 
1 1 1 -10 4  33 o 23.63704 5.509152  -9.820492      11.01830 
1 1 1 -10 4  34 o 37.56057 3.299412  -13.32025      6.598823 
1 1 1 -10 4  35 o 17.17521 4.891627  -1.601324      9.783254 
1 1 1 -10 4  36 o 18.98693 4.142504  -15.70808      8.285008 
1 1 1 -10 5  1  o 170.8167 2.495862  11.42270       4.991724 
1 1 1 -10 5  2  o 257.8811 2.714259  -6.557495      5.428518 
1 1 1 -10 5  3  o 78.43452 2.285517  -4.330376      4.571034 
1 1 1 -10 5  4  o 192.8949 2.202555  4.132172       4.405110 
1 1 1 -10 5  5  o 187.9267 2.175243  3.568970       4.350487 
1 1 1 -10 5  6  o 96.47961 2.323663  6.366119       4.647326 
1 1 1 -10 5  7  o 293.8267 3.017787  14.40225       6.035574 
1 1 1 -10 5  8  o 399.8047 3.938635  2.326233       7.877270 
1 1 1 -10 5  9  o 79.78101 2.258536  1.420692       4.517073 
1 1 1 -10 5  10 o 293.8287 3.011693  -0.9860229     6.023385 
1 1 1 -10 5  11 o 164.8525 2.047044  6.477509       4.094087 
1 1 1 -10 5  12 o 40.88116 3.868016  -6.827484      7.736032 
1 1 1 -10 5  13 o 239.1411 3.075352  7.547897       6.150704 
1 1 1 -10 5  14 o 63.56849 2.212074  -2.789116      4.424149 
1 1 1 -10 5  15 o 131.1311 1.946336  -0.5637970     3.892671 
1 1 1 -10 5  16 o 215.6576 3.456235  13.86166       6.912470 
1 1 1 -10 5  17 o 85.68314 1.930327  2.064186       3.860654 
1 1 1 -10 5  18 o 182.1606 2.712609  -7.872330      5.425219 
1 1 1 -10 5  19 o 82.53840 1.874378  5.920853       3.748757 
1 1 1 -10 5  20 o 161.4969 2.086527  -2.412384      4.173054 
1 1 1 -10 5  21 o 56.29510 2.164007  -3.372738      4.328014 
1 1 1 -10 5  22 o 81.94691 1.985284  -11.12340      3.970567 
1 1 1 -10 5  23 o 134.3346 2.016021  1.563217       4.032043 
1 1 1 -10 5  24 o 108.3333 1.983122  7.602119       3.966245 
1 1 1 -10 5  25 o 35.57401 4.658885  -13.69077      9.317770 
1 1 1 -10 5  26 o 46.13604 2.695603  0.5720406      5.391205 
1 1 1 -10 5  27 o 43.86327 3.467289  -0.6499367     6.934579 
1 1 1 -10 5  28 o 49.29053 2.805619  16.97839       5.611239 
1 1 1 -10 5  29 o 19.06595 4.675693  9.330462       9.351385 
1 1 1 -10 5  30 o 56.34116 2.662000  -5.627007      5.324000 
1 1 1 -10 5  31 o 16.81873 4.300889  -6.085096      8.601779 
1 1 1 -10 5  32 o 12.38819 3.937114  3.477321       7.874228 
1 1 1 -10 5  33 o 25.86333 4.379837  -15.21039      8.759674 
1 1 1 -10 5  34 o 32.44283 4.631083  -12.32875      9.262166 
1 1 1 -10 5  35 o 27.66612 4.036977  -18.53533      8.073955 
1 1 1 -10 5  36 o 20.70217 4.530675  -13.19251      9.061351 
1 1 1 -10 6  1  o 184.4734 2.601358  -3.441925      5.202717 
1 1 1 -10 6  2  f 113.4382 2.409075  -4.656219      4.818150 
1 1 1 -10 6  3  o 251.9926 3.291794  1.279648       6.583588 
1 1 1 -10 6  4  o 144.1200 2.357489  1.625488       4.714978 
1 1 1 -10 6  5  o 338.2911 4.120772  17.11658       8.241545 
1 1 1 -10 6  6  o 90.62288 1.837529  -4.091850      3.675059 
1 1 1 -10 6  7  o 143.6718 2.389534  -3.461929      4.779067 
1 1 1 -10 6  8  o 114.6050 2.454805  1.614014       4.909610 
1 1 1 -10 6  9  o 96.50731 1.873858  2.463722       3.747716 
1 1 1 -10 6  10 o 163.6583 2.099921  -8.206635      4.199842 
1 1 1 -10 6  11 o 215.7233 2.472420  5.780624       4.944839 
1 1 1 -10 6  12 o 427.6090 5.256974  10.63861       10.51395 
1 1 1 -10 6  13 o 172.8407 2.595805  3.984924       5.191609 
1 1 1 -10 6  14 o 62.19731 2.301650  7.855675       4.603300 
1 1 1 -10 6  15 o 225.7400 3.067473  -4.339920      6.134946 
1 1 1 -10 6  16 o 189.4896 2.350284  -0.2117157     4.700569 
1 1 1 -10 6  17 o 167.1183 2.191793  3.095200       4.383586 
1 1 1 -10 6  18 o 82.40071 3.584856  ?              ?        
1 1 1 -10 6  19 o 90.26221 1.989713  -4.036743      3.979425 
1 1 1 -10 6  20 o 38.46357 2.967067  -4.469955      5.934133 
1 1 1 -10 6  21 o 108.4582 1.992900  0.8985977      3.985799 
1 1 1 -10 6  22 o 59.10225 2.195247  1.670624       4.390494 
1 1 1 -10 6  23 o 108.5360 2.029280  -1.455101      4.058560 
1 1 1 -10 6  24 o 58.09784 2.621392  -3.668041      5.242785 
1 1 1 -10 6  25 o 94.10162 2.922273  1.277039       5.844545 
1 1 1 -10 6  26 o 76.82774 2.862542  -1.585091      5.725083 
1 1 1 -10 6  27 o 64.55925 3.003858  -13.52658      6.007715 
1 1 1 -10 6  28 o 25.64501 4.737062  -0.4848385     9.474123 
1 1 1 -10 6  29 o 92.23441 2.267749  -1.890671      4.535498 
1 1 1 -10 6  30 o 43.28915 3.155854  -0.8500443     6.311709 
1 1 1 -10 6  31 o 74.73979 2.467001  -11.25234      4.934002 
1 1 1 -10 6  32 o 20.17891 4.827663  7.659693       9.655326 
1 1 1 -10 6  33 o 19.83397 6.654536  ?              ?        
1 1 1 -10 6  34 o 34.29216 4.362285  -22.60914      8.724570 
1 1 1 -10 6  35 o 25.39918 7.083061  ?              ?        
1 1 1 -10 6  36 o 29.44024 4.090341  -16.62620      8.180682 
1 1 1 -10 7  1  o 146.1555 2.441425  3.770065       4.882850 
1 1 1 -10 7  2  o 366.4757 5.176776  2.826111       10.35355 
1 1 1 -10 7  3  o 202.7271 2.889105  1.222427       5.778211 
1 1 1 -10 7  4  o 228.3897 3.633897  -0.1884003     7.267795 
1 1 1 -10 7  5  o 104.5017 2.330640  3.779953       4.661281 
1 1 1 -10 7  6  o 239.6229 3.245846  -2.284088      6.491693 
1 1 1 -10 7  7  o 99.65791 2.638395  1.039589       5.276790 
1 1 1 -10 7  8  o 155.9635 2.147274  0.2994080      4.294547 
1 1 1 -10 7  9  o 200.2064 2.406655  6.209030       4.813311 
1 1 1 -10 7  10 o 233.4926 2.648607  0.3403625      5.297213 
1 1 1 -10 7  11 o 297.9365 3.161592  4.457916       6.323185 
1 1 1 -10 7  12 o 153.2015 2.702650  3.063690       5.405299 
1 1 1 -10 7  13 o 128.2847 2.493019  -1.760498      4.986038 
1 1 1 -10 7  14 o 146.9062 2.217934  4.727798       4.435867 
1 1 1 -10 7  15 o 138.5927 2.714117  0.5076752      5.428234 
1 1 1 -10 7  16 o 129.9827 2.106023  1.546219       4.212047 
1 1 1 -10 7  17 o 39.98384 4.973323  -7.744171      9.946646 
1 1 1 -10 7  18 o 35.23373 3.516707  -3.499100      7.033414 
1 1 1 -10 7  19 o 152.3596 2.188581  -3.192276      4.377163 
1 1 1 -10 7  20 o 89.78163 2.083495  -3.654671      4.166991 
1 1 1 -10 7  21 o 102.2089 2.538915  -0.1921844E-01 5.077830 
1 1 1 -10 7  22 o 151.5970 2.213496  -1.725006      4.426991 
1 1 1 -10 7  23 o 93.27819 2.153157  1.204254       4.306314 
1 1 1 -10 7  24 o 92.46303 2.892337  -0.3127289     5.784675 
1 1 1 -10 7  25 o 76.69731 2.340538  -10.36463      4.681076 
1 1 1 -10 7  26 o 124.2166 2.687623  -10.63498      5.375247 
1 1 1 -10 7  27 o 74.18315 2.493407  5.742699       4.986813 
1 1 1 -10 7  28 o 51.79337 3.059565  -8.127979      6.119131 
1 1 1 -10 7  29 o 66.40105 2.597825  -5.467808      5.195651 
1 1 1 -10 7  30 o 22.20632 4.809675  -1.704782      9.619349 
1 1 1 -10 7  31 o 80.84620 2.392443  -19.62381      4.784887 
1 1 1 -10 7  32 o 42.31700 4.253430  -20.96345      8.506861 
1 1 1 -10 7  33 o 34.86555 4.459640  1.287178       8.919280 
1 1 1 -10 7  34 o 43.20105 3.686772  -23.47767      7.373545 
1 1 1 -10 7  35 o 23.65741 4.313313  -20.73690      8.626625 
1 1 1 -10 7  36 o 22.54120 4.819090  -7.339422      9.638181 
1 1 1 -10 8  1  o 334.9696 4.269292  10.99463       8.538584 
1 1 1 -10 8  2  o 147.5661 4.193810  ?              ?        
1 1 1 -10 8  3  o 152.8045 2.605230  2.849228       5.210459 
1 1 1 -10 8  4  o 234.8784 3.724514  12.21295       7.449027 
1 1 1 -10 8  5  o 56.89371 3.016502  ?              ?        
1 1 1 -10 8  6  o 234.5671 3.232897  -3.182480      6.465793 
1 1 1 -10 8  7  o 391.1755 4.901597  12.17905       9.803193 
1 1 1 -10 8  8  o 220.2098 2.599754  1.664261       5.199507 
1 1 1 -10 8  9  o 170.6815 2.341407  4.949600       4.682814 
1 1 1 -10 8  10 o 355.6082 3.671285  10.41992       7.342570 
1 1 1 -10 8  11 o 81.25696 2.805017  0.6445084      5.610034 
1 1 1 -10 8  12 o 147.9574 2.774404  1.847229       5.548809 
1 1 1 -10 8  13 o 88.94985 2.680062  6.586975       5.360123 
1 1 1 -10 8  14 f 123.7836 2.743747  10.53465       5.487494 
1 1 1 -10 8  15 o 225.8366 2.687518  -1.012375      5.375035 
1 1 1 -10 8  16 o 204.6825 3.679657  4.405396       7.359314 
1 1 1 -10 8  17 o 61.02475 2.577902  -4.241730      5.155805 
1 1 1 -10 8  18 f 165.1614 2.302098  -8.177185      4.604195 
1 1 1 -10 8  19 o 52.23429 2.594983  1.837711       5.189967 
1 1 1 -10 8  20 o 61.91171 2.372093  3.038742       4.744186 
1 1 1 -10 8  21 o 30.83556 5.145987  -14.50005      10.29197 
1 1 1 -10 8  22 o 27.74808 4.149739  2.203529       8.299479 
1 1 1 -10 8  23 o 115.9584 2.498563  5.342674       4.997126 
1 1 1 -10 8  24 o 29.61157 4.435694  -9.617172      8.871388 
1 1 1 -10 8  25 o 119.8177 3.135092  -6.902809      6.270185 
1 1 1 -10 8  26 o 64.63915 4.989318  ?              ?        
1 1 1 -10 8  27 o 118.8372 2.419637  -2.232727      4.839273 
1 1 1 -10 8  28 o 77.25458 2.589345  2.452202       5.178690 
1 1 1 -10 8  29 o 19.66589 4.902524  -1.640577      9.805048 
1 1 1 -10 8  30 o 51.00768 3.150330  -14.11576      6.300661 
1 1 1 -10 8  31 o 79.00803 2.903494  -36.34929      5.806988 
1 1 1 -10 8  32 o 19.01422 4.513443  -6.138618      9.026885 
1 1 1 -10 8  33 o 29.43507 3.946662  -21.89322      7.893324 
1 1 1 -10 8  34 o 28.24729 4.132169  -18.76260      8.264338 
1 1 1 -10 8  35 o 31.19010 4.152919  -26.68430      8.305838 
1 1 1 -10 9  1  o 201.6920 3.385711  0.1088104      6.771423 
1 1 1 -10 9  2  o 144.2525 2.934845  -4.027222      5.869690 
1 1 1 -10 9  3  o 158.2467 3.188467  ?              ?        
1 1 1 -10 9  4  o 150.8792 2.725603  0.6893463      5.451206 
1 1 1 -10 9  5  o 202.2357 3.050160  -2.594040      6.100320 
1 1 1 -10 9  6  o 324.6144 4.203746  5.327728       8.407493 
1 1 1 -10 9  7  o 166.9805 2.888410  13.92618       5.776819 
1 1 1 -10 9  8  o 190.9312 3.011938  3.079117       6.023876 
1 1 1 -10 9  9  o 21.81316 5.384486  14.11824       10.76897 
1 1 1 -10 9  10 o 335.0486 3.547477  0.8990479      7.094954 
1 1 1 -10 9  11 o 156.8640 2.872443  -0.3594360     5.744885 
1 1 1 -10 9  12 o 230.4187 3.856987  8.919724       7.713974 
1 1 1 -10 9  13 f 183.5944 2.970365  6.614487       5.940731 
1 1 1 -10 9  14 o 222.7663 2.735885  3.867828       5.471770 
1 1 1 -10 9  15 o 203.8703 3.773470  4.946930       7.546941 
1 1 1 -10 9  16 o 35.22794 3.892251  1.224110       7.784503 
1 1 1 -10 9  17 o 43.90697 3.161016  1.284222       6.322032 
1 1 1 -10 9  18 o 65.07888 2.442891  5.932636       4.885782 
1 1 1 -10 9  19 o 58.32615 2.608883  -5.362850      5.217767 
1 1 1 -10 9  20 o 73.34914 2.349655  1.883522       4.699311 
1 1 1 -10 9  21 o 79.28650 3.301727  -2.126091      6.603455 
1 1 1 -10 9  22 o 56.20795 2.949013  0.2734146      5.898027 
1 1 1 -10 9  23 o 80.93108 3.135449  -4.260689      6.270898 
1 1 1 -10 9  24 o 18.91472 5.542603  8.875417       11.08521 
1 1 1 -10 9  25 o 95.09212 3.016879  -3.584961      6.033759 
1 1 1 -10 9  26 o 28.20726 4.781747  -0.3207722     9.563495 
1 1 1 -10 9  27 o 97.83829 2.551663  -3.551567      5.103326 
1 1 1 -10 9  28 o 79.22839 2.558194  -7.441788      5.116387 
1 1 1 -10 9  29 o 97.61859 2.408458  -0.4325867     4.816916 
1 1 1 -10 9  30 o 62.23341 2.922885  -10.88070      5.845769 
1 1 1 -10 9  31 o 15.98010 4.797122  2.039852       9.594245 
1 1 1 -10 9  32 o 20.59136 4.950023  -5.106825      9.900046 
1 1 1 -10 9  33 o 14.70220 6.656307  ?              ?        
1 1 1 -10 9  34 o 34.32013 3.911840  -30.49145      7.823680 
1 1 1 -10 9  35 o 40.36876 3.705050  -20.55185      7.410099 
1 1 1 -10 10 1  o 193.2916 4.713349  ?              ?        
1 1 1 -10 10 2  o 259.5037 4.057321  4.829834       8.114641 
1 1 1 -10 10 3  o 173.6207 2.914924  3.191666       5.829849 
1 1 1 -10 10 4  o 230.4141 3.421748  8.257553       6.843496 
1 1 1 -10 10 5  o 83.95402 2.940929  0.8921814E-01  5.881857 
1 1 1 -10 10 6  o 218.6534 3.228703  -6.950241      6.457406 
1 1 1 -10 10 7  o 100.0737 2.831871  1.010849       5.663743 
1 1 1 -10 10 8  o 32.56525 5.081697  -5.924038      10.16339 
1 1 1 -10 10 9  o 313.4423 4.127303  -3.015472      8.254605 
1 1 1 -10 10 10 f 175.6189 3.029995  -4.284821      6.059991 
1 1 1 -10 10 11 o 91.44290 3.404697  6.547714       6.809394 
1 1 1 -10 10 12 o 41.70808 4.654705  -7.830173      9.309410 
1 1 1 -10 10 13 o 80.91933 2.957675  -0.2644348     5.915349 
1 1 1 -10 10 14 f 65.38527 3.457866  5.360710       6.915731 
1 1 1 -10 10 15 o 164.3808 2.483346  -2.673752      4.966693 
1 1 1 -10 10 16 o 23.68884 4.858514  -5.023659      9.717029 
1 1 1 -10 10 17 o 99.57899 2.343940  -0.3061905     4.687880 
1 1 1 -10 10 18 o 110.1704 2.342582  -4.565025      4.685163 
1 1 1 -10 10 19 o 117.3488 2.315965  6.945053       4.631930 
1 1 1 -10 10 20 o 91.66922 2.411492  -7.881195      4.822984 
1 1 1 -10 10 21 o 62.29327 3.427498  5.575176       6.854997 
1 1 1 -10 10 22 o 21.39702 4.986398  -4.815729      9.972795 
1 1 1 -10 10 23 o 13.24783 4.546124  4.861592       9.092249 
1 1 1 -10 10 24 o 65.48750 3.657231  4.778912       7.314463 
1 1 1 -10 10 25 o 27.68700 5.300643  1.358757       10.60129 
1 1 1 -10 10 26 o 81.66310 2.720710  11.51809       5.441420 
1 1 1 -10 10 27 o 73.67901 2.964927  -7.232758      5.929853 
1 1 1 -10 10 28 o 74.06877 2.799218  -12.28555      5.598435 
1 1 1 -10 10 29 o 47.04481 3.218491  -11.42712      6.436982 
1 1 1 -10 10 30 o 48.71573 3.758336  -13.04724      7.516672 
1 1 1 -10 10 31 o 16.59243 4.781097  0.5039215E-02  9.562195 
1 1 1 -10 10 32 o 15.24410 4.539402  -10.71817      9.078803 
1 1 1 -10 10 33 o 12.93017 4.087172  -2.845683      8.174343 
1 1 1 -10 10 34 o 14.33472 4.429034  -6.847994      8.858068 
1 1 1 -10 10 35 o 18.76888 6.466748  ?              ?        
1 1 1 -10 11 1  o 111.2747 3.068983  4.041473       6.137965 
1 1 1 -10 11 2  o 70.77867 3.387432  -4.413353      6.774864 
1 1 1 -10 11 3  o 324.9527 4.874900  -5.680786      9.749800 
1 1 1 -10 11 4  o 104.6715 5.031824  ?              ?        
1 1 1 -10 11 5  o 137.5652 2.847359  -4.794525      5.694719 
1 1 1 -10 11 6  o 51.20210 3.943836  -9.566525      7.887673 
1 1 1 -10 11 7  o 217.1595 3.338859  5.589325       6.677718 
1 1 1 -10 11 8  o 57.97436 3.747346  -0.9806671     7.494692 
1 1 1 -10 11 9  o 244.1308 4.121672  11.26418       8.243344 
1 1 1 -10 11 10 o 110.4899 2.895252  2.841919       5.790504 
1 1 1 -10 11 11 o 78.31390 3.101462  11.95150       6.202925 
1 1 1 -10 11 12 o 56.48091 5.278945  ?              ?        
1 1 1 -10 11 13 o 120.3963 3.277591  -2.405327      6.555181 
1 1 1 -10 11 14 o 92.08308 2.909626  3.593620       5.819251 
1 1 1 -10 11 15 o 170.1957 3.025362  -0.9695129     6.050724 
1 1 1 -10 11 16 o 77.93569 2.522011  2.104462       5.044021 
1 1 1 -10 11 17 o 128.9298 2.433448  -6.802422      4.866896 
1 1 1 -10 11 18 o 107.9981 2.405827  0.9112701      4.811655 
1 1 1 -10 11 19 o 52.33712 2.970352  3.193451       5.940703 
1 1 1 -10 11 20 o 55.91366 4.557206  ?              ?        
1 1 1 -10 11 21 o 66.98012 2.932606  5.286888       5.865212 
1 1 1 -10 11 22 o 109.7881 3.546547  2.845047       7.093093 
1 1 1 -10 11 23 o 42.57695 4.841696  6.461449       9.683392 
1 1 1 -10 11 24 o 15.44553 4.907636  9.155993       9.815272 
1 1 1 -10 11 25 o 33.96798 4.905363  -11.59923      9.810725 
1 1 1 -10 11 26 o 29.21081 4.938260  -12.37056      9.876519 
1 1 1 -10 11 27 o 56.84223 3.294461  -10.15681      6.588921 
1 1 1 -10 11 28 o 59.02333 2.969319  -13.92949      5.938637 
1 1 1 -10 11 29 o 36.68156 3.723978  -4.120651      7.447956 
1 1 1 -10 11 30 o 26.83856 4.870299  -9.798147      9.740598 
1 1 1 -10 11 31 o 21.98076 4.485280  -9.874546      8.970559 
1 1 1 -10 11 32 o 14.06471 4.050998  5.755956       8.101996 
1 1 1 -10 11 33 o 38.49218 3.652523  -25.91641      7.305045 
1 1 1 -10 11 34 o 19.93600 4.444812  -14.99521      8.889624 
1 1 1 -10 12 1  o 177.0946 3.386592  -1.401230      6.773185 
1 1 1 -10 12 2  o 88.28738 3.350884  0.9599762      6.701769 
1 1 1 -10 12 3  o 182.9037 3.511811  -3.691177      7.023623 
1 1 1 -10 12 4  x ?        ?         ?              ?        
1 1 1 -10 12 5  o 201.7607 3.228400  -6.068878      6.456800 
1 1 1 -10 12 6  o 162.6200 3.026500  2.521057       6.053000 
1 1 1 -10 12 7  o 118.4488 3.571124  11.72472       7.142248 
1 1 1 -10 12 8  o 63.40439 3.351135  10.24723       6.702270 
1 1 1 -10 12 9  o 107.8781 3.018571  -0.6985168     6.037142 
1 1 1 -10 12 10 o 111.5570 4.434331  ?              ?        
1 1 1 -10 12 11 f 124.1383 2.988436  -3.406990      5.976873 
1 1 1 -10 12 12 o 126.7825 2.935208  5.576981       5.870417 
1 1 1 -10 12 13 o 90.92862 3.453516  -0.8788986     6.907031 
1 1 1 -10 12 14 o 134.9017 3.446401  -6.225113      6.892801 
1 1 1 -10 12 15 o 74.83833 3.204141  -12.42162      6.408282 
1 1 1 -10 12 16 o 99.61333 2.963572  -7.197708      5.927143 
1 1 1 -10 12 17 o 25.59811 5.592856  8.742813       11.18571 
1 1 1 -10 12 18 o 47.74525 4.061378  -4.428814      8.122755 
1 1 1 -10 12 19 o 54.04321 4.042365  13.70552       8.084730 
1 1 1 -10 12 20 o 170.9334 2.652163  -2.404083      5.304326 
1 1 1 -10 12 21 o 58.39078 4.655828  4.492359       9.311657 
1 1 1 -10 12 22 o 20.45325 5.840787  -0.1386795     11.68157 
1 1 1 -10 12 23 o 57.31786 3.346960  8.837479       6.693921 
1 1 1 -10 12 24 o 71.94305 3.226214  -4.336693      6.452427 
1 1 1 -10 12 25 o 32.87114 5.231026  -3.920822      10.46205 
1 1 1 -10 12 26 o 82.41289 2.813072  0.9373932      5.626144 
1 1 1 -10 12 27 o 58.63454 3.288869  -13.20535      6.577738 
1 1 1 -10 12 28 o 47.10315 3.487454  -10.98455      6.974908 
1 1 1 -10 12 29 o 12.90619 4.047037  0.6797628      8.094074 
1 1 1 -10 12 30 o 51.96171 2.834090  -22.48114      5.668180 
1 1 1 -10 12 31 o 21.43109 4.691664  -3.508848      9.383328 
1 1 1 -10 12 32 o 25.89367 6.409214  ?              ?        
1 1 1 -10 12 33 o 19.59509 4.133842  -19.70166      8.267683 
1 1 1 -10 12 34 o 22.83898 4.789307  -7.633221      9.578613 
1 1 1 -10 13 1  o 111.0252 3.169713  5.334236       6.339425 
1 1 1 -10 13 2  o 108.4558 3.260209  -6.578735      6.520419 
1 1 1 -10 13 3  o 230.3407 3.970473  1.425842       7.940946 
1 1 1 -10 13 4  o 197.9605 3.893631  20.15259       7.787263 
1 1 1 -10 13 5  o 60.87097 5.642266  ?              ?        
1 1 1 -10 13 6  o 94.69290 2.993041  -2.793282      5.986082 
1 1 1 -10 13 7  o 61.71302 3.847088  -2.931496      7.694176 
1 1 1 -10 13 8  o 74.49525 4.923074  ?              ?        
1 1 1 -10 13 9  o 91.43848 3.249137  -5.230247      6.498274 
1 1 1 -10 13 10 o 95.41494 3.106663  -8.794891      6.213325 
1 1 1 -10 13 11 o 128.9810 2.941104  -12.28116      5.882208 
1 1 1 -10 13 12 o 135.7248 3.001647  0.4169464      6.003294 
1 1 1 -10 13 13 o 140.9978 3.106097  6.258362       6.212194 
1 1 1 -10 13 14 o 75.43320 3.721204  5.773949       7.442408 
1 1 1 -10 13 15 o 111.9384 3.045284  -2.702202      6.090569 
1 1 1 -10 13 16 f 123.7188 3.112047  6.061607       6.224094 
1 1 1 -10 13 17 o 138.0287 3.581563  -12.38205      7.163127 
1 1 1 -10 13 18 o 113.4355 3.128420  0.5570374      6.256840 
1 1 1 -10 13 19 o 73.85382 3.422634  -4.675728      6.845268 
1 1 1 -10 13 20 o 56.31393 5.426251  ?              ?        
1 1 1 -10 13 21 o 22.86403 6.195703  9.469950       12.39141 
1 1 1 -10 13 22 o 89.94969 3.555834  -6.863609      7.111668 
1 1 1 -10 13 23 o 51.32299 4.439321  6.706619       8.878641 
1 1 1 -10 13 24 o 63.20409 3.384526  -3.662140      6.769052 
1 1 1 -10 13 25 o 108.4943 2.760640  1.572044       5.521281 
1 1 1 -10 13 26 o 48.88602 3.912624  -12.16962      7.825248 
1 1 1 -10 13 27 o 14.15512 4.398575  5.749307       8.797151 
1 1 1 -10 13 28 o 27.52728 4.103305  -25.03364      8.206610 
1 1 1 -10 13 29 o 81.90065 2.512633  -27.09608      5.025266 
1 1 1 -10 13 30 o 33.26888 3.545551  2.787485       7.091101 
1 1 1 -10 13 31 o 20.50307 4.573533  -7.406956      9.147065 
1 1 1 -10 13 32 o 21.91056 4.611189  -3.993385      9.222379 
1 1 1 -10 13 33 o 10.81844 3.584886  -0.4146719     7.169771 
1 1 1 -10 14 1  o 114.0711 3.208854  2.835663       6.417709 
1 1 1 -10 14 2  o 50.27670 5.869628  ?              ?        
1 1 1 -10 14 3  o 227.6394 3.990227  3.301636       7.980454 
1 1 1 -10 14 4  o 79.25468 3.521734  7.957191       7.043469 
1 1 1 -10 14 5  o 58.56644 4.030670  16.00301       8.061340 
1 1 1 -10 14 6  o 67.42480 5.049927  ?              ?        
1 1 1 -10 14 7  o 50.15547 3.933493  -5.278427      7.866986 
1 1 1 -10 14 8  o 101.2664 3.067442  -1.435944      6.134885 
1 1 1 -10 14 9  o 90.48251 3.106853  -5.129318      6.213707 
1 1 1 -10 14 10 o 134.3005 3.036152  -0.6410675     6.072304 
1 1 1 -10 14 11 o 97.29220 3.100130  0.9535828      6.200260 
1 1 1 -10 14 12 o 88.14720 3.157254  3.400406       6.314507 
1 1 1 -10 14 13 o 139.1988 3.018821  -3.908691      6.037642 
1 1 1 -10 14 14 o 130.4403 3.582914  3.183258       7.165828 
1 1 1 -10 14 15 o 157.9001 3.228418  6.089752       6.456836 
1 1 1 -10 14 16 o 99.25725 3.694629  -13.63483      7.389258 
1 1 1 -10 14 17 o 89.26014 3.269407  -8.906570      6.538814 
1 1 1 -10 14 18 o 44.34943 4.918243  ?              ?        
1 1 1 -10 14 19 o 49.13419 4.884642  10.09432       9.769284 
1 1 1 -10 14 20 o 177.5604 3.472229  0.5174255      6.944457 
1 1 1 -10 14 21 o 46.05068 4.694890  17.85363       9.389781 
1 1 1 -10 14 22 o 118.1682 3.407623  -5.074409      6.815247 
1 1 1 -10 14 23 o 22.16144 5.566074  -8.364607      11.13215 
1 1 1 -10 14 24 o 46.31766 5.075109  1.787518       10.15022 
1 1 1 -10 14 25 o 19.55875 5.940616  5.859358       11.88123 
1 1 1 -10 14 26 o 51.12720 4.069788  5.353703       8.139577 
1 1 1 -10 14 27 o 55.03471 3.533574  ?              ?        
1 1 1 -10 14 28 o 13.93333 4.515332  6.326329       9.030663 
1 1 1 -10 14 29 o 27.40362 5.043442  -0.5010967     10.08688 
1 1 1 -10 14 30 o 60.30123 3.226789  -18.70260      6.453578 
1 1 1 -10 14 31 o 28.20082 4.317582  -16.81794      8.635163 
1 1 1 -10 14 32 o 11.73351 3.846514  1.819085       7.693027 
1 1 1 -10 15 1  o 78.54553 3.391358  -2.052589      6.782716 
1 1 1 -10 15 2  o 103.1367 3.287512  -7.125542      6.575025 
1 1 1 -10 15 3  o 93.05278 4.545485  ?              ?        
1 1 1 -10 15 4  o 146.8138 3.417852  7.616211       6.835704 
1 1 1 -10 15 5  f 28.09331 6.119376  6.209501       12.23875 
1 1 1 -10 15 6  o 137.1704 3.378061  -3.961700      6.756123 
1 1 1 -10 15 7  o 47.22079 4.068667  0.1059074      8.137335 
1 1 1 -10 15 8  o 40.42216 4.671227  -13.28229      9.342453 
1 1 1 -10 15 9  o 58.83099 3.506121  6.374249       7.012243 
1 1 1 -10 15 10 f 57.31561 3.702451  -3.810047      7.404902 
1 1 1 -10 15 11 o 158.1282 3.193394  0.1156769      6.386787 
1 1 1 -10 15 12 o 53.58009 3.864201  -11.85211      7.728402 
1 1 1 -10 15 13 o 121.1337 3.193155  -5.586601      6.386310 
1 1 1 -10 15 14 o 54.74805 4.527249  5.167248       9.054499 
1 1 1 -10 15 15 o 114.0337 3.232745  4.748665       6.465489 
1 1 1 -10 15 16 o 65.51868 3.948105  4.788357       7.896210 
1 1 1 -10 15 17 o 84.07622 4.017873  4.837296       8.035747 
1 1 1 -10 15 18 o 60.32878 4.005440  6.497639       8.010880 
1 1 1 -10 15 19 o 150.8517 3.383035  -6.591797      6.766070 
1 1 1 -10 15 20 o 112.9409 4.032085  9.614586       8.064171 
1 1 1 -10 15 21 o 67.10291 4.161699  8.395546       8.323399 
1 1 1 -10 15 22 o 46.66403 5.841212  -4.848213      11.68242 
1 1 1 -10 15 23 o 75.40129 4.297115  1.970329       8.594231 
1 1 1 -10 15 24 o 20.63460 5.744603  -6.959820      11.48921 
1 1 1 -10 15 25 o 57.97749 4.217429  -3.816879      8.434858 
1 1 1 -10 15 26 o 53.78022 3.775993  ?              ?        
1 1 1 -10 15 27 f 32.10903 5.944391  4.166756       11.88878 
1 1 1 -10 15 28 o 20.67959 5.098166  2.367706       10.19633 
1 1 1 -10 15 29 o 33.05247 4.126598  -21.21585      8.253196 
1 1 1 -10 15 30 o 15.80522 4.287912  -6.942251      8.575824 
1 1 1 -10 15 31 o 16.59398 4.403501  -5.064855      8.807002 
1 1 1 -10 15 32 o 24.28048 5.434662  -17.68195      10.86932 
1 1 1 -10 16 1  o 95.26004 3.356263  10.23357       6.712526 
1 1 1 -10 16 2  o 54.76376 4.033798  9.819302       8.067595 
1 1 1 -10 16 3  o 161.7708 3.511289  -8.860062      7.022578 
1 1 1 -10 16 4  o 91.25728 3.495715  -10.30845      6.991430 
1 1 1 -10 16 5  o 197.9314 3.825187  2.663437       7.650375 
1 1 1 -10 16 6  o 32.28271 5.164392  -21.55048      10.32878 
1 1 1 -10 16 7  o 44.17413 4.706118  9.653660       9.412235 
1 1 1 -10 16 8  o 39.41922 4.666847  15.28302       9.333694 
1 1 1 -10 16 9  o 50.00030 3.929054  7.478729       7.858108 
1 1 1 -10 16 10 o 121.5585 3.140504  0.2845764E-01  6.281009 
1 1 1 -10 16 11 o 30.89531 5.610763  -0.8538189     11.22153 
1 1 1 -10 16 12 o 42.23075 5.827575  6.667469       11.65515 
1 1 1 -10 16 13 o 194.9406 3.502927  -6.368835      7.005854 
1 1 1 -10 16 14 f 119.1832 3.885972  3.527748       7.771945 
1 1 1 -10 16 15 x ?        ?         ?              ?        
1 1 1 -10 16 16 o 56.36099 4.357347  5.537708       8.714694 
1 1 1 -10 16 17 o 24.59199 5.880936  -3.337889      11.76187 
1 1 1 -10 16 18 o 44.48579 5.404751  9.882473       10.80950 
1 1 1 -10 16 19 o 94.79559 3.562577  6.150429       7.125153 
1 1 1 -10 16 20 o 109.9543 4.056180  -4.574799      8.112359 
1 1 1 -10 16 21 o 50.69389 5.456794  -9.256157      10.91359 
1 1 1 -10 16 22 o 28.24809 5.930716  -9.144159      11.86143 
1 1 1 -10 16 23 o 15.24059 5.059913  -0.3888493     10.11983 
1 1 1 -10 16 24 o 44.48073 4.900374  -9.087292      9.800748 
1 1 1 -10 16 25 o 22.39581 5.286553  -9.021885      10.57311 
1 1 1 -10 16 26 o 17.42421 5.323027  0.3567371      10.64605 
1 1 1 -10 16 27 o 21.14313 4.582120  -10.05367      9.164240 
1 1 1 -10 16 28 o 17.29593 4.611430  -0.5169506     9.222860 
1 1 1 -10 16 29 o 18.90457 4.590690  -6.755786      9.181379 
1 1 1 -10 16 30 o 24.21179 3.975333  -21.08603      7.950665 
1 1 1 -10 16 31 o 36.34366 4.822327  -26.70043      9.644653 
1 1 1 -10 17 1  o 82.50765 3.499621  -18.54146      6.999241 
1 1 1 -10 17 2  o 92.97009 3.403463  10.29154       6.806926 
1 1 1 -10 17 3  f 129.3987 3.448716  7.848091       6.897432 
1 1 1 -10 17 4  o 134.7103 3.514078  3.048203       7.028156 
1 1 1 -10 17 5  o 53.15966 4.505903  -0.5488930     9.011806 
1 1 1 -10 17 6  o 118.8579 3.519785  -2.935699      7.039570 
1 1 1 -10 17 7  o 81.75092 3.695723  5.587715       7.391445 
1 1 1 -10 17 8  o 54.52181 4.441125  0.4937744      8.882251 
1 1 1 -10 17 9  o 34.16177 6.513946  5.215996       13.02789 
1 1 1 -10 17 10 f 75.01603 3.434676  -6.388748      6.869351 
1 1 1 -10 17 11 o 127.8051 3.347944  6.105301       6.695887 
1 1 1 -10 17 12 o 128.1679 5.380717  ?              ?        
1 1 1 -10 17 13 o 50.52192 8.091051  ?              ?        
1 1 1 -10 17 14 o 86.10919 4.333631  0.7743073E-01  8.667261 
1 1 1 -10 17 15 o 174.5271 4.209553  -6.246033      8.419106 
1 1 1 -10 17 16 o 67.20157 4.182165  7.131264       8.364330 
1 1 1 -10 17 17 o 20.23755 5.643918  -7.640213      11.28784 
1 1 1 -10 17 18 o 111.7817 3.615627  -17.65701      7.231254 
1 1 1 -10 17 19 o 20.50983 6.083469  5.741755       12.16694 
1 1 1 -10 17 20 o 21.69919 6.217933  14.69874       12.43587 
1 1 1 -10 17 21 o 75.14802 4.627338  6.781494       9.254676 
1 1 1 -10 17 22 o 47.36578 5.479325  -2.127663      10.95865 
1 1 1 -10 17 23 o 14.61433 6.681662  ?              ?        
1 1 1 -10 17 24 o 36.64305 5.957097  -20.68463      11.91419 
1 1 1 -10 17 25 o 34.26238 5.066915  -8.388149      10.13383 
1 1 1 -10 17 26 o 12.06095 3.987143  1.337082       7.974286 
1 1 1 -10 17 27 o 28.44207 4.439959  -4.860651      8.879917 
1 1 1 -10 17 28 o 32.85166 4.325798  -13.31787      8.651595 
1 1 1 -10 17 29 o 12.50851 4.115196  -7.024322      8.230392 
1 1 1 -10 17 30 o 20.49579 5.257125  -15.24021      10.51425 
1 1 1 -10 18 1  o 17.34765 5.204861  -8.554092      10.40972 
1 1 1 -10 18 2  o 78.86754 3.651742  -11.07465      7.303483 
1 1 1 -10 18 3  o 46.97612 4.927705  14.17562       9.855410 
1 1 1 -10 18 4  o 59.63157 4.285587  -4.326370      8.571175 
1 1 1 -10 18 5  x ?        ?         ?              ?        
1 1 1 -10 18 6  f 108.6239 5.288562  ?              ?        
1 1 1 -10 18 7  o 58.93795 5.979885  ?              ?        
1 1 1 -10 18 8  o 82.11339 3.951121  -0.6233902     7.902243 
1 1 1 -10 18 9  o 69.11121 4.250468  -1.218979      8.500936 
1 1 1 -10 18 10 o 89.06430 5.066078  ?              ?        
1 1 1 -10 18 11 o 71.66991 4.936621  2.463501       9.873241 
1 1 1 -10 18 12 o 19.14171 6.015621  4.509281       12.03124 
1 1 1 -10 18 13 o 86.58067 4.514720  -3.618523      9.029441 
1 1 1 -10 18 14 o 137.0270 4.255279  3.663391       8.510558 
1 1 1 -10 18 15 o 78.05399 4.805503  1.889336       9.611007 
1 1 1 -10 18 16 f 28.41569 5.992749  -14.96788      11.98550 
1 1 1 -10 18 17 f 105.3101 3.714822  2.132820       7.429644 
1 1 1 -10 18 18 o 60.52442 4.553825  -5.180946      9.107650 
1 1 1 -10 18 19 o 32.74616 5.960626  -28.57681      11.92125 
1 1 1 -10 18 20 o 51.58779 4.947046  6.447937       9.894092 
1 1 1 -10 18 21 o 62.03806 4.481783  -13.68655      8.963566 
1 1 1 -10 18 22 o 38.19702 5.661416  -10.84919      11.32283 
1 1 1 -10 18 23 o 22.80643 9.008641  ?              ?        
1 1 1 -10 18 24 o 14.01265 4.487839  0.5015059      8.975678 
1 1 1 -10 18 25 o 19.36934 4.569251  -9.059823      9.138502 
1 1 1 -10 18 26 o 12.87351 4.063133  4.943803       8.126266 
1 1 1 -10 18 27 o 16.62129 4.610975  3.602328       9.221950 
1 1 1 -10 18 28 o 32.98487 4.825573  -3.876274      9.651147 
1 1 1 -10 18 29 o 11.48649 3.875448  -0.4742985     7.750896 
1 1 1 -10 19 1  o 90.40080 3.724956  -7.632111      7.449912 
1 1 1 -10 19 2  o 95.81851 5.085451  ?              ?        
1 1 1 -10 19 3  o 43.96391 6.911348  ?              ?        
1 1 1 -10 19 4  o 50.40580 4.942490  -8.020470      9.884980 
1 1 1 -10 19 5  o 45.82105 7.430505  ?              ?        
1 1 1 -10 19 6  o 92.26003 3.842081  -8.873878      7.684163 
1 1 1 -10 19 7  o 31.91451 9.649740  ?              ?        
1 1 1 -10 19 8  o 40.85517 5.969326  11.03482       11.93865 
1 1 1 -10 19 9  o 92.06386 4.163990  -9.685768      8.327980 
1 1 1 -10 19 10 o 66.16469 5.443106  14.84495       10.88621 
1 1 1 -10 19 11 o 68.87526 5.278369  10.58469       10.55674 
1 1 1 -10 19 12 o 53.52211 6.323851  -13.44791      12.64770 
1 1 1 -10 19 13 o 24.03725 7.046097  -5.171894      14.09219 
1 1 1 -10 19 14 o 76.02346 4.856281  9.906418       9.712562 
1 1 1 -10 19 15 o 94.33183 4.692214  7.995628       9.384429 
1 1 1 -10 19 16 o 35.82766 6.906714  8.628067       13.81343 
1 1 1 -10 19 17 o 22.14278 6.439362  -9.930044      12.87872 
1 1 1 -10 19 18 o 63.44358 4.498530  8.459511       8.997060 
1 1 1 -10 19 19 o 52.88934 4.963876  -13.75708      9.927752 
1 1 1 -10 19 20 f 17.08363 7.260441  ?              ?        
1 1 1 -10 19 21 o 44.47182 5.553533  -4.326027      11.10707 
1 1 1 -10 19 22 o 49.68865 4.865686  -27.32676      9.731372 
1 1 1 -10 19 23 o 20.72277 5.700168  -8.026581      11.40034 
1 1 1 -10 19 24 o 23.10938 4.673692  -9.680210      9.347384 
1 1 1 -10 19 25 o 13.66916 4.180833  -1.763606      8.361667 
1 1 1 -10 19 26 o 20.13158 4.747973  -0.1111813     9.495946 
1 1 1 -10 19 27 o 19.22138 4.895698  -14.25265      9.791396 
1 1 1 -10 19 28 o 17.68870 7.420880  ?              ?        
1 1 1 -10 20 1  o 124.3429 5.439890  ?              ?        
1 1 1 -10 20 2  o 40.32745 6.191232  -12.64541      12.38246 
1 1 1 -10 20 3  o 49.36970 7.756150  ?              ?        
1 1 1 -10 20 4  o 40.16717 6.166630  -13.55177      12.33326 
1 1 1 -10 20 5  o 24.38174 6.528388  -3.349722      13.05678 
1 1 1 -10 20 6  o 127.8044 3.892732  9.880859       7.785463 
1 1 1 -10 20 7  o 68.72581 4.514199  6.000618       9.028399 
1 1 1 -10 20 8  o 60.53123 4.925192  -8.099327      9.850384 
1 1 1 -10 20 9  o 34.58264 6.288367  -23.73559      12.57673 
1 1 1 -10 20 10 o 50.65343 6.611178  9.204544       13.22236 
1 1 1 -10 20 11 o 88.49146 5.025179  4.007538       10.05036 
1 1 1 -10 20 12 o 104.8537 4.592769  -5.936409      9.185538 
1 1 1 -10 20 13 o 66.31931 5.757857  -19.97641      11.51571 
1 1 1 -10 20 14 o 89.53663 4.814167  -8.991135      9.628335 
1 1 1 -10 20 15 o 46.60941 6.922739  5.026424       13.84548 
1 1 1 -10 20 16 o 30.72663 6.881672  -15.45323      13.76334 
1 1 1 -10 20 17 o 53.45846 5.518621  -15.27208      11.03724 
1 1 1 -10 20 18 f 67.34029 6.203339  ?              ?        
1 1 1 -10 20 19 o 29.86822 5.978034  -4.221479      11.95607 
1 1 1 -10 20 20 o 42.68708 4.722115  8.755119       9.444230 
1 1 1 -10 20 21 o 39.11537 4.807238  0.2350006      9.614475 
1 1 1 -10 20 22 o 13.93719 4.326888  -4.019494      8.653775 
1 1 1 -10 20 23 o 26.16734 8.386549  ?              ?        
1 1 1 -10 20 24 o 13.09434 3.969802  -6.462098      7.939604 
1 1 1 -10 20 25 o 15.10160 4.727865  -3.389397      9.455729 
1 1 1 -10 20 26 o 20.30212 5.110858  -16.11813      10.22172 
1 1 1 -10 20 27 o 23.82891 8.406553  ?              ?        
1 1 1 -10 21 1  o 36.02329 9.750832  ?              ?        
1 1 1 -10 21 2  o 81.27771 6.260001  ?              ?        
1 1 1 -10 21 3  o 51.53613 5.653258  13.84913       11.30652 
1 1 1 -10 21 4  o 57.04932 5.649400  15.53930       11.29880 
1 1 1 -10 21 5  f 67.45227 4.709798  6.222015       9.419597 
1 1 1 -10 21 6  o 48.59399 5.912650  0.1290894      11.82530 
1 1 1 -10 21 7  o 124.7615 4.058911  -0.2094116     8.117822 
1 1 1 -10 21 8  o 54.11809 5.478929  2.167625       10.95786 
1 1 1 -10 21 9  o 30.05203 6.828176  -13.32615      13.65635 
1 1 1 -10 21 10 o 79.98237 6.752089  ?              ?        
1 1 1 -10 21 11 o 92.50516 4.931165  14.85270       9.862329 
1 1 1 -10 21 12 o 120.7589 4.643713  15.86888       9.287425 
1 1 1 -10 21 13 o 72.55209 5.268486  -6.108383      10.53697 
1 1 1 -10 21 14 o 62.34521 5.594209  12.27861       11.18842 
1 1 1 -10 21 15 o 103.8658 6.378777  ?              ?        
1 1 1 -10 21 16 f 52.73368 8.196314  ?              ?        
1 1 1 -10 21 17 o 23.43023 5.840892  -3.895889      11.68178 
1 1 1 -10 21 18 o 34.68839 5.400387  -4.923046      10.80077 
1 1 1 -10 21 19 o 34.60968 5.079826  0.5919456      10.15965 
1 1 1 -10 21 20 o 22.33216 5.319738  -3.535662      10.63948 
1 1 1 -10 21 21 o 34.99712 4.861629  2.637791       9.723258 
1 1 1 -10 21 22 o 16.92548 4.657477  7.760421       9.314955 
1 1 1 -10 21 23 o 18.74387 7.733243  ?              ?        
1 1 1 -10 21 24 o 17.88531 4.937699  -11.97804      9.875398 
1 1 1 -10 21 25 o 19.86687 8.037936  ?              ?        
1 1 1 -10 21 26 o 11.96012 5.795833  ?              ?        
1 1 1 -10 22 1  o 53.27286 7.736172  ?              ?        
1 1 1 -10 22 2  o 42.61758 9.773254  ?              ?        
1 1 1 -10 22 3  o 38.98823 6.587067  2.811825       13.17413 
1 1 1 -10 22 4  o 84.15205 4.266768  -2.098061      8.533537 
1 1 1 -10 22 5  o 66.64178 4.750004  -9.900501      9.500008 
1 1 1 -10 22 6  o 32.80046 6.719159  16.78046       13.43832 
1 1 1 -10 22 7  o 69.73080 4.733036  7.099602       9.466071 
1 1 1 -10 22 8  o 52.64077 5.906450  -15.17129      11.81290 
1 1 1 -10 22 9  o 32.22437 10.42363  ?              ?        
1 1 1 -10 22 10 o 40.01995 9.050564  ?              ?        
1 1 1 -10 22 11 o 63.18340 5.889060  27.64943       11.77812 
1 1 1 -10 22 12 x ?        ?         ?              ?        
1 1 1 -10 22 13 x ?        ?         ?              ?        
1 1 1 -10 22 14 o 62.79036 4.856405  -3.373322      9.712811 
1 1 1 -10 22 15 o 62.36819 4.775535  5.932701       9.551070 
1 1 1 -10 22 16 o 17.96212 5.514287  7.468846       11.02857 
1 1 1 -10 22 17 o 15.47071 4.911322  4.083925       9.822643 
1 1 1 -10 22 18 o 30.92117 5.214010  0.5476265      10.42802 
1 1 1 -10 22 19 o 21.56406 5.656884  -3.215286      11.31377 
1 1 1 -10 22 20 o 19.78052 5.237920  3.377668       10.47584 
1 1 1 -10 22 21 o 23.78562 5.236005  -18.15331      10.47201 
1 1 1 -10 22 22 o 15.53588 4.763716  -2.149456      9.527431 
1 1 1 -10 22 23 o 13.30315 6.404459  ?              ?        
1 1 1 -10 22 24 o 13.47134 6.489316  ?              ?        
1 1 1 -10 22 25 x ?        ?         ?              ?        
1 1 1 -10 23 1  o 87.19048 6.564726  ?              ?        
1 1 1 -10 23 2  o 27.52315 10.05630  ?              ?        
1 1 1 -10 23 3  o 67.55344 7.268021  ?              ?        
1 1 1 -10 23 4  o 99.51888 4.200173  11.64172       8.400346 
1 1 1 -10 23 5  o 62.34391 6.276331  ?              ?        
1 1 1 -10 23 6  o 52.40244 7.738500  ?              ?        
1 1 1 -10 23 7  o 45.95932 6.110059  9.751965       12.22012 
1 1 1 -10 23 8  o 29.11699 6.524979  7.378878       13.04996 
1 1 1 -10 23 9  o 33.19233 9.674953  ?              ?        
1 1 1 -10 23 10 o 51.71028 5.292783  16.56128       10.58557 
1 1 1 -10 23 11 o 53.77259 6.637329  ?              ?        
1 1 1 -10 23 12 o 24.62283 6.362798  7.212307       12.72560 
1 1 1 -10 23 13 f 25.30071 6.376495  -7.967127      12.75299 
1 1 1 -10 23 14 o 46.59706 5.817167  -22.86932      11.63433 
1 1 1 -10 23 15 o 16.44374 5.271700  -3.740862      10.54340 
1 1 1 -10 23 16 o 19.17520 5.536854  6.114527       11.07371 
1 1 1 -10 23 17 o 20.09113 5.322343  8.074154       10.64469 
1 1 1 -10 23 18 o 41.18449 4.028232  -0.1990433     8.056464 
1 1 1 -10 23 19 o 15.26292 4.821913  -6.792595      9.643826 
1 1 1 -10 23 20 o 21.20160 5.385787  -1.239647      10.77157 
1 1 1 -10 23 21 o 19.21369 8.061518  ?              ?        
1 1 1 -10 23 22 x ?        ?         ?              ?        
1 1 1 -10 23 23 x ?        ?         ?              ?        
1 1 1 -10 24 1  o 25.34962 9.524459  ?              ?        
1 1 1 -10 24 2  o 19.18856 8.169676  ?              ?        
1 1 1 -10 24 3  o 73.22533 6.506170  ?              ?        
1 1 1 -10 24 4  o 36.78080 9.868993  ?              ?        
1 1 1 -10 24 5  o 92.47015 6.151814  ?              ?        
1 1 1 -10 24 6  x ?        ?         ?              ?        
1 1 1 -10 24 7  o 17.56591 5.514499  6.948639       11.02900 
1 1 1 -10 24 8  o 31.96704 5.925756  -26.03911      11.85151 
1 1 1 -10 24 9  f 37.40060 5.917222  8.037376       11.83444 
1 1 1 -10 24 10 o 42.76236 5.043384  10.96148       10.08677 
1 1 1 -10 24 11 o 29.66603 8.656045  ?              ?        
1 1 1 -10 24 12 o 32.80425 5.968091  15.77464       11.93618 
1 1 1 -10 24 13 o 31.34194 6.051272  -6.565012      12.10254 
1 1 1 -10 24 14 o 29.99080 5.867597  10.18270       11.73519 
1 1 1 -10 24 15 o 44.88484 4.818960  -7.554619      9.637920 
1 1 1 -10 24 16 o 32.91784 5.716374  -7.488272      11.43275 
1 1 1 -10 24 17 o 32.50121 5.264936  9.109779       10.52987 
1 1 1 -10 24 18 o 21.97628 5.678268  -2.618473      11.35654 
1 1 1 -10 24 19 o 18.08478 7.815997  ?              ?        
1 1 1 -10 24 20 x ?        ?         ?              ?        
1 1 1 -10 24 21 x ?        ?         ?              ?        
1 1 1 -10 25 1  o 19.14836 7.963320  ?              ?        
1 1 1 -10 25 2  o 45.96104 7.380514  ?              ?        
1 1 1 -10 25 3  o 20.55750 8.071605  ?              ?        
1 1 1 -10 25 4  o 37.52405 7.789442  ?              ?        
1 1 1 -10 25 5  o 22.77510 8.837223  ?              ?        
1 1 1 -10 25 6  o 51.41883 4.665403  -4.321144      9.330807 
1 1 1 -10 25 7  o 40.33694 5.118512  -6.391956      10.23702 
1 1 1 -10 25 8  o 46.97668 5.098031  -5.089062      10.19606 
1 1 1 -10 25 9  o 32.18412 5.511682  -13.58000      11.02336 
1 1 1 -10 25 10 o 18.47856 5.232241  1.658342       10.46448 
1 1 1 -10 25 11 o 32.41125 8.075697  ?              ?        
1 1 1 -10 25 12 f 30.05744 5.462339  16.24790       10.92468 
1 1 1 -10 25 13 o 17.29330 5.118928  -6.209533      10.23786 
1 1 1 -10 25 14 o 19.96249 5.195228  7.430895       10.39046 
1 1 1 -10 25 15 o 35.93546 5.504953  2.688210       11.00991 
1 1 1 -10 25 16 o 18.33726 7.899462  ?              ?        
1 1 1 -10 25 17 x ?        ?         ?              ?        
1 1 1 -10 25 18 x ?        ?         ?              ?        
1 1 1 -10 25 19 x ?        ?         ?              ?        
1 1 1 -10 26 1  o 11.83436 5.534854  ?              ?        
1 1 1 -10 26 2  o 22.48753 7.297273  ?              ?        
1 1 1 -10 26 3  o 39.66166 5.931746  ?              ?        
1 1 1 -10 26 4  o 26.45969 7.571269  ?              ?        
1 1 1 -10 26 5  o 22.26032 7.921105  ?              ?        
1 1 1 -10 26 6  o 22.63782 7.798142  ?              ?        
1 1 1 -10 26 7  o 39.50170 5.892665  ?              ?        
1 1 1 -10 26 8  o 42.42404 4.345055  4.895542       8.690109 
1 1 1 -10 26 9  o 26.37586 5.238087  3.071236       10.47617 
1 1 1 -10 26 10 o 18.97444 7.334344  ?              ?        
1 1 1 -10 26 11 o 30.85341 7.469969  ?              ?        
1 1 1 -10 26 12 o 25.40944 7.458337  ?              ?        
1 1 1 -10 26 13 x ?        ?         ?              ?        
1 1 1 -10 26 14 x ?        ?         ?              ?        
1 1 1 -10 26 15 x ?        ?         ?              ?        
1 1 1 -10 26 16 x ?        ?         ?              ?        
1 1 1 -10 26 17 x ?        ?         ?              ?        
1 1 1 -10 27 1  o 9.946618 4.757549  ?              ?        
1 1 1 -10 27 2  o 35.52740 5.668174  ?              ?        
1 1 1 -10 27 3  o 14.52215 6.153753  ?              ?        
1 1 1 -10 27 4  o 15.79408 6.247527  ?              ?        
1 1 1 -10 27 5  x ?        ?         ?              ?        
1 1 1 -10 27 6  x ?        ?         ?              ?        
1 1 1 -10 27 7  x ?        ?         ?              ?        
1 1 1 -10 27 8  x ?        ?         ?              ?        
1 1 1 -10 27 9  x ?        ?         ?              ?        
1 1 1 -10 27 10 x ?        ?         ?              ?        
1 1 1 -10 27 11 x ?        ?         ?              ?        
1 1 1 -10 27 12 x ?        ?         ?              ?        
1 1 1 -10 27 13 x ?        ?         ?              ?        
1 1 1 -10 27 14 x ?        ?         ?              ?        
1 1 1 -10 28 1  x ?        ?         ?              ?        
1 1 1 -10 28 2  x ?        ?         ?              ?        
1 1 1 -10 28 3  x ?        ?         ?              ?        
1 1 1 -10 28 4  x ?        ?         ?              ?        
1 1 1 -10 28 5  x ?        ?         ?              ?        
1 1 1 -10 28 6  x ?        ?         ?              ?        
1 1 1 -10 28 7  x ?        ?         ?              ?        
1 1 1 -10 28 8  x ?        ?         ?              ?        
1 1 1 -10 28 9  x ?        ?         ?              ?        
1 1 1 -10 28 10 x ?        ?         ?              ?        
1 1 1 -9  0  1  x ?        ?         ?              ?        
1 1 1 -9  0  2  o 74.14254 1.999196  0.000000       0.000000 
1 1 1 -9  0  3  o 168.2308 2.392618  0.000000       0.000000 
1 1 1 -9  0  4  o 195.0657 2.723178  0.000000       0.000000 
1 1 1 -9  0  5  o 91.38544 1.567317  0.000000       0.000000 
1 1 1 -9  0  6  o 106.0496 1.719181  0.000000       0.000000 
1 1 1 -9  0  7  o 62.62843 1.425245  0.000000       0.000000 
1 1 1 -9  0  8  o 94.32141 1.642793  0.000000       0.000000 
1 1 1 -9  0  9  o 142.1275 2.149756  0.000000       0.000000 
1 1 1 -9  0  10 o 148.3175 2.242540  0.000000       0.000000 
1 1 1 -9  0  11 o 289.8393 5.661590  0.000000       0.000000 
1 1 1 -9  0  12 o 24.02998 3.514800  0.000000       0.000000 
1 1 1 -9  0  13 o 33.71675 2.253721  0.000000       0.000000 
1 1 1 -9  0  14 o 61.72045 1.896532  0.000000       0.000000 
1 1 1 -9  0  15 o 392.9644 5.329559  0.000000       0.000000 
1 1 1 -9  0  16 o 289.7881 4.041494  0.000000       0.000000 
1 1 1 -9  0  17 o 82.61308 2.139929  0.000000       0.000000 
1 1 1 -9  0  18 o 66.97319 2.290076  0.000000       0.000000 
1 1 1 -9  0  19 o 241.6857 5.145003  0.000000       0.000000 
1 1 1 -9  0  20 o 38.09239 2.909855  0.000000       0.000000 
1 1 1 -9  0  21 o 142.1741 3.407548  0.000000       0.000000 
1 1 1 -9  0  22 o 342.3789 4.823210  -0.000000      0.000000 
1 1 1 -9  0  23 o 72.48161 2.288904  0.000000       0.000000 
1 1 1 -9  0  24 o 141.1700 2.618093  0.000000       0.000000 
1 1 1 -9  0  25 o 17.80060 6.182804  0.000000       0.000000 
1 1 1 -9  0  26 o 65.94344 2.609797  -0.000000      0.000000 
1 1 1 -9  0  27 o 49.28743 5.865470  0.000000       0.000000 
1 1 1 -9  0  28 o 34.62394 4.475171  0.000000       0.000000 
1 1 1 -9  0  29 o 9.306272 6.311045  0.000000       0.000000 
1 1 1 -9  0  30 o 64.95995 3.161603  0.000000       0.000000 
1 1 1 -9  0  31 o 10.32594 6.466058  0.000000       0.000000 
1 1 1 -9  0  32 o 31.05680 5.310400  0.000000       0.000000 
1 1 1 -9  0  33 o 41.28944 4.000772  0.000000       0.000000 
1 1 1 -9  0  34 f 20.19484 7.349813  0.000000       0.000000 
1 1 1 -9  0  35 o 37.80283 4.441669  0.000000       0.000000 
1 1 1 -9  0  36 o 20.21831 9.777936  0.000000       0.000000 
1 1 1 -9  0  37 o 35.21713 4.545236  0.000000       0.000000 
1 1 1 -9  1  1  o 191.4699 1.913249  -8.568771      3.826497 
1 1 1 -9  1  2  o 163.2447 2.361668  -5.033707      4.723336 
1 1 1 -9  1  3  o 216.2654 2.133365  -10.23485      4.266731 
1 1 1 -9  1  4  o 306.1199 2.939867  -8.521698      5.879734 
1 1 1 -9  1  5  o 178.3438 1.815846  1.114182       3.631691 
1 1 1 -9  1  6  o 138.3802 1.500964  8.487747       3.001928 
1 1 1 -9  1  7  o 100.6710 1.235294  3.746689       2.470589 
1 1 1 -9  1  8  o 10.69664 2.341458  -4.408059      4.682917 
1 1 1 -9  1  9  o 125.5920 2.056282  7.457672       4.112563 
1 1 1 -9  1  10 o 179.2451 1.847952  2.829086       3.695904 
1 1 1 -9  1  11 f 418.0893 5.654693  15.59473       11.30939 
1 1 1 -9  1  12 o 137.1649 2.149689  -0.7260437     4.299379 
1 1 1 -9  1  13 o 186.3533 2.846303  ?              ?        
1 1 1 -9  1  14 o 160.7881 1.774728  -2.610367      3.549455 
1 1 1 -9  1  15 o 301.7797 2.962531  2.558258       5.925062 
1 1 1 -9  1  16 o 365.4498 3.541757  9.079010       7.083514 
1 1 1 -9  1  17 o 75.04092 1.556557  -6.404007      3.113114 
1 1 1 -9  1  18 o 184.0221 2.030373  6.522690       4.060746 
1 1 1 -9  1  19 o 201.1511 2.715435  -15.78403      5.430870 
1 1 1 -9  1  20 o 79.35625 1.578945  1.037354       3.157891 
1 1 1 -9  1  21 o 169.3180 3.856844  ?              ?        
1 1 1 -9  1  22 f 81.41242 1.593569  -0.2935638     3.187138 
1 1 1 -9  1  23 o 68.35015 1.629019  -5.514542      3.258038 
1 1 1 -9  1  24 o 22.55851 3.122188  -3.333654      6.244376 
1 1 1 -9  1  25 o 77.14507 1.749446  1.827118       3.498892 
1 1 1 -9  1  26 f 18.44034 3.785048  -5.944344      7.570097 
1 1 1 -9  1  27 o 122.4364 3.039759  -6.455025      6.079518 
1 1 1 -9  1  28 o 117.9573 1.987788  0.1631851      3.975576 
1 1 1 -9  1  29 o 34.70363 4.013687  -7.083729      8.027374 
1 1 1 -9  1  30 o 45.48516 2.743534  -2.732681      5.487068 
1 1 1 -9  1  31 o 81.42891 2.121041  1.769722       4.242083 
1 1 1 -9  1  32 o 40.82266 2.915458  -13.71961      5.830916 
1 1 1 -9  1  33 o 49.71840 2.509102  2.287636       5.018203 
1 1 1 -9  1  34 o 34.80526 3.187529  0.2782249      6.375059 
1 1 1 -9  1  35 o 30.78610 3.755138  -6.921150      7.510275 
1 1 1 -9  1  36 o 12.89794 4.335113  -3.862745      8.670225 
1 1 1 -9  1  37 o 11.29794 3.596399  -2.773026      7.192798 
1 1 1 -9  2  1  o 188.3116 2.407301  -6.346664      4.814602 
1 1 1 -9  2  2  o 151.5009 2.051711  -5.801743      4.103422 
1 1 1 -9  2  3  o 404.5176 3.876510  -12.76315      7.753019 
1 1 1 -9  2  4  o 11.27802 2.688264  0.2968855      5.376528 
1 1 1 -9  2  5  o 38.61729 1.392164  -9.820175      2.784328 
1 1 1 -9  2  6  o 316.5753 3.080671  5.395630       6.161341 
1 1 1 -9  2  7  o 181.5066 1.916285  6.903061       3.832570 
1 1 1 -9  2  8  o 95.15344 1.310788  3.476654       2.621575 
1 1 1 -9  2  9  o 38.65403 2.019810  0.4531746      4.039620 
1 1 1 -9  2  10 o 180.2625 1.910964  -5.020599      3.821928 
1 1 1 -9  2  11 o 91.50078 1.995439  -15.47054      3.990878 
1 1 1 -9  2  12 o 338.3225 3.291822  -11.31299      6.583645 
1 1 1 -9  2  13 o 168.4618 1.848661  -5.878357      3.697323 
1 1 1 -9  2  14 o 207.3577 2.169900  -0.2288513     4.339799 
1 1 1 -9  2  15 o 32.25134 2.470176  -5.609447      4.940351 
1 1 1 -9  2  16 o 123.9519 1.675254  2.485458       3.350508 
1 1 1 -9  2  17 o 239.5957 2.473561  8.453308       4.947121 
1 1 1 -9  2  18 o 132.7519 2.118924  -1.652679      4.237849 
1 1 1 -9  2  19 o 117.2558 2.625154  ?              ?        
1 1 1 -9  2  20 o 93.24947 1.627596  6.423141       3.255192 
1 1 1 -9  2  21 o 119.8537 2.408645  -7.339073      4.817290 
1 1 1 -9  2  22 o 159.6046 1.950268  -9.801773      3.900537 
1 1 1 -9  2  23 o 124.9567 1.756323  -0.3715820     3.512647 
1 1 1 -9  2  24 o 136.7873 1.844912  -5.762650      3.689824 
1 1 1 -9  2  25 o 53.59771 1.902323  5.768536       3.804646 
1 1 1 -9  2  26 o 78.32869 1.796485  6.913139       3.592970 
1 1 1 -9  2  27 o 61.15524 3.537324  -12.17681      7.074648 
1 1 1 -9  2  28 o 24.57899 4.134668  -0.1818275     8.269336 
1 1 1 -9  2  29 o 56.84178 2.684420  -13.11205      5.368840 
1 1 1 -9  2  30 o 34.95461 3.522337  -5.918703      7.044674 
1 1 1 -9  2  31 o 49.64489 4.120933  ?              ?        
1 1 1 -9  2  32 o 25.03368 4.147709  -5.022881      8.295419 
1 1 1 -9  2  33 o 81.44855 3.276539  ?              ?        
1 1 1 -9  2  34 o 26.24390 4.960021  3.794054       9.920042 
1 1 1 -9  2  35 o 23.39725 4.179206  9.010015       8.358412 
1 1 1 -9  2  36 o 26.82291 5.572413  -13.94773      11.14483 
1 1 1 -9  2  37 o 11.33296 3.663309  0.7526274      7.326618 
1 1 1 -9  3  1  o 218.4338 4.446115  ?              ?        
1 1 1 -9  3  2  o 306.3097 3.025329  -4.387543      6.050658 
1 1 1 -9  3  3  f 37.20818 1.608929  -2.836342      3.217857 
1 1 1 -9  3  4  o 348.1670 3.397936  3.669250       6.795872 
1 1 1 -9  3  5  o 160.2546 1.820226  2.633347       3.640453 
1 1 1 -9  3  6  o 287.7229 2.869472  -12.54013      5.738945 
1 1 1 -9  3  7  o 152.0868 1.764929  -1.331039      3.529859 
1 1 1 -9  3  8  o 339.9396 3.325113  0.3536987E-01  6.650225 
1 1 1 -9  3  9  o 137.8730 2.346726  -0.9118195     4.693452 
1 1 1 -9  3  10 o 165.6028 1.877050  1.736603       3.754101 
1 1 1 -9  3  11 x ?        ?         ?              ?        
1 1 1 -9  3  12 o 223.7284 2.762687  7.163422       5.525374 
1 1 1 -9  3  13 o 181.8176 2.003989  -0.2797852     4.007978 
1 1 1 -9  3  14 o 240.8021 2.491614  -1.665085      4.983228 
1 1 1 -9  3  15 o 133.2080 1.759565  3.382767       3.519130 
1 1 1 -9  3  16 o 157.3984 1.899021  0.4062958      3.798042 
1 1 1 -9  3  17 o 172.6939 2.025070  2.805847       4.050140 
1 1 1 -9  3  18 o 65.56818 2.899952  -14.64096      5.799903 
1 1 1 -9  3  19 o 128.3201 1.784343  0.9089050      3.568686 
1 1 1 -9  3  20 o 40.69284 3.123161  0.9995689      6.246323 
1 1 1 -9  3  21 o 43.17874 2.896560  1.954506       5.793120 
1 1 1 -9  3  22 f 143.0578 1.892183  -2.210846      3.784366 
1 1 1 -9  3  23 o 29.25239 2.673805  5.444920       5.347610 
1 1 1 -9  3  24 o 66.26860 1.809554  3.173035       3.619107 
1 1 1 -9  3  25 o 66.21890 1.880275  0.1495590      3.760551 
1 1 1 -9  3  26 o 22.30437 3.731557  -10.21104      7.463113 
1 1 1 -9  3  27 o 108.1355 2.663689  1.023468       5.327377 
1 1 1 -9  3  28 o 38.69523 3.622808  3.480602       7.245615 
1 1 1 -9  3  29 o 76.79849 2.189799  -9.820900      4.379598 
1 1 1 -9  3  30 o 61.29283 2.402581  -7.412003      4.805161 
1 1 1 -9  3  31 o 77.58790 3.503778  ?              ?        
1 1 1 -9  3  32 o 11.98527 3.750726  -3.840529      7.501452 
1 1 1 -9  3  33 o 24.42906 4.251098  -3.721273      8.502195 
1 1 1 -9  3  34 o 15.55533 4.809280  -2.014014      9.618560 
1 1 1 -9  3  35 o 17.32571 4.456461  -3.880587      8.912923 
1 1 1 -9  3  36 o 14.60660 4.649003  -7.672211      9.298006 
1 1 1 -9  3  37 o 20.04197 4.613329  -3.461477      9.226658 
1 1 1 -9  4  1  o 297.4949 4.197747  -2.093994      8.395494 
1 1 1 -9  4  2  o 99.07091 2.074965  ?              ?        
1 1 1 -9  4  3  o 269.0800 2.746634  5.542358       5.493268 
1 1 1 -9  4  4  o 129.2041 1.702276  -8.373352      3.404552 
1 1 1 -9  4  5  o 329.0731 3.266955  -4.507965      6.533910 
1 1 1 -9  4  6  o 233.8687 2.452352  -2.012573      4.904704 
1 1 1 -9  4  7  o 211.4526 2.279453  -1.916382      4.558906 
1 1 1 -9  4  8  o 161.8447 2.685845  8.022507       5.371689 
1 1 1 -9  4  9  o 424.6705 4.117584  5.768066       8.235168 
1 1 1 -9  4  10 o 85.30341 2.305012  3.634529       4.610023 
1 1 1 -9  4  11 o 241.3980 3.560447  2.544861       7.120895 
1 1 1 -9  4  12 f 359.0115 4.182300  21.36972       8.364599 
1 1 1 -9  4  13 o 101.4000 1.689126  4.934372       3.378252 
1 1 1 -9  4  14 o 130.8672 1.822347  -0.6422272     3.644695 
1 1 1 -9  4  15 o 233.2068 2.501079  -3.237366      5.002158 
1 1 1 -9  4  16 o 150.1315 1.943671  4.864136       3.887342 
1 1 1 -9  4  17 o 124.1332 1.833170  3.774620       3.666340 
1 1 1 -9  4  18 o 106.1570 2.438631  -3.477913      4.877262 
1 1 1 -9  4  19 o 55.75586 2.037449  4.752968       4.074899 
1 1 1 -9  4  20 o 77.43426 2.571990  -9.662964      5.143981 
1 1 1 -9  4  21 o 95.33379 2.358447  4.214432       4.716895 
1 1 1 -9  4  22 o 61.27654 2.015649  -5.035446      4.031298 
1 1 1 -9  4  23 o 148.7464 1.967822  -4.073883      3.935644 
1 1 1 -9  4  24 o 75.39295 1.852439  5.078644       3.704877 
1 1 1 -9  4  25 o 65.95746 1.982972  -1.746445      3.965945 
1 1 1 -9  4  26 o 81.21700 2.314514  7.775635       4.629028 
1 1 1 -9  4  27 o 94.24939 2.036499  -6.092003      4.072997 
1 1 1 -9  4  28 o 65.48085 2.989860  -0.5006409     5.979720 
1 1 1 -9  4  29 o 49.48432 2.805364  3.454357       5.610728 
1 1 1 -9  4  30 o 74.61635 2.301661  -7.095757      4.603323 
1 1 1 -9  4  31 o 83.64160 2.233945  -6.198723      4.467890 
1 1 1 -9  4  32 o 16.39377 4.340375  -2.691548      8.680750 
1 1 1 -9  4  33 o 34.28561 3.344151  -1.891346      6.688302 
1 1 1 -9  4  34 o 31.69433 4.416342  -21.17268      8.832685 
1 1 1 -9  4  35 o 11.45561 3.862031  1.316013       7.724061 
1 1 1 -9  4  36 o 21.33041 5.467013  -5.245924      10.93403 
1 1 1 -9  5  1  o 344.8890 4.813899  -4.605591      9.627798 
1 1 1 -9  5  2  o 129.5022 2.223329  2.023407       4.446658 
1 1 1 -9  5  3  o 89.00146 1.615299  -0.3713989     3.230597 
1 1 1 -9  5  4  o 252.1783 2.660256  4.190079       5.320511 
1 1 1 -9  5  5  o 200.3062 2.250716  -1.154495      4.501432 
1 1 1 -9  5  6  o 265.3210 2.765163  -4.185181      5.530326 
1 1 1 -9  5  7  o 161.8420 2.773758  -3.706085      5.547515 
1 1 1 -9  5  8  o 315.0456 3.200501  16.46942       6.401003 
1 1 1 -9  5  9  o 151.2090 1.940269  1.985123       3.880537 
1 1 1 -9  5  10 o 272.1873 5.613166  ?              ?        
1 1 1 -9  5  11 o 374.6891 5.238318  15.59863       10.47664 
1 1 1 -9  5  12 f 250.9359 3.166796  8.491714       6.333593 
1 1 1 -9  5  13 o 331.8328 3.352925  4.762482       6.705851 
1 1 1 -9  5  14 o 190.5824 2.245973  1.599579       4.491945 
1 1 1 -9  5  15 o 151.5297 2.042348  -2.518951      4.084696 
1 1 1 -9  5  16 o 314.7582 3.217122  -5.506927      6.434244 
1 1 1 -9  5  17 o 111.8707 2.701212  -2.094559      5.402425 
1 1 1 -9  5  18 o 159.8732 2.067100  1.220184       4.134201 
1 1 1 -9  5  19 o 129.6669 2.457227  7.127220       4.914454 
1 1 1 -9  5  20 o 125.1153 2.386896  -12.13302      4.773792 
1 1 1 -9  5  21 o 64.45834 2.549038  3.500416       5.098075 
1 1 1 -9  5  22 o 160.3602 2.098852  4.343826       4.197704 
1 1 1 -9  5  23 o 113.5541 1.897326  5.134384       3.794652 
1 1 1 -9  5  24 o 45.28453 2.311048  10.46358       4.622096 
1 1 1 -9  5  25 o 41.47052 2.741143  -3.816803      5.482285 
1 1 1 -9  5  26 o 97.58540 2.915112  -1.201805      5.830225 
1 1 1 -9  5  27 o 84.25084 2.167965  2.699806       4.335931 
1 1 1 -9  5  28 o 66.43166 2.697774  -2.699966      5.395548 
1 1 1 -9  5  29 o 66.88972 2.447503  0.5178757      4.895006 
1 1 1 -9  5  30 o 17.07301 4.264943  -6.695159      8.529885 
1 1 1 -9  5  31 o 39.68301 3.262658  -5.693417      6.525317 
1 1 1 -9  5  32 o 61.97428 2.424760  -9.080185      4.849519 
1 1 1 -9  5  33 o 40.34461 3.737994  -5.464504      7.475988 
1 1 1 -9  5  34 o 24.07398 4.664014  -5.781113      9.328028 
1 1 1 -9  5  35 o 18.12491 4.766850  -6.726108      9.533701 
1 1 1 -9  5  36 o 13.78029 4.286111  -0.4506636     8.572222 
1 1 1 -9  6  1  o 99.85101 2.258835  4.682663       4.517670 
1 1 1 -9  6  2  o 109.0887 3.601725  ?              ?        
1 1 1 -9  6  3  o 17.90269 3.840035  6.974037       7.680069 
1 1 1 -9  6  4  o 140.1065 1.928553  8.284683       3.857105 
1 1 1 -9  6  5  o 138.6718 1.938368  5.627899       3.876736 
1 1 1 -9  6  6  o 272.5043 4.037969  12.80075       8.075938 
1 1 1 -9  6  7  f 243.1422 2.650431  -2.157257      5.300863 
1 1 1 -9  6  8  o 136.6439 1.969124  -0.3533783     3.938247 
1 1 1 -9  6  9  o 167.0643 3.055160  5.917465       6.110320 
1 1 1 -9  6  10 o 79.02232 2.284097  -10.19770      4.568194 
1 1 1 -9  6  11 o 47.96542 2.930071  2.086639       5.860142 
1 1 1 -9  6  12 o 155.4946 2.471817  3.531601       4.943633 
1 1 1 -9  6  13 o 236.4120 2.635442  6.479782       5.270884 
1 1 1 -9  6  14 o 112.3657 2.009354  5.779373       4.018708 
1 1 1 -9  6  15 o 154.2954 2.116568  -1.139679      4.233136 
1 1 1 -9  6  16 o 148.4433 2.407134  3.423965       4.814269 
1 1 1 -9  6  17 o 149.8329 2.182611  0.9494781      4.365221 
1 1 1 -9  6  18 o 215.5782 2.508634  -3.948135      5.017268 
1 1 1 -9  6  19 o 163.1094 2.642565  2.512527       5.285130 
1 1 1 -9  6  20 o 48.82122 3.101716  15.97954       6.203432 
1 1 1 -9  6  21 f 47.65458 3.302878  -2.812782      6.605757 
1 1 1 -9  6  22 o 129.4698 2.036179  1.900055       4.072357 
1 1 1 -9  6  23 o 66.08124 2.070901  8.167660       4.141802 
1 1 1 -9  6  24 o 73.20024 2.081833  4.719887       4.163666 
1 1 1 -9  6  25 o 53.93604 2.692250  -7.475796      5.384500 
1 1 1 -9  6  26 o 46.44276 3.954390  -2.827660      7.908781 
1 1 1 -9  6  27 f 35.49644 4.934814  -14.28978      9.869628 
1 1 1 -9  6  28 o 33.13844 4.581067  11.14450       9.162134 
1 1 1 -9  6  29 o 22.96380 4.672638  -0.3236141     9.345276 
1 1 1 -9  6  30 o 11.12238 3.724891  1.113048       7.449783 
1 1 1 -9  6  31 o 63.50121 2.681015  -18.70667      5.362031 
1 1 1 -9  6  32 o 34.25140 3.631094  -5.872454      7.262187 
1 1 1 -9  6  33 o 37.17579 3.884483  -17.37849      7.768965 
1 1 1 -9  6  34 o 12.67114 5.601620  ?              ?        
1 1 1 -9  6  35 o 23.36149 5.367987  -20.10238      10.73597 
1 1 1 -9  6  36 o 11.60457 3.775084  -0.3091450     7.550167 
1 1 1 -9  7  1  o 148.4000 2.413875  4.344009       4.827751 
1 1 1 -9  7  2  o 394.6197 7.943297  ?              ?        
1 1 1 -9  7  3  o 80.29265 2.138434  2.613976       4.276868 
1 1 1 -9  7  4  o 30.40823 3.372331  -5.321112      6.744662 
1 1 1 -9  7  5  o 136.8312 2.782990  4.013947       5.565980 
1 1 1 -9  7  6  o 161.5702 2.142737  -5.323639      4.285475 
1 1 1 -9  7  7  o 413.1177 5.000260  4.644501       10.00052 
1 1 1 -9  7  8  o 90.82758 1.964549  1.745148       3.929098 
1 1 1 -9  7  9  o 287.4021 3.054030  4.918823       6.108061 
1 1 1 -9  7  10 o 284.6655 3.781737  14.10312       7.563475 
1 1 1 -9  7  11 o 126.3782 2.523988  -1.952011      5.047977 
1 1 1 -9  7  12 o 107.8038 2.391613  1.954720       4.783226 
1 1 1 -9  7  13 o 204.7660 2.478531  -4.902664      4.957062 
1 1 1 -9  7  14 o 191.2945 2.410050  0.4312897      4.820101 
1 1 1 -9  7  15 o 171.9639 2.643507  6.787781       5.287015 
1 1 1 -9  7  16 o 176.0129 2.920864  4.522751       5.841728 
1 1 1 -9  7  17 f 174.1096 2.303647  2.420685       4.607293 
1 1 1 -9  7  18 o 95.03349 3.128114  -5.585052      6.256229 
1 1 1 -9  7  19 o 79.28008 2.146922  0.1074371      4.293845 
1 1 1 -9  7  20 o 53.00916 3.647830  -0.1572876     7.295660 
1 1 1 -9  7  21 o 63.74577 2.275589  1.322418       4.551178 
1 1 1 -9  7  22 o 91.74496 2.099055  -2.625610      4.198111 
1 1 1 -9  7  23 o 35.49321 3.465358  -5.436840      6.930717 
1 1 1 -9  7  24 o 136.8583 2.164212  0.6660156      4.328424 
1 1 1 -9  7  25 o 74.62239 3.261798  -15.93066      6.523596 
1 1 1 -9  7  26 o 96.17673 2.235235  -3.629578      4.470470 
1 1 1 -9  7  27 o 78.99050 2.848898  -5.946930      5.697795 
1 1 1 -9  7  28 o 61.73014 2.702973  -4.756397      5.405947 
1 1 1 -9  7  29 o 39.03912 3.737220  -4.785057      7.474440 
1 1 1 -9  7  30 o 45.51578 3.275379  -15.02318      6.550758 
1 1 1 -9  7  31 o 84.46854 2.420753  -19.42569      4.841507 
1 1 1 -9  7  32 o 16.61820 4.755170  -0.6528454     9.510341 
1 1 1 -9  7  33 o 23.21515 4.850019  -2.935572      9.700039 
1 1 1 -9  7  34 o 29.20809 4.727959  -5.956337      9.455917 
1 1 1 -9  7  35 o 16.55642 5.122838  -7.160529      10.24568 
1 1 1 -9  7  36 o 23.25314 4.617513  -14.87875      9.235026 
1 1 1 -9  8  1  o 155.7166 2.868541  -15.17363      5.737081 
1 1 1 -9  8  2  o 248.7824 3.340882  -3.627548      6.681765 
1 1 1 -9  8  3  o 127.8765 2.874775  -5.585983      5.749549 
1 1 1 -9  8  4  o 76.78065 2.359927  1.358856       4.719855 
1 1 1 -9  8  5  o 115.9662 2.681448  -8.467003      5.362895 
1 1 1 -9  8  6  o 185.1948 3.228337  ?              ?        
1 1 1 -9  8  7  o 254.5169 3.469261  5.690475       6.938521 
1 1 1 -9  8  8  o 150.0059 2.192017  7.782013       4.384033 
1 1 1 -9  8  9  o 243.7628 2.781867  3.741821       5.563733 
1 1 1 -9  8  10 o 249.4671 3.441852  0.7247467      6.883704 
1 1 1 -9  8  11 o 119.2358 2.590133  1.118156       5.180266 
1 1 1 -9  8  12 o 186.5731 2.910336  -2.038925      5.820673 
1 1 1 -9  8  13 o 194.1389 2.491473  -1.363861      4.982947 
1 1 1 -9  8  14 o 183.2226 2.888286  -1.373459      5.776571 
1 1 1 -9  8  15 o 242.3176 3.423665  -3.220703      6.847331 
1 1 1 -9  8  16 o 83.56423 2.280092  -1.381287      4.560184 
1 1 1 -9  8  17 o 210.2220 3.709830  3.832245       7.419659 
1 1 1 -9  8  18 o 14.69872 4.252741  0.9027901      8.505483 
1 1 1 -9  8  19 o 65.20255 2.346741  -0.6412125     4.693482 
1 1 1 -9  8  20 o 67.75050 3.352676  8.052868       6.705353 
1 1 1 -9  8  21 o 103.7812 2.158171  -4.657928      4.316342 
1 1 1 -9  8  22 o 35.68246 3.581524  -0.9383545     7.163047 
1 1 1 -9  8  23 o 87.44220 2.235567  5.005096       4.471134 
1 1 1 -9  8  24 o 88.98825 2.421185  0.1986618      4.842370 
1 1 1 -9  8  25 o 93.95601 2.270064  -0.3926697     4.540128 
1 1 1 -9  8  26 o 51.02271 4.200846  -4.483601      8.401692 
1 1 1 -9  8  27 o 83.10894 2.513942  9.164703       5.027885 
1 1 1 -9  8  28 o 44.13581 3.913314  -10.48349      7.826628 
1 1 1 -9  8  29 o 73.55875 2.589582  -9.533585      5.179164 
1 1 1 -9  8  30 o 77.92801 2.552743  -9.207741      5.105486 
1 1 1 -9  8  31 o 56.54471 3.091925  -26.87114      6.183850 
1 1 1 -9  8  32 o 20.02008 4.953616  -12.08387      9.907232 
1 1 1 -9  8  33 o 44.20598 3.028920  -16.40318      6.057839 
1 1 1 -9  8  34 o 17.83933 7.310168  ?              ?        
1 1 1 -9  8  35 o 19.24981 4.517061  -18.73207      9.034122 
1 1 1 -9  9  1  o 585.1743 11.35762  ?              ?        
1 1 1 -9  9  2  o 256.6787 3.966061  8.032547       7.932122 
1 1 1 -9  9  3  o 355.5809 5.126105  5.140411       10.25221 
1 1 1 -9  9  4  o 124.2272 2.946474  ?              ?        
1 1 1 -9  9  5  o 261.3184 3.536350  -0.4221191     7.072699 
1 1 1 -9  9  6  o 196.0178 3.010517  4.941330       6.021034 
1 1 1 -9  9  7  o 305.4097 3.934627  -7.779877      7.869254 
1 1 1 -9  9  8  o 306.7993 4.051885  9.038483       8.103769 
1 1 1 -9  9  9  o 167.9123 2.851022  5.707184       5.702044 
1 1 1 -9  9  10 o 167.2608 2.868153  -1.713409      5.736306 
1 1 1 -9  9  11 o 97.25580 2.424065  2.324547       4.848130 
1 1 1 -9  9  12 o 69.44682 3.065156  -7.301941      6.130312 
1 1 1 -9  9  13 o 233.6525 3.863773  -1.142319      7.727547 
1 1 1 -9  9  14 o 114.9758 2.323614  0.6244202      4.647229 
1 1 1 -9  9  15 o 79.17708 2.457540  -4.962517      4.915080 
1 1 1 -9  9  16 o 84.94686 3.470960  2.670776       6.941920 
1 1 1 -9  9  17 o 115.1063 2.244166  5.342491       4.488331 
1 1 1 -9  9  18 o 153.1285 2.342986  -2.681427      4.685972 
1 1 1 -9  9  19 o 20.40350 4.707124  1.218693       9.414248 
1 1 1 -9  9  20 o 118.4283 2.261935  0.3409119      4.523869 
1 1 1 -9  9  21 o 143.5657 2.330850  -2.646729      4.661699 
1 1 1 -9  9  22 o 45.35210 3.093688  7.001289       6.187375 
1 1 1 -9  9  23 o 53.05711 3.015755  10.52784       6.031510 
1 1 1 -9  9  24 o 43.92364 3.304386  11.86120       6.608771 
1 1 1 -9  9  25 f 25.06463 4.927800  -8.515707      9.855600 
1 1 1 -9  9  26 f 87.53044 3.085831  3.851006       6.171662 
1 1 1 -9  9  27 o 59.82751 2.966382  0.9070206      5.932765 
1 1 1 -9  9  28 o 78.87863 2.605470  -7.424858      5.210939 
1 1 1 -9  9  29 o 24.37478 4.520727  21.61364       9.041454 
1 1 1 -9  9  30 o 56.29945 2.856704  -15.78642      5.713408 
1 1 1 -9  9  31 o 20.29793 4.676875  -15.87373      9.353750 
1 1 1 -9  9  32 o 38.26995 4.266469  -11.10490      8.532939 
1 1 1 -9  9  33 o 12.65611 3.989224  -2.275193      7.978448 
1 1 1 -9  9  34 o 10.98775 3.842238  -5.241705      7.684475 
1 1 1 -9  9  35 o 28.40392 4.335109  -18.23733      8.670218 
1 1 1 -9  10 1  o 129.2064 2.933288  5.051186       5.866575 
1 1 1 -9  10 2  o 184.7501 4.592468  ?              ?        
1 1 1 -9  10 3  o 126.1821 2.968788  5.413582       5.937575 
1 1 1 -9  10 4  o 255.5535 3.582177  11.08652       7.164354 
1 1 1 -9  10 5  o 149.7326 2.775683  1.891769       5.551366 
1 1 1 -9  10 6  o 209.5193 3.163982  -1.464417      6.327964 
1 1 1 -9  10 7  o 141.4652 2.826093  7.883087       5.652185 
1 1 1 -9  10 8  f 81.35504 2.988363  -0.4767685     5.976725 
1 1 1 -9  10 9  o 120.6470 2.778443  -4.145004      5.556886 
1 1 1 -9  10 10 o 203.9306 3.228646  4.959427       6.457293 
1 1 1 -9  10 11 o 92.77785 2.934806  -2.209068      5.869612 
1 1 1 -9  10 12 o 88.95956 3.336568  9.862778       6.673136 
1 1 1 -9  10 13 o 108.4010 2.399002  -0.3993073     4.798005 
1 1 1 -9  10 14 o 135.1966 3.188530  10.24709       6.377061 
1 1 1 -9  10 15 o 70.95358 3.161387  -18.32325      6.322775 
1 1 1 -9  10 16 o 28.50951 4.617235  1.926586       9.234469 
1 1 1 -9  10 17 o 134.3795 2.349518  7.401199       4.699036 
1 1 1 -9  10 18 o 46.29012 3.141562  0.1447525      6.283124 
1 1 1 -9  10 19 o 89.68787 2.334757  4.188873       4.669514 
1 1 1 -9  10 20 o 140.3167 2.357124  -3.026764      4.714247 
1 1 1 -9  10 21 o 88.76873 2.426911  -7.356079      4.853822 
1 1 1 -9  10 22 o 99.95699 2.620623  5.974419       5.241245 
1 1 1 -9  10 23 o 39.53084 4.757611  5.385593       9.515222 
1 1 1 -9  10 24 o 91.07232 3.366105  -0.2381897     6.732211 
1 1 1 -9  10 25 o 25.29819 6.014862  -9.994421      12.02972 
1 1 1 -9  10 26 o 27.40704 4.890794  -6.948931      9.781589 
1 1 1 -9  10 27 o 59.35865 3.235439  -11.41160      6.470879 
1 1 1 -9  10 28 o 49.06733 3.535432  -13.82832      7.070863 
1 1 1 -9  10 29 o 46.92442 3.343000  -14.74891      6.685999 
1 1 1 -9  10 30 o 12.41700 4.043571  1.899431       8.087141 
1 1 1 -9  10 31 o 28.32908 4.457287  -10.04410      8.914575 
1 1 1 -9  10 32 o 33.00465 4.635186  -22.33591      9.270372 
1 1 1 -9  10 33 o 15.88629 4.394017  -15.49748      8.788034 
1 1 1 -9  10 34 o 26.20603 4.020337  -24.92163      8.040673 
1 1 1 -9  10 35 o 12.28023 4.167293  -4.138107      8.334585 
1 1 1 -9  11 1  o 159.8548 3.184718  5.235565       6.369436 
1 1 1 -9  11 2  o 58.97219 3.809901  25.84573       7.619801 
1 1 1 -9  11 3  o 163.8301 3.289857  1.257416       6.579715 
1 1 1 -9  11 4  o 236.9518 3.922348  4.776215       7.844696 
1 1 1 -9  11 5  o 278.4520 3.848507  8.100372       7.697013 
1 1 1 -9  11 6  o 161.7740 2.936710  -4.089355      5.873419 
1 1 1 -9  11 7  o 45.47110 4.361074  3.423252       8.722148 
1 1 1 -9  11 8  o 110.7898 2.945855  0.4415588      5.891710 
1 1 1 -9  11 9  o 106.0638 2.950674  5.880875       5.901347 
1 1 1 -9  11 10 o 153.4690 3.440098  -0.1580658     6.880196 
1 1 1 -9  11 11 o 81.91493 3.175316  6.578552       6.350632 
1 1 1 -9  11 12 o 110.3426 3.310424  2.211655       6.620849 
1 1 1 -9  11 13 f 136.5825 4.586874  ?              ?        
1 1 1 -9  11 14 o 119.1874 2.929174  9.844872       5.858347 
1 1 1 -9  11 15 o 157.9039 2.985337  -4.200790      5.970675 
1 1 1 -9  11 16 o 27.21740 4.999507  -3.703142      9.999015 
1 1 1 -9  11 17 o 94.32529 2.419279  1.500458       4.838558 
1 1 1 -9  11 18 o 36.42740 4.103717  -12.01153      8.207434 
1 1 1 -9  11 19 o 137.6295 2.437858  -5.273956      4.875716 
1 1 1 -9  11 20 o 33.36327 4.211463  16.31362       8.422927 
1 1 1 -9  11 21 o 138.5353 2.896187  -6.414001      5.792374 
1 1 1 -9  11 22 o 40.31727 4.016461  4.647861       8.032922 
1 1 1 -9  11 23 o 98.73561 3.628341  10.34978       7.256682 
1 1 1 -9  11 24 o 63.15520 3.739640  0.7468452      7.479280 
1 1 1 -9  11 25 o 26.63997 5.404139  4.389935       10.80828 
1 1 1 -9  11 26 o 26.64185 5.264198  0.2532368      10.52840 
1 1 1 -9  11 27 o 37.92117 4.498399  -11.40967      8.996799 
1 1 1 -9  11 28 o 83.64584 2.586138  -8.651070      5.172277 
1 1 1 -9  11 29 o 39.97041 4.091192  -15.64523      8.182384 
1 1 1 -9  11 30 f 46.24351 3.229228  -17.18126      6.458457 
1 1 1 -9  11 31 o 37.92421 4.772127  -14.16239      9.544253 
1 1 1 -9  11 32 o 17.38820 4.845115  -11.17426      9.690230 
1 1 1 -9  11 33 o 42.21350 3.191975  -18.40795      6.383949 
1 1 1 -9  11 34 o 15.29668 4.471677  -3.837029      8.943354 
1 1 1 -9  12 1  o 190.4125 3.513652  14.36859       7.027303 
1 1 1 -9  12 2  o 138.2044 3.217591  5.415985       6.435182 
1 1 1 -9  12 3  o 28.05338 6.230919  8.692287       12.46184 
1 1 1 -9  12 4  o 75.61304 3.709475  11.61707       7.418951 
1 1 1 -9  12 5  o 25.24986 6.049563  12.27764       12.09913 
1 1 1 -9  12 6  o 99.58717 2.979271  6.242218       5.958541 
1 1 1 -9  12 7  o 112.6080 2.911849  1.512047       5.823698 
1 1 1 -9  12 8  o 76.13603 3.998878  -6.141548      7.997755 
1 1 1 -9  12 9  o 143.3642 3.019249  2.865112       6.038499 
1 1 1 -9  12 10 o 101.6962 3.041184  4.653679       6.082368 
1 1 1 -9  12 11 o 105.3519 4.343197  ?              ?        
1 1 1 -9  12 12 o 153.9877 3.474231  8.720734       6.948461 
1 1 1 -9  12 13 o 52.48996 3.565492  3.547676       7.130983 
1 1 1 -9  12 14 o 119.0479 2.883143  -1.925041      5.766286 
1 1 1 -9  12 15 o 117.6289 3.003079  6.040833       6.006159 
1 1 1 -9  12 16 o 215.7365 3.490246  8.549133       6.980492 
1 1 1 -9  12 17 o 72.90741 3.101902  -5.414253      6.203803 
1 1 1 -9  12 18 o 126.0226 2.949773  6.250572       5.899546 
1 1 1 -9  12 19 o 90.01301 5.345154  ?              ?        
1 1 1 -9  12 20 o 61.90793 3.523358  2.261429       7.046715 
1 1 1 -9  12 21 o 74.90212 2.816079  1.481918       5.632157 
1 1 1 -9  12 22 o 52.57722 5.908247  -23.82089      11.81649 
1 1 1 -9  12 23 o 62.32083 3.932928  6.292271       7.865856 
1 1 1 -9  12 24 o 114.8020 2.639510  4.772728       5.279020 
1 1 1 -9  12 25 o 40.96286 4.845761  -19.46284      9.691522 
1 1 1 -9  12 26 o 20.83744 5.162153  -1.987621      10.32431 
1 1 1 -9  12 27 o 58.49526 3.162446  -5.536011      6.324891 
1 1 1 -9  12 28 o 57.73353 3.153955  -15.58626      6.307911 
1 1 1 -9  12 29 o 54.71617 2.867032  -9.519314      5.734064 
1 1 1 -9  12 30 o 15.39433 4.566868  -0.4360189     9.133736 
1 1 1 -9  12 31 o 14.33317 4.226434  2.798591       8.452868 
1 1 1 -9  12 32 o 25.95329 4.161599  -18.08938      8.323197 
1 1 1 -9  12 33 o 16.09884 4.592488  -4.458946      9.184977 
1 1 1 -9  12 34 o 24.20186 4.532825  -13.30090      9.065649 
1 1 1 -9  13 1  o 39.58054 5.313853  21.63861       10.62771 
1 1 1 -9  13 2  o 146.0957 3.337364  -10.37148      6.674728 
1 1 1 -9  13 3  x ?        ?         ?              ?        
1 1 1 -9  13 4  o 75.26929 3.733843  -17.71109      7.467687 
1 1 1 -9  13 5  o 57.76363 4.296025  -4.927429      8.592051 
1 1 1 -9  13 6  o 67.11460 5.675633  ?              ?        
1 1 1 -9  13 7  o 102.1919 3.022437  12.48799       6.044874 
1 1 1 -9  13 8  o 166.8285 3.134892  7.625061       6.269784 
1 1 1 -9  13 9  o 126.4581 4.721640  ?              ?        
1 1 1 -9  13 10 o 71.61732 3.355246  3.156654       6.710493 
1 1 1 -9  13 11 o 81.23835 3.202052  -4.347885      6.404105 
1 1 1 -9  13 12 o 103.1234 3.437789  1.910141       6.875578 
1 1 1 -9  13 13 o 115.4810 3.024852  -4.477371      6.049704 
1 1 1 -9  13 14 o 104.8031 3.029907  2.314102       6.059813 
1 1 1 -9  13 15 o 56.53214 3.528973  5.815472       7.057946 
1 1 1 -9  13 16 o 41.26764 4.763679  -8.257324      9.527358 
1 1 1 -9  13 17 o 208.8202 3.485770  4.039047       6.971540 
1 1 1 -9  13 18 o 75.82057 3.817327  -11.77858      7.634655 
1 1 1 -9  13 19 o 64.03075 3.526424  -0.5475464     7.052848 
1 1 1 -9  13 20 o 76.86229 3.578789  -1.541229      7.157578 
1 1 1 -9  13 21 o 39.26308 6.163789  4.395031       12.32758 
1 1 1 -9  13 22 o 82.83899 3.665081  7.917267       7.330161 
1 1 1 -9  13 23 o 75.66058 3.753091  1.644188       7.506181 
1 1 1 -9  13 24 o 41.47297 5.647393  -12.83282      11.29479 
1 1 1 -9  13 25 o 18.17760 5.507416  1.866421       11.01483 
1 1 1 -9  13 26 o 61.73135 3.892121  1.939629       7.784241 
1 1 1 -9  13 27 o 24.96651 5.144618  -8.040037      10.28924 
1 1 1 -9  13 28 o 64.57047 2.762269  -8.098324      5.524538 
1 1 1 -9  13 29 o 13.64148 4.419024  3.067792       8.838048 
1 1 1 -9  13 30 o 42.14566 3.154243  -16.81284      6.308487 
1 1 1 -9  13 31 o 16.14668 4.282069  -7.457844      8.564138 
1 1 1 -9  13 32 o 22.22164 4.270767  -14.71375      8.541534 
1 1 1 -9  13 33 o 13.84363 4.154305  -7.938843      8.308609 
1 1 1 -9  14 1  o 130.9354 3.245890  -2.968262      6.491779 
1 1 1 -9  14 2  o 102.5056 3.390420  4.601120       6.780839 
1 1 1 -9  14 3  x ?        ?         ?              ?        
1 1 1 -9  14 4  o 101.5386 3.337936  -1.341858      6.675871 
1 1 1 -9  14 5  o 218.7811 3.908125  8.960419       7.816249 
1 1 1 -9  14 6  o 264.4760 4.365692  -8.743500      8.731383 
1 1 1 -9  14 7  o 130.5943 4.600871  ?              ?        
1 1 1 -9  14 8  o 56.26619 3.628426  12.27266       7.256852 
1 1 1 -9  14 9  o 23.62544 5.690578  9.522757       11.38116 
1 1 1 -9  14 10 o 107.6433 3.025250  1.306641       6.050500 
1 1 1 -9  14 11 o 167.8553 3.202001  2.738739       6.404001 
1 1 1 -9  14 12 o 110.0008 3.666094  6.801537       7.332188 
1 1 1 -9  14 13 f 77.17871 3.243544  4.099617       6.487088 
1 1 1 -9  14 14 o 148.2647 3.135711  5.461441       6.271422 
1 1 1 -9  14 15 o 70.22074 3.329947  -6.987717      6.659894 
1 1 1 -9  14 16 o 39.65188 4.859954  1.836479       9.719908 
1 1 1 -9  14 17 o 155.6689 3.262426  6.073639       6.524852 
1 1 1 -9  14 18 o 101.2920 3.315469  -0.4977417E-01 6.630937 
1 1 1 -9  14 19 o 62.57591 5.332963  ?              ?        
1 1 1 -9  14 20 o 50.26615 4.914385  3.452118       9.828770 
1 1 1 -9  14 21 o 28.50362 5.863171  1.409569       11.72634 
1 1 1 -9  14 22 o 62.33093 4.609223  -16.96291      9.218446 
1 1 1 -9  14 23 o 125.1949 3.415445  -1.481209      6.830889 
1 1 1 -9  14 24 o 41.74606 5.376343  5.836185       10.75269 
1 1 1 -9  14 25 f 58.79786 4.064528  6.844162       8.129055 
1 1 1 -9  14 26 o 39.90040 5.887053  -8.547760      11.77411 
1 1 1 -9  14 27 o 80.04093 3.527723  -4.344864      7.055445 
1 1 1 -9  14 28 o 21.76768 6.000853  ?              ?        
1 1 1 -9  14 29 o 38.99183 4.967170  -14.05038      9.934340 
1 1 1 -9  14 30 o 21.09630 4.862406  4.550123       9.724813 
1 1 1 -9  14 31 f 20.58431 4.366598  -12.42748      8.733195 
1 1 1 -9  14 32 o 14.69209 4.186167  -7.281637      8.372334 
1 1 1 -9  15 1  o 74.75253 3.509131  -12.93234      7.018263 
1 1 1 -9  15 2  o 161.7300 3.486170  -5.014740      6.972340 
1 1 1 -9  15 3  o 192.4069 5.241544  ?              ?        
1 1 1 -9  15 4  o 161.3362 4.888885  ?              ?        
1 1 1 -9  15 5  o 43.65420 4.833690  16.59715       9.667379 
1 1 1 -9  15 6  o 225.8040 4.024032  -17.99934      8.048063 
1 1 1 -9  15 7  o 88.12374 3.483055  -8.106277      6.966111 
1 1 1 -9  15 8  o 102.1017 3.025127  -4.402290      6.050255 
1 1 1 -9  15 9  o 184.4810 3.305543  -0.3025818     6.611086 
1 1 1 -9  15 10 o 17.52975 4.875261  -6.875183      9.750522 
1 1 1 -9  15 11 o 73.65475 3.382792  -1.867546      6.765585 
1 1 1 -9  15 12 o 25.30763 5.968618  9.911846       11.93724 
1 1 1 -9  15 13 o 94.25663 3.845045  2.037476       7.690091 
1 1 1 -9  15 14 o 53.12982 4.223308  -13.42014      8.446615 
1 1 1 -9  15 15 o 81.16512 3.869115  1.252113       7.738230 
1 1 1 -9  15 16 o 83.54951 3.410305  7.349525       6.820609 
1 1 1 -9  15 17 o 52.81895 4.422795  ?              ?        
1 1 1 -9  15 18 o 35.23698 6.312689  -7.845051      12.62538 
1 1 1 -9  15 19 o 56.01384 5.361063  -24.66819      10.72213 
1 1 1 -9  15 20 o 41.08085 5.665350  -8.193157      11.33070 
1 1 1 -9  15 21 o 20.94189 5.755383  -2.589399      11.51077 
1 1 1 -9  15 22 o 49.60275 5.512923  -7.777000      11.02585 
1 1 1 -9  15 23 o 78.17020 4.096602  -9.125275      8.193205 
1 1 1 -9  15 24 o 47.25802 5.492771  -16.99415      10.98554 
1 1 1 -9  15 25 o 39.62309 5.408841  -31.29767      10.81768 
1 1 1 -9  15 26 o 52.72591 4.106453  -0.4472046     8.212907 
1 1 1 -9  15 27 o 12.92281 5.558622  ?              ?        
1 1 1 -9  15 28 o 26.72105 5.784829  1.058163       11.56966 
1 1 1 -9  15 29 o 35.80849 4.230154  -20.87444      8.460307 
1 1 1 -9  15 30 o 13.37795 4.089427  4.484152       8.178853 
1 1 1 -9  15 31 o 19.41753 7.277202  ?              ?        
1 1 1 -9  15 32 o 17.98314 4.493201  -7.572339      8.986403 
1 1 1 -9  16 1  o 75.81654 3.489387  -0.8860321     6.978774 
1 1 1 -9  16 2  o 135.4949 3.379909  -1.164032      6.759818 
1 1 1 -9  16 3  o 43.67355 4.583673  -0.1698723     9.167345 
1 1 1 -9  16 4  o 165.8780 3.544033  0.1825409      7.088066 
1 1 1 -9  16 5  o 139.2436 3.425579  3.997833       6.851158 
1 1 1 -9  16 6  o 85.82117 3.482936  3.163239       6.965872 
1 1 1 -9  16 7  o 36.86800 5.286996  -11.18880      10.57399 
1 1 1 -9  16 8  o 145.6064 3.474972  -9.991806      6.949945 
1 1 1 -9  16 9  o 210.2139 3.473979  -2.495438      6.947958 
1 1 1 -9  16 10 o 99.66660 3.131778  -4.165649      6.263556 
1 1 1 -9  16 11 o 79.87865 3.279122  11.36106       6.558245 
1 1 1 -9  16 12 o 128.5371 3.283474  0.9925842E-01  6.566949 
1 1 1 -9  16 13 o 33.39043 6.511510  6.674219       13.02302 
1 1 1 -9  16 14 o 41.95569 5.164101  -19.30131      10.32820 
1 1 1 -9  16 15 o 142.2912 3.681233  ?              ?        
1 1 1 -9  16 16 o 112.6940 3.819276  0.1665497      7.638551 
1 1 1 -9  16 17 o 84.60730 3.687793  -10.07934      7.375585 
1 1 1 -9  16 18 o 27.01471 6.326751  12.58997       12.65350 
1 1 1 -9  16 19 o 57.55773 5.185631  -16.13050      10.37126 
1 1 1 -9  16 20 o 38.75971 5.844188  -4.303230      11.68838 
1 1 1 -9  16 21 o 36.06991 5.911417  -15.66850      11.82283 
1 1 1 -9  16 22 o 81.41759 3.764153  1.330666       7.528306 
1 1 1 -9  16 23 o 27.78242 5.977448  -15.54809      11.95490 
1 1 1 -9  16 24 o 57.31750 4.267558  8.353848       8.535116 
1 1 1 -9  16 25 o 28.39067 6.356781  6.381437       12.71356 
1 1 1 -9  16 26 o 37.32507 5.038995  -21.88017      10.07799 
1 1 1 -9  16 27 o 32.52381 5.259591  10.64715       10.51918 
1 1 1 -9  16 28 f 19.05092 4.499881  -5.473782      8.999763 
1 1 1 -9  16 29 o 22.53560 4.254754  -14.12656      8.509507 
1 1 1 -9  16 30 o 9.806160 3.355383  1.307643       6.710767 
1 1 1 -9  16 31 o 15.96906 4.832619  -7.811615      9.665238 
1 1 1 -9  17 1  o 131.3679 3.368537  5.967148       6.737075 
1 1 1 -9  17 2  f 98.53308 3.403730  -1.969337      6.807460 
1 1 1 -9  17 3  o 101.6110 3.440752  10.74049       6.881504 
1 1 1 -9  17 4  o 104.2767 3.400836  6.873833       6.801672 
1 1 1 -9  17 5  o 116.5854 3.389955  9.577545       6.779911 
1 1 1 -9  17 6  o 48.69722 4.669344  -1.953609      9.338689 
1 1 1 -9  17 7  o 38.30163 5.483545  4.999027       10.96709 
1 1 1 -9  17 8  o 22.28571 5.622144  15.46339       11.24429 
1 1 1 -9  17 9  o 131.9700 3.599713  5.565445       7.199427 
1 1 1 -9  17 10 o 150.2650 3.962164  -0.5351715     7.924328 
1 1 1 -9  17 11 o 48.57333 4.192784  1.104164       8.385568 
1 1 1 -9  17 12 o 105.6588 3.387478  -2.374672      6.774956 
1 1 1 -9  17 13 o 118.0376 6.334704  ?              ?        
1 1 1 -9  17 14 o 48.15453 7.709003  ?              ?        
1 1 1 -9  17 15 o 91.60007 3.681379  -6.994713      7.362757 
1 1 1 -9  17 16 o 103.7918 3.587234  -3.518105      7.174467 
1 1 1 -9  17 17 o 103.9446 3.536248  -0.9401703     7.072495 
1 1 1 -9  17 18 o 31.42452 5.183432  -24.74825      10.36686 
1 1 1 -9  17 19 o 65.69791 4.331444  -13.61642      8.662889 
1 1 1 -9  17 20 o 90.59398 3.719992  -5.715118      7.439984 
1 1 1 -9  17 21 o 52.76656 4.941073  1.749512       9.882146 
1 1 1 -9  17 22 o 29.33986 7.113305  6.255926       14.22661 
1 1 1 -9  17 23 o 37.70554 5.487379  -17.73977      10.97476 
1 1 1 -9  17 24 o 50.53498 4.368374  ?              ?        
1 1 1 -9  17 25 o 40.95595 5.294563  10.73530       10.58913 
1 1 1 -9  17 26 o 26.65001 4.223197  -20.98181      8.446393 
1 1 1 -9  17 27 o 18.35561 4.683127  4.441959       9.366254 
1 1 1 -9  17 28 f 16.38581 4.411149  -2.844586      8.822298 
1 1 1 -9  17 29 o 13.98711 4.105256  -6.156954      8.210512 
1 1 1 -9  17 30 o 27.11437 5.145026  -17.88561      10.29005 
1 1 1 -9  18 1  o 82.80297 3.503821  -0.7787476     7.007643 
1 1 1 -9  18 2  o 71.20546 3.736310  8.692970       7.472621 
1 1 1 -9  18 3  f 88.03087 3.530846  -7.601295      7.061692 
1 1 1 -9  18 4  o 74.02679 3.697588  10.52836       7.395176 
1 1 1 -9  18 5  o 175.0621 3.780175  -0.4836884     7.560349 
1 1 1 -9  18 6  o 55.40280 4.296335  -18.76314      8.592670 
1 1 1 -9  18 7  o 130.1766 5.202029  ?              ?        
1 1 1 -9  18 8  o 49.42301 5.094940  -13.96625      10.18988 
1 1 1 -9  18 9  o 73.24499 4.093566  -2.087036      8.187133 
1 1 1 -9  18 10 o 83.82410 4.010482  -4.728348      8.020965 
1 1 1 -9  18 11 x ?        ?         ?              ?        
1 1 1 -9  18 12 o 59.87422 5.161701  1.376701       10.32340 
1 1 1 -9  18 13 o 41.01852 6.922976  -2.269337      13.84595 
1 1 1 -9  18 14 o 22.08648 6.417078  -10.44835      12.83416 
1 1 1 -9  18 15 o 77.05444 4.149801  1.726326       8.299602 
1 1 1 -9  18 16 o 35.32945 6.142595  23.11643       12.28519 
1 1 1 -9  18 17 o 54.14180 5.414737  -23.04726      10.82947 
1 1 1 -9  18 18 o 36.10304 6.332850  -6.015221      12.66570 
1 1 1 -9  18 19 o 38.23499 5.983564  -14.14270      11.96713 
1 1 1 -9  18 20 o 62.17041 4.960501  -5.965843      9.921001 
1 1 1 -9  18 21 o 43.86420 5.460692  -7.126125      10.92138 
1 1 1 -9  18 22 o 113.5675 3.737053  ?              ?        
1 1 1 -9  18 23 o 17.19978 5.219489  11.45681       10.43898 
1 1 1 -9  18 24 o 23.84311 5.725301  -12.20735      11.45060 
1 1 1 -9  18 25 o 16.47166 4.744368  10.06082       9.488735 
1 1 1 -9  18 26 o 19.05265 4.652277  -4.421381      9.304555 
1 1 1 -9  18 27 o 20.62564 4.534400  -3.583811      9.068800 
1 1 1 -9  18 28 o 17.88459 4.417207  -7.536316      8.834414 
1 1 1 -9  18 29 o 18.77116 5.118847  -7.628001      10.23769 
1 1 1 -9  19 1  o 88.83422 5.378125  ?              ?        
1 1 1 -9  19 2  o 56.15603 4.380648  -3.469082      8.761296 
1 1 1 -9  19 3  o 81.72787 5.350599  ?              ?        
1 1 1 -9  19 4  o 111.5708 5.535330  ?              ?        
1 1 1 -9  19 5  o 45.54630 4.953286  1.279915       9.906571 
1 1 1 -9  19 6  o 65.45546 4.205647  -17.54646      8.411293 
1 1 1 -9  19 7  o 107.0537 5.214929  ?              ?        
1 1 1 -9  19 8  o 91.65370 5.436729  ?              ?        
1 1 1 -9  19 9  o 19.71245 8.405556  ?              ?        
1 1 1 -9  19 10 o 120.0723 5.644902  ?              ?        
1 1 1 -9  19 11 o 42.60584 6.989749  -9.389294      13.97950 
1 1 1 -9  19 12 o 39.18830 7.135527  -6.753418      14.27105 
1 1 1 -9  19 13 o 73.55751 5.172050  -1.843636      10.34410 
1 1 1 -9  19 14 o 22.03770 6.708232  -5.568211      13.41646 
1 1 1 -9  19 15 o 87.08739 3.916585  -4.467499      7.833169 
1 1 1 -9  19 16 o 49.69878 6.004311  -11.38563      12.00862 
1 1 1 -9  19 17 o 82.38216 4.101499  8.051430       8.202998 
1 1 1 -9  19 18 o 29.63274 7.227057  -4.561029      14.45411 
1 1 1 -9  19 19 o 20.39751 5.769544  -4.075100      11.53909 
1 1 1 -9  19 20 o 57.89351 4.869638  ?              ?        
1 1 1 -9  19 21 o 29.05510 5.075326  -20.15239      10.15065 
1 1 1 -9  19 22 o 18.19086 5.410425  -5.306153      10.82085 
1 1 1 -9  19 23 o 35.37805 4.920264  -24.58053      9.840528 
1 1 1 -9  19 24 o 16.97718 4.626966  -5.974685      9.253932 
1 1 1 -9  19 25 o 30.29546 4.867126  -2.853352      9.734252 
1 1 1 -9  19 26 o 24.09310 4.782289  15.72713       9.564578 
1 1 1 -9  19 27 o 26.12307 5.272769  5.516563       10.54554 
1 1 1 -9  19 28 o 36.76679 4.803016  -12.96614      9.606031 
1 1 1 -9  20 1  o 88.95058 5.588881  ?              ?        
1 1 1 -9  20 2  o 41.43197 5.842482  -1.465908      11.68496 
1 1 1 -9  20 3  o 138.5190 5.434986  ?              ?        
1 1 1 -9  20 4  x ?        ?         ?              ?        
1 1 1 -9  20 5  o 49.04047 5.216398  -3.431828      10.43280 
1 1 1 -9  20 6  o 35.68941 5.767532  -26.36335      11.53506 
1 1 1 -9  20 7  o 52.31001 5.079934  1.822643       10.15987 
1 1 1 -9  20 8  o 65.68643 4.444084  -1.995964      8.888167 
1 1 1 -9  20 9  o 85.17731 5.908415  ?              ?        
1 1 1 -9  20 10 o 60.43857 7.398314  ?              ?        
1 1 1 -9  20 11 o 94.47021 4.600154  -0.6943130     9.200309 
1 1 1 -9  20 12 o 46.07224 6.869622  -12.49636      13.73924 
1 1 1 -9  20 13 o 74.97751 5.231880  -3.988152      10.46376 
1 1 1 -9  20 14 o 133.3904 4.473730  7.106384       8.947459 
1 1 1 -9  20 15 o 84.91786 3.988011  4.862656       7.976022 
1 1 1 -9  20 16 f 32.20064 7.058298  15.13550       14.11660 
1 1 1 -9  20 17 o 39.29806 5.835070  4.777695       11.67014 
1 1 1 -9  20 18 o 27.77072 8.199610  ?              ?        
1 1 1 -9  20 19 o 62.33203 4.822553  -5.406082      9.645106 
1 1 1 -9  20 20 o 25.15553 6.122922  11.50513       12.24584 
1 1 1 -9  20 21 o 23.22775 5.521281  -1.499258      11.04256 
1 1 1 -9  20 22 o 18.39951 5.233389  5.729506       10.46678 
1 1 1 -9  20 23 o 22.14023 5.007132  -4.519480      10.01426 
1 1 1 -9  20 24 f 17.73862 4.312087  -9.416274      8.624174 
1 1 1 -9  20 25 o 16.90564 4.335821  13.75362       8.671642 
1 1 1 -9  20 26 o 15.53160 4.693456  0.5069733      9.386911 
1 1 1 -9  20 27 o 12.41639 4.177665  -3.592360      8.355330 
1 1 1 -9  21 1  o 38.89486 9.520014  ?              ?        
1 1 1 -9  21 2  o 28.37461 9.753153  ?              ?        
1 1 1 -9  21 3  o 27.86945 6.860023  1.951620       13.72005 
1 1 1 -9  21 4  o 101.0638 4.164364  14.58019       8.328729 
1 1 1 -9  21 5  o 39.65156 6.390002  -10.05358      12.78000 
1 1 1 -9  21 6  o 83.15588 4.577339  -25.57271      9.154677 
1 1 1 -9  21 7  o 73.87552 4.436837  2.728340       8.873673 
1 1 1 -9  21 8  o 20.77517 6.236457  -6.487923      12.47291 
1 1 1 -9  21 9  o 40.51642 8.984933  ?              ?        
1 1 1 -9  21 10 o 71.16373 6.512990  ?              ?        
1 1 1 -9  21 11 o 76.17643 6.564878  ?              ?        
1 1 1 -9  21 12 o 35.07284 7.350300  18.53422       14.70060 
1 1 1 -9  21 13 o 59.99853 6.167860  19.35040       12.33572 
1 1 1 -9  21 14 f 74.34531 4.955810  0.1243744      9.911620 
1 1 1 -9  21 15 o 60.50213 6.259707  -28.95241      12.51941 
1 1 1 -9  21 16 o 34.76995 7.189173  ?              ?        
1 1 1 -9  21 17 o 34.09283 6.640158  1.343952       13.28032 
1 1 1 -9  21 18 o 29.07792 6.423973  1.346310       12.84795 
1 1 1 -9  21 19 o 41.29477 4.756026  -2.034744      9.512053 
1 1 1 -9  21 20 o 18.57314 5.149154  7.389232       10.29831 
1 1 1 -9  21 21 o 23.35722 5.230185  -4.110140      10.46037 
1 1 1 -9  21 22 o 15.32552 4.689814  0.5630484      9.379627 
1 1 1 -9  21 23 o 17.46534 4.609421  -3.072177      9.218843 
1 1 1 -9  21 24 o 15.13009 4.621067  2.726490       9.242133 
1 1 1 -9  21 25 o 11.29638 3.882290  -0.8048668     7.764579 
1 1 1 -9  21 26 o 11.98566 5.798291  ?              ?        
1 1 1 -9  22 1  o 89.06813 6.184535  ?              ?        
1 1 1 -9  22 2  o 46.09800 8.610248  ?              ?        
1 1 1 -9  22 3  o 85.66393 6.396605  ?              ?        
1 1 1 -9  22 4  o 57.06013 5.129136  -7.345455      10.25827 
1 1 1 -9  22 5  o 107.6891 4.086868  -8.643745      8.173736 
1 1 1 -9  22 6  o 30.40676 7.036944  0.5497494      14.07389 
1 1 1 -9  22 7  o 49.79939 5.916134  3.473824       11.83227 
1 1 1 -9  22 8  o 56.18035 5.388274  -13.45169      10.77655 
1 1 1 -9  22 9  o 67.10939 7.106658  ?              ?        
1 1 1 -9  22 10 o 112.8527 5.884933  ?              ?        
1 1 1 -9  22 11 o 41.96118 9.058679  ?              ?        
1 1 1 -9  22 12 o 84.59360 4.720581  -5.887520      9.441162 
1 1 1 -9  22 13 f 26.48833 10.81421  ?              ?        
1 1 1 -9  22 14 o 60.52190 7.490721  ?              ?        
1 1 1 -9  22 15 o 72.79314 4.613636  2.224709       9.227273 
1 1 1 -9  22 16 o 22.63458 5.907107  3.744278       11.81421 
1 1 1 -9  22 17 o 18.45903 5.395253  1.793316       10.79051 
1 1 1 -9  22 18 o 40.38343 5.139619  -15.09060      10.27924 
1 1 1 -9  22 19 o 16.45383 4.901506  -0.7930603     9.803013 
1 1 1 -9  22 20 o 31.86453 4.927620  2.162254       9.855241 
1 1 1 -9  22 21 o 27.22473 4.590482  -11.28806      9.180964 
1 1 1 -9  22 22 o 14.78420 4.571211  -9.086232      9.142422 
1 1 1 -9  22 23 f 13.54656 4.448452  -3.070402      8.896904 
1 1 1 -9  22 24 o 25.62830 8.844857  ?              ?        
1 1 1 -9  22 25 o 29.86126 8.767160  ?              ?        
1 1 1 -9  23 1  o 23.38982 9.463251  ?              ?        
1 1 1 -9  23 2  o 41.87756 10.06127  ?              ?        
1 1 1 -9  23 3  f 15.72949 7.582694  ?              ?        
1 1 1 -9  23 4  o 31.76048 10.43006  ?              ?        
1 1 1 -9  23 5  o 87.61109 4.420405  6.658188       8.840811 
1 1 1 -9  23 6  o 19.58903 8.381983  ?              ?        
1 1 1 -9  23 7  o 20.02507 6.141372  -6.254528      12.28274 
1 1 1 -9  23 8  o 26.62600 6.999640  -2.023529      13.99928 
1 1 1 -9  23 9  o 25.16385 9.420742  ?              ?        
1 1 1 -9  23 10 x ?        ?         ?              ?        
1 1 1 -9  23 11 o 40.56664 9.360490  ?              ?        
1 1 1 -9  23 12 o 57.50793 6.930680  ?              ?        
1 1 1 -9  23 13 o 26.80445 6.783121  -10.40351      13.56624 
1 1 1 -9  23 14 o 54.88084 5.014587  -5.001526      10.02917 
1 1 1 -9  23 15 o 46.91763 5.338088  -3.700710      10.67618 
1 1 1 -9  23 16 o 20.88811 5.391988  -0.7752151     10.78398 
1 1 1 -9  23 17 o 32.89719 5.528857  -1.680111      11.05771 
1 1 1 -9  23 18 o 15.99702 7.142936  ?              ?        
1 1 1 -9  23 19 o 13.88381 4.245239  6.150231       8.490478 
1 1 1 -9  23 20 o 37.37616 5.177266  2.099957       10.35453 
1 1 1 -9  23 21 o 23.65881 5.500804  -15.12475      11.00161 
1 1 1 -9  23 22 o 17.09110 7.282970  ?              ?        
1 1 1 -9  23 23 x ?        ?         ?              ?        
1 1 1 -9  24 1  x ?        ?         ?              ?        
1 1 1 -9  24 2  o 14.84163 7.058521  ?              ?        
1 1 1 -9  24 3  o 74.06023 6.350116  ?              ?        
1 1 1 -9  24 4  o 86.29919 6.321476  ?              ?        
1 1 1 -9  24 5  o 42.49622 9.244962  ?              ?        
1 1 1 -9  24 6  o 54.00579 7.719065  ?              ?        
1 1 1 -9  24 7  o 37.41479 6.469584  -0.5074120     12.93917 
1 1 1 -9  24 8  o 57.99877 4.961654  -16.41266      9.923307 
1 1 1 -9  24 9  o 74.01658 6.051637  ?              ?        
1 1 1 -9  24 10 o 30.13769 9.316035  ?              ?        
1 1 1 -9  24 11 o 51.88858 6.835940  ?              ?        
1 1 1 -9  24 12 o 23.75364 8.579240  ?              ?        
1 1 1 -9  24 13 o 22.47162 6.196921  0.2217007      12.39384 
1 1 1 -9  24 14 o 31.89151 6.081076  -9.612827      12.16215 
1 1 1 -9  24 15 o 15.36671 4.940864  -0.9853888     9.881728 
1 1 1 -9  24 16 o 15.80898 4.493491  -3.141593      8.986981 
1 1 1 -9  24 17 o 12.23401 4.136169  -3.499727      8.272338 
1 1 1 -9  24 18 o 12.62719 4.233017  -4.496264      8.466034 
1 1 1 -9  24 19 o 41.00536 4.668252  -3.898632      9.336504 
1 1 1 -9  24 20 o 24.26666 8.707248  ?              ?        
1 1 1 -9  24 21 x ?        ?         ?              ?        
1 1 1 -9  24 22 x ?        ?         ?              ?        
1 1 1 -9  25 1  o 49.07780 6.611556  ?              ?        
1 1 1 -9  25 2  o 34.88992 8.317650  ?              ?        
1 1 1 -9  25 3  o 21.36962 8.568275  ?              ?        
1 1 1 -9  25 4  o 35.19992 8.918244  ?              ?        
1 1 1 -9  25 5  x ?        ?         ?              ?        
1 1 1 -9  25 6  o 21.17471 8.138876  ?              ?        
1 1 1 -9  25 7  o 18.54314 5.459455  6.326625       10.91891 
1 1 1 -9  25 8  o 15.62925 5.060580  4.233166       10.12116 
1 1 1 -9  25 9  o 31.87054 6.269158  -4.169323      12.53832 
1 1 1 -9  25 10 o 20.35675 7.927887  ?              ?        
1 1 1 -9  25 11 o 20.60643 8.250479  ?              ?        
1 1 1 -9  25 12 o 16.94563 7.222608  ?              ?        
1 1 1 -9  25 13 o 27.34220 5.908784  12.55346       11.81757 
1 1 1 -9  25 14 o 28.51063 5.709049  -1.692026      11.41810 
1 1 1 -9  25 15 o 17.53400 5.246269  -8.787193      10.49254 
1 1 1 -9  25 16 o 12.46628 4.165739  -3.418531      8.331477 
1 1 1 -9  25 17 o 36.73592 8.890516  ?              ?        
1 1 1 -9  25 18 x ?        ?         ?              ?        
1 1 1 -9  25 19 x ?        ?         ?              ?        
1 1 1 -9  25 20 x ?        ?         ?              ?        
1 1 1 -9  26 1  o 17.02433 6.289855  ?              ?        
1 1 1 -9  26 2  o 15.75860 6.748438  ?              ?        
1 1 1 -9  26 3  o 24.19112 7.567849  ?              ?        
1 1 1 -9  26 4  o 34.51051 6.588891  ?              ?        
1 1 1 -9  26 5  o 20.84726 7.512813  ?              ?        
1 1 1 -9  26 6  o 63.24001 5.007392  ?              ?        
1 1 1 -9  26 7  o 28.60327 8.214420  ?              ?        
1 1 1 -9  26 8  o 47.41023 4.311685  -0.2009201E-01 8.623369 
1 1 1 -9  26 9  o 22.06215 5.273836  4.652121       10.54767 
1 1 1 -9  26 10 o 27.54525 8.189967  ?              ?        
1 1 1 -9  26 11 o 38.90546 7.016425  ?              ?        
1 1 1 -9  26 12 o 34.71946 7.357837  ?              ?        
1 1 1 -9  26 13 o 18.89314 5.317721  1.637421       10.63544 
1 1 1 -9  26 14 x ?        ?         ?              ?        
1 1 1 -9  26 15 x ?        ?         ?              ?        
1 1 1 -9  26 16 x ?        ?         ?              ?        
1 1 1 -9  26 17 x ?        ?         ?              ?        
1 1 1 -9  26 18 x ?        ?         ?              ?        
1 1 1 -9  27 1  o 11.71275 5.466226  ?              ?        
1 1 1 -9  27 2  o 16.24558 6.277383  ?              ?        
1 1 1 -9  27 3  o 21.90225 6.510227  ?              ?        
1 1 1 -9  27 4  o 18.69631 6.644409  ?              ?        
1 1 1 -9  27 5  o 42.18731 5.323396  ?              ?        
1 1 1 -9  27 6  x ?        ?         ?              ?        
1 1 1 -9  27 7  x ?        ?         ?              ?        
1 1 1 -9  27 8  x ?        ?         ?              ?        
1 1 1 -9  27 9  x ?        ?         ?              ?        
1 1 1 -9  27 10 x ?        ?         ?              ?        
1 1 1 -9  27 11 x ?        ?         ?              ?        
1 1 1 -9  27 12 x ?        ?         ?              ?        
1 1 1 -9  27 13 x ?        ?         ?              ?        
1 1 1 -9  27 14 x ?        ?         ?              ?        
1 1 1 -9  27 15 x ?        ?         ?              ?        
1 1 1 -9  28 1  x ?        ?         ?              ?        
1 1 1 -9  28 2  x ?        ?         ?              ?        
1 1 1 -9  28 3  x ?        ?         ?              ?        
1 1 1 -9  28 4  x ?        ?         ?              ?        
1 1 1 -9  28 5  x ?        ?         ?              ?        
1 1 1 -9  28 6  x ?        ?         ?              ?        
1 1 1 -9  28 7  x ?        ?         ?              ?        
1 1 1 -9  28 8  x ?        ?         ?              ?        
1 1 1 -9  28 9  x ?        ?         ?              ?        
1 1 1 -9  28 10 x ?        ?         ?              ?        
1 1 1 -9  28 11 x ?        ?         ?              ?        
1 1 1 -9  29 1  x ?        ?         ?              ?        
1 1 1 -9  29 2  x ?        ?         ?              ?        
1 1 1 -9  29 3  x ?        ?         ?              ?        
1 1 1 -9  29 4  x ?        ?         ?              ?        
1 1 1 -8  0  1  o 313.7793 5.969010  0.000000       0.000000 
1 1 1 -8  0  2  o 189.5088 2.632220  0.000000       0.000000 
1 1 1 -8  0  3  o 484.6795 9.148503  0.000000       0.000000 
1 1 1 -8  0  4  x ?        ?         ?              ?        
1 1 1 -8  0  5  o 95.91569 1.574462  0.000000       0.000000 
1 1 1 -8  0  6  o 178.0191 2.513819  0.000000       0.000000 
1 1 1 -8  0  7  o 5.152818 3.288196  0.000000       0.000000 
1 1 1 -8  0  8  f 115.2057 1.826615  0.000000       0.000000 
1 1 1 -8  0  9  o 97.17672 2.481693  0.000000       0.000000 
1 1 1 -8  0  10 o 249.6076 4.909136  0.000000       0.000000 
1 1 1 -8  0  11 o 132.3419 2.078305  0.000000       0.000000 
1 1 1 -8  0  12 o 59.54480 1.633348  0.000000       0.000000 
1 1 1 -8  0  13 o 66.75494 2.164378  0.000000       0.000000 
1 1 1 -8  0  14 o 460.8534 6.187224  -0.000000      0.000000 
1 1 1 -8  0  15 o 182.2111 2.717284  -0.000000      0.000000 
1 1 1 -8  0  16 x ?        ?         ?              ?        
1 1 1 -8  0  17 f 212.8081 3.128563  0.000000       0.000000 
1 1 1 -8  0  18 f 40.94789 2.910851  0.000000       0.000000 
1 1 1 -8  0  19 o 78.22540 2.181757  0.000000       0.000000 
1 1 1 -8  0  20 o 16.13274 6.152382  -0.000000      0.000000 
1 1 1 -8  0  21 o 61.60524 2.286097  0.000000       0.000000 
1 1 1 -8  0  22 o 143.0664 3.405690  -0.000000      0.000000 
1 1 1 -8  0  23 o 104.1400 2.329560  0.000000       0.000000 
1 1 1 -8  0  24 f 82.15211 2.285843  0.000000       0.000000 
1 1 1 -8  0  25 o 78.30853 2.420900  0.000000       0.000000 
1 1 1 -8  0  26 o 30.08502 3.888854  0.000000       0.000000 
1 1 1 -8  0  27 o 79.39365 2.615592  0.000000       0.000000 
1 1 1 -8  0  28 o 199.0724 5.092827  -0.000000      0.000000 
1 1 1 -8  0  29 o 8.427141 5.654173  -0.000000      0.000000 
1 1 1 -8  0  30 o 20.47775 8.529674  -0.000000      0.000000 
1 1 1 -8  0  31 o 54.78238 3.541423  -0.000000      0.000000 
1 1 1 -8  0  32 o 48.65289 3.659147  -0.000000      0.000000 
1 1 1 -8  0  33 o 29.18401 5.893300  -0.000000      0.000000 
1 1 1 -8  0  34 f 14.32922 7.470653  0.000000       0.000000 
1 1 1 -8  0  35 o 6.380977 4.581847  -0.000000      0.000000 
1 1 1 -8  0  36 o 17.52258 8.008271  -0.000000      0.000000 
1 1 1 -8  0  37 o 24.15691 10.26812  -0.000000      0.000000 
1 1 1 -8  1  1  o 137.5449 1.785130  -4.339706      3.570261 
1 1 1 -8  1  2  o 176.3952 1.778919  -2.895645      3.557839 
1 1 1 -8  1  3  o 156.5763 2.282194  -6.460434      4.564387 
1 1 1 -8  1  4  x ?        ?         ?              ?        
1 1 1 -8  1  5  o 136.5320 1.467008  -0.9470520     2.934016 
1 1 1 -8  1  6  o 352.9995 3.368989  -7.875793      6.737977 
1 1 1 -8  1  7  o 90.59325 1.161073  -1.184586      2.322146 
1 1 1 -8  1  8  o 176.7775 1.809633  -3.823441      3.619265 
1 1 1 -8  1  9  f 246.2589 3.030926  5.334549       6.061853 
1 1 1 -8  1  10 o 107.9733 1.895671  3.339333       3.791342 
1 1 1 -8  1  11 o 53.25761 1.836498  ?              ?        
1 1 1 -8  1  12 o 293.3002 2.849007  3.076630       5.698014 
1 1 1 -8  1  13 o 94.89702 1.752948  3.535408       3.505895 
1 1 1 -8  1  14 o 32.25167 1.817369  -1.658764      3.634738 
1 1 1 -8  1  15 o 267.6141 2.652320  2.009735       5.304640 
1 1 1 -8  1  16 o 99.90700 1.498643  -4.772972      2.997286 
1 1 1 -8  1  17 f 204.7900 2.166249  -1.157867      4.332499 
1 1 1 -8  1  18 o 201.6661 2.151531  0.3541565E-01  4.303061 
1 1 1 -8  1  19 o 117.6415 1.617798  1.223351       3.235597 
1 1 1 -8  1  20 o 73.97952 1.593863  -7.589561      3.187727 
1 1 1 -8  1  21 o 232.4606 2.439508  -2.965027      4.879016 
1 1 1 -8  1  22 o 176.4990 2.357682  5.188354       4.715364 
1 1 1 -8  1  23 o 134.8241 1.772334  5.991180       3.544668 
1 1 1 -8  1  24 o 66.76382 1.650437  2.365685       3.300874 
1 1 1 -8  1  25 o 123.7694 1.805242  7.533890       3.610485 
1 1 1 -8  1  26 o 62.98130 1.863020  7.144344       3.726041 
1 1 1 -8  1  27 o 88.66164 1.841890  -5.860497      3.683781 
1 1 1 -8  1  28 o 43.05604 4.496079  0.1017113      8.992159 
1 1 1 -8  1  29 o 18.92852 4.207405  9.964562       8.414810 
1 1 1 -8  1  30 o 17.10432 4.557850  1.972792       9.115700 
1 1 1 -8  1  31 o 68.44156 2.244183  0.8426895      4.488365 
1 1 1 -8  1  32 o 47.01433 2.631060  0.4286308      5.262119 
1 1 1 -8  1  33 o 38.75533 3.052879  -11.21262      6.105759 
1 1 1 -8  1  34 o 25.78062 4.086423  0.3660107      8.172847 
1 1 1 -8  1  35 o 44.40355 5.913484  ?              ?        
1 1 1 -8  1  36 o 15.71843 4.220454  5.675447       8.440908 
1 1 1 -8  1  37 o 29.72603 5.572062  -12.99741      11.14412 
1 1 1 -8  2  1  o 163.1655 1.754091  -13.24742      3.508182 
1 1 1 -8  2  2  f 167.2473 2.226140  -10.37097      4.452279 
1 1 1 -8  2  3  o 192.0930 2.438791  -3.995514      4.877582 
1 1 1 -8  2  4  o 82.36037 1.233441  6.154427       2.466882 
1 1 1 -8  2  5  o 198.3499 2.040045  -4.573746      4.080091 
1 1 1 -8  2  6  o 126.6526 1.501067  6.559082       3.002135 
1 1 1 -8  2  7  o 65.29902 1.215812  -2.321701      2.431625 
1 1 1 -8  2  8  o 261.6726 2.593658  -4.493042      5.187316 
1 1 1 -8  2  9  o 126.8176 1.958306  6.869820       3.916611 
1 1 1 -8  2  10 o 152.2972 2.392725  0.4677277      4.785449 
1 1 1 -8  2  11 o 221.5623 2.256593  3.550781       4.513185 
1 1 1 -8  2  12 o 126.0589 1.834946  -9.520218      3.669892 
1 1 1 -8  2  13 o 133.3307 1.599474  -6.108292      3.198948 
1 1 1 -8  2  14 o 166.7471 1.846072  -5.969788      3.692143 
1 1 1 -8  2  15 o 206.3268 2.163049  0.4101410      4.326097 
1 1 1 -8  2  16 o 318.5906 3.138219  10.64133       6.276438 
1 1 1 -8  2  17 o 42.41823 2.152022  7.175156       4.304045 
1 1 1 -8  2  18 o 181.4837 2.024277  3.139297       4.048554 
1 1 1 -8  2  19 o 112.8772 1.998108  12.50759       3.996216 
1 1 1 -8  2  20 x ?        ?         ?              ?        
1 1 1 -8  2  21 o 91.45144 1.871264  5.221863       3.742527 
1 1 1 -8  2  22 o 142.0962 1.819464  -0.3981171     3.638928 
1 1 1 -8  2  23 o 89.50478 1.634143  1.511414       3.268286 
1 1 1 -8  2  24 o 139.8113 1.844177  1.655807       3.688354 
1 1 1 -8  2  25 o 117.6013 1.784587  -4.033569      3.569173 
1 1 1 -8  2  26 o 18.24507 3.669160  -5.726014      7.338320 
1 1 1 -8  2  27 o 97.96716 1.864621  3.076454       3.729241 
1 1 1 -8  2  28 o 89.49762 3.294615  0.9754944      6.589230 
1 1 1 -8  2  29 o 13.36221 4.031165  -1.365478      8.062329 
1 1 1 -8  2  30 o 30.49679 4.138159  -9.373198      8.276318 
1 1 1 -8  2  31 o 21.30246 4.279639  -7.609373      8.559278 
1 1 1 -8  2  32 o 17.58100 4.250371  -6.068440      8.500743 
1 1 1 -8  2  33 o 36.38990 3.099483  -0.1368675     6.198966 
1 1 1 -8  2  34 o 52.61657 2.604626  -6.747536      5.209253 
1 1 1 -8  2  35 o 16.19991 6.688587  ?              ?        
1 1 1 -8  2  36 o 15.36244 4.149165  3.613074       8.298330 
1 1 1 -8  2  37 o 17.84449 4.446391  -21.00188      8.892782 
1 1 1 -8  3  1  o 257.9265 3.201886  -5.728165      6.403773 
1 1 1 -8  3  2  o 63.72184 1.791910  -2.708427      3.583820 
1 1 1 -8  3  3  o 201.7966 2.135644  -1.667068      4.271288 
1 1 1 -8  3  4  o 73.76010 1.352030  0.7449036      2.704060 
1 1 1 -8  3  5  o 195.7665 2.089604  -4.856949      4.179209 
1 1 1 -8  3  6  o 119.7268 1.544638  2.749329       3.089277 
1 1 1 -8  3  7  o 130.9201 1.621694  -5.766861      3.243389 
1 1 1 -8  3  8  o 114.0883 1.524853  2.452217       3.049705 
1 1 1 -8  3  9  o 85.94898 1.809089  3.738129       3.618179 
1 1 1 -8  3  10 o 136.0944 2.331094  -8.540527      4.662188 
1 1 1 -8  3  11 o 477.6454 4.570137  3.012054       9.140274 
1 1 1 -8  3  12 o 277.5086 3.954873  12.65903       7.909746 
1 1 1 -8  3  13 o 155.5721 1.821010  7.100937       3.642020 
1 1 1 -8  3  14 o 321.9038 3.176520  5.337708       6.353040 
1 1 1 -8  3  15 o 267.2335 2.714230  3.479797       5.428460 
1 1 1 -8  3  16 o 87.47440 1.662752  8.267044       3.325503 
1 1 1 -8  3  17 o 122.6787 1.728260  -3.532913      3.456520 
1 1 1 -8  3  18 o 64.10887 1.885232  -1.458336      3.770465 
1 1 1 -8  3  19 o 118.4468 2.596494  -0.8432617     5.192988 
1 1 1 -8  3  20 o 183.0616 2.491370  1.758606       4.982741 
1 1 1 -8  3  21 o 134.3224 2.481619  -3.615295      4.963239 
1 1 1 -8  3  22 o 34.47394 2.383768  6.801331       4.767536 
1 1 1 -8  3  23 o 134.8162 1.838828  -5.768936      3.677657 
1 1 1 -8  3  24 o 48.27082 1.962434  8.052910       3.924869 
1 1 1 -8  3  25 f 99.51465 1.777757  2.051277       3.555515 
1 1 1 -8  3  26 o 21.55908 3.986221  -1.984657      7.972441 
1 1 1 -8  3  27 o 91.11792 1.973883  -4.315041      3.947766 
1 1 1 -8  3  28 o 13.15375 4.300264  4.012541       8.600528 
1 1 1 -8  3  29 o 31.49843 4.463840  -19.06796      8.927679 
1 1 1 -8  3  30 o 77.49208 2.202444  -3.247078      4.404888 
1 1 1 -8  3  31 o 58.43660 2.580366  -11.23721      5.160732 
1 1 1 -8  3  32 o 80.97292 2.230753  -6.543808      4.461505 
1 1 1 -8  3  33 o 19.20222 4.259945  -8.077222      8.519891 
1 1 1 -8  3  34 o 10.10563 3.375666  0.1671677      6.751331 
1 1 1 -8  3  35 f 17.69645 7.003078  ?              ?        
1 1 1 -8  3  36 o 14.91260 4.205429  -7.665077      8.410858 
1 1 1 -8  3  37 o 17.59301 4.949492  -4.104482      9.898985 
1 1 1 -8  4  1  o 235.1116 3.084178  3.442841       6.168355 
1 1 1 -8  4  2  o 137.3568 1.720614  3.325760       3.441228 
1 1 1 -8  4  3  o 129.4960 1.686720  0.6613922      3.373440 
1 1 1 -8  4  4  o 83.05516 1.483403  5.318573       2.966807 
1 1 1 -8  4  5  o 247.9863 2.576526  -5.846512      5.153052 
1 1 1 -8  4  6  f 153.1464 1.847061  -1.378845      3.694122 
1 1 1 -8  4  7  o 226.7107 2.393979  0.4566803      4.787958 
1 1 1 -8  4  8  o 155.7628 1.872637  1.358612       3.745273 
1 1 1 -8  4  9  o 258.8746 3.759488  9.780167       7.518977 
1 1 1 -8  4  10 o 105.7561 2.221087  4.877907       4.442174 
1 1 1 -8  4  11 o 62.16901 2.030319  -11.96338      4.060638 
1 1 1 -8  4  12 o 237.9283 2.503247  3.217224       5.006493 
1 1 1 -8  4  13 o 148.5448 1.860127  -0.7991333     3.720253 
1 1 1 -8  4  14 f 195.9177 2.206681  1.499283       4.413362 
1 1 1 -8  4  15 o 75.11503 1.776572  13.50578       3.553144 
1 1 1 -8  4  16 o 146.8094 1.911608  2.111649       3.823215 
1 1 1 -8  4  17 o 98.95486 1.778981  -1.157646      3.557961 
1 1 1 -8  4  18 o 182.5490 2.151043  -2.691940      4.302086 
1 1 1 -8  4  19 o 84.47232 2.821932  5.917305       5.643864 
1 1 1 -8  4  20 o 37.07419 3.032984  -16.20194      6.065969 
1 1 1 -8  4  21 o 79.77863 2.065728  2.581657       4.131457 
1 1 1 -8  4  22 o 100.4241 1.742767  -4.313538      3.485534 
1 1 1 -8  4  23 o 62.26297 1.894269  -0.3849831     3.788537 
1 1 1 -8  4  24 o 20.56316 3.747370  3.419081       7.494740 
1 1 1 -8  4  25 o 97.65587 1.871912  -10.53729      3.743824 
1 1 1 -8  4  26 o 87.37863 1.968369  -8.528282      3.936738 
1 1 1 -8  4  27 o 17.59502 4.694745  -5.938970      9.389489 
1 1 1 -8  4  28 o 28.68227 3.795274  17.14782       7.590549 
1 1 1 -8  4  29 o 116.1664 2.878358  8.718979       5.756717 
1 1 1 -8  4  30 o 65.89220 2.396909  -7.619179      4.793819 
1 1 1 -8  4  31 o 62.68929 2.546318  -11.65358      5.092635 
1 1 1 -8  4  32 o 30.70725 3.822842  -7.360710      7.645685 
1 1 1 -8  4  33 o 12.05917 3.858697  0.6870184      7.717395 
1 1 1 -8  4  34 o 12.73139 3.824132  7.914145       7.648265 
1 1 1 -8  4  35 o 17.39228 4.827524  5.810547       9.655047 
1 1 1 -8  4  36 o 18.41976 5.123374  3.075600       10.24675 
1 1 1 -8  5  1  o 101.5857 1.923408  4.242073       3.846816 
1 1 1 -8  5  2  o 227.2899 2.992371  7.392075       5.984742 
1 1 1 -8  5  3  o 222.8573 2.413117  0.7905579E-01  4.826234 
1 1 1 -8  5  4  o 120.7390 1.716510  2.906464       3.433020 
1 1 1 -8  5  5  o 78.01505 1.622969  -2.344208      3.245939 
1 1 1 -8  5  6  o 143.7910 1.859705  -1.458740      3.719410 
1 1 1 -8  5  7  o 125.2834 1.774781  1.435081       3.549562 
1 1 1 -8  5  8  o 364.9502 5.112966  -1.197266      10.22593 
1 1 1 -8  5  9  o 204.1555 2.778088  -6.310623      5.556176 
1 1 1 -8  5  10 o 259.0331 3.821331  -1.661499      7.642661 
1 1 1 -8  5  11 o 310.0534 4.527648  -12.68613      9.055296 
1 1 1 -8  5  12 o 366.3259 3.641165  16.07889       7.282331 
1 1 1 -8  5  13 o 186.7630 2.205161  2.855942       4.410323 
1 1 1 -8  5  14 o 171.0856 2.115207  5.401581       4.230414 
1 1 1 -8  5  15 o 172.4824 2.134983  4.702225       4.269966 
1 1 1 -8  5  16 o 188.0731 2.237412  2.541199       4.474824 
1 1 1 -8  5  17 o 130.1360 1.937601  -3.931427      3.875201 
1 1 1 -8  5  18 o 85.50501 2.784250  4.861374       5.568500 
1 1 1 -8  5  19 o 249.7314 3.911050  10.01021       7.822099 
1 1 1 -8  5  20 o 115.2441 2.522519  -2.445335      5.045038 
1 1 1 -8  5  21 o 144.7809 1.989489  3.326630       3.978978 
1 1 1 -8  5  22 o 59.68082 1.959287  -0.2099495     3.918574 
1 1 1 -8  5  23 o 53.30442 2.124849  -2.899323      4.249698 
1 1 1 -8  5  24 o 126.2170 1.928303  1.012688       3.856605 
1 1 1 -8  5  25 o 141.4513 2.043018  -1.031082      4.086035 
1 1 1 -8  5  26 o 45.82073 2.635419  -1.202621      5.270839 
1 1 1 -8  5  27 o 17.44111 4.826731  1.263336       9.653462 
1 1 1 -8  5  28 o 44.58435 3.044158  -5.510944      6.088315 
1 1 1 -8  5  29 o 14.90302 4.517198  -0.7338428E-01 9.034396 
1 1 1 -8  5  30 o 37.92567 3.459671  -3.357185      6.919342 
1 1 1 -8  5  31 o 29.62953 4.210468  -10.43492      8.420937 
1 1 1 -8  5  32 o 25.03621 4.429295  -3.662663      8.858589 
1 1 1 -8  5  33 o 34.70739 4.788434  ?              ?        
1 1 1 -8  5  34 o 43.31429 3.647463  -2.379147      7.294926 
1 1 1 -8  5  35 o 21.68134 4.111972  -20.97346      8.223945 
1 1 1 -8  5  36 o 14.21573 4.444698  -3.378273      8.889397 
1 1 1 -8  6  1  o 242.5583 3.181210  6.351715       6.362421 
1 1 1 -8  6  2  o 87.26606 1.976250  3.604462       3.952499 
1 1 1 -8  6  3  o 176.4437 2.594850  10.00868       5.189699 
1 1 1 -8  6  4  o 417.5702 5.065655  7.868317       10.13131 
1 1 1 -8  6  5  o 200.6515 2.307548  2.909302       4.615095 
1 1 1 -8  6  6  o 284.2961 2.965440  -11.15546      5.930880 
1 1 1 -8  6  7  o 508.8411 6.980312  10.93677       13.96062 
1 1 1 -8  6  8  o 55.50777 1.914341  3.854351       3.828682 
1 1 1 -8  6  9  o 120.8195 3.770726  ?              ?        
1 1 1 -8  6  10 o 201.4556 5.158454  ?              ?        
1 1 1 -8  6  11 o 190.9008 2.695743  3.456573       5.391486 
1 1 1 -8  6  12 o 64.82726 2.021658  -1.728142      4.043316 
1 1 1 -8  6  13 o 385.1215 3.848358  13.50583       7.696715 
1 1 1 -8  6  14 o 257.6232 2.794021  1.058136       5.588042 
1 1 1 -8  6  15 o 36.36577 3.363128  1.686653       6.726256 
1 1 1 -8  6  16 o 246.4958 2.711622  1.504791       5.423244 
1 1 1 -8  6  17 o 252.8811 3.298014  0.9773254E-01  6.596028 
1 1 1 -8  6  18 o 151.9886 2.723119  5.242661       5.446239 
1 1 1 -8  6  19 o 110.6099 3.108164  3.701904       6.216328 
1 1 1 -8  6  20 o 61.16442 5.156810  ?              ?        
1 1 1 -8  6  21 o 88.61467 1.945619  -4.019203      3.891237 
1 1 1 -8  6  22 f 41.41567 2.575843  -0.5157852E-01 5.151687 
1 1 1 -8  6  23 o 67.33652 2.054110  2.258995       4.108220 
1 1 1 -8  6  24 o 66.28568 2.135720  0.7652435      4.271441 
1 1 1 -8  6  25 o 95.38158 2.068125  -6.663345      4.136251 
1 1 1 -8  6  26 o 72.74998 2.422067  -3.724556      4.844134 
1 1 1 -8  6  27 o 83.09171 2.286415  5.765373       4.572830 
1 1 1 -8  6  28 o 43.88062 3.895244  -1.600140      7.790487 
1 1 1 -8  6  29 o 55.00120 2.795627  -1.938351      5.591253 
1 1 1 -8  6  30 o 28.67513 4.370765  -7.839748      8.741529 
1 1 1 -8  6  31 o 105.3606 2.300667  -10.49312      4.601334 
1 1 1 -8  6  32 o 70.11687 2.405689  -11.18379      4.811377 
1 1 1 -8  6  33 o 12.85966 3.947901  2.026402       7.895803 
1 1 1 -8  6  34 o 18.22366 5.013174  -5.079905      10.02635 
1 1 1 -8  6  35 o 26.22025 4.911788  -12.79158      9.823577 
1 1 1 -8  6  36 o 13.73335 4.228624  1.953504       8.457248 
1 1 1 -8  7  1  o 363.5266 7.238727  ?              ?        
1 1 1 -8  7  2  o 230.9837 3.114427  1.858215       6.228854 
1 1 1 -8  7  3  o 201.1190 2.864103  7.030258       5.728206 
1 1 1 -8  7  4  o 290.0927 3.715529  3.195770       7.431058 
1 1 1 -8  7  5  o 198.6848 2.816245  -3.939819      5.632490 
1 1 1 -8  7  6  o 303.4750 4.458008  -5.013824      8.916017 
1 1 1 -8  7  7  o 58.08825 2.035971  0.5738945      4.071942 
1 1 1 -8  7  8  o 188.8886 3.356077  4.600479       6.712154 
1 1 1 -8  7  9  o 476.1587 5.708208  -0.3262329E-01 11.41642 
1 1 1 -8  7  10 f 49.57190 2.718174  -8.813049      5.436347 
1 1 1 -8  7  11 o 295.8902 3.759449  4.700195       7.518898 
1 1 1 -8  7  12 o 285.5967 3.048463  1.473053       6.096926 
1 1 1 -8  7  13 f 293.0609 3.120653  7.427765       6.241307 
1 1 1 -8  7  14 o 191.3371 2.403172  1.864090       4.806344 
1 1 1 -8  7  15 o 65.54477 2.431420  7.590031       4.862839 
1 1 1 -8  7  16 o 126.9560 2.409418  3.458611       4.818837 
1 1 1 -8  7  17 o 57.10709 3.042481  14.27559       6.084963 
1 1 1 -8  7  18 o 127.3375 2.118364  -0.2731094     4.236729 
1 1 1 -8  7  19 o 21.13661 5.452132  6.820190       10.90426 
1 1 1 -8  7  20 o 101.9647 2.896261  -15.28647      5.792521 
1 1 1 -8  7  21 o 119.6952 2.057392  9.978264       4.114785 
1 1 1 -8  7  22 o 27.62188 3.701025  -4.263786      7.402051 
1 1 1 -8  7  23 o 112.7041 2.046455  3.429558       4.092911 
1 1 1 -8  7  24 o 24.56509 3.930938  -7.692551      7.861876 
1 1 1 -8  7  25 f 66.28019 2.509496  1.373093       5.018992 
1 1 1 -8  7  26 o 76.43462 3.120071  -2.450539      6.240142 
1 1 1 -8  7  27 o 20.15316 5.356874  10.45493       10.71375 
1 1 1 -8  7  28 o 64.55932 3.065522  6.356140       6.131043 
1 1 1 -8  7  29 o 87.73213 2.369927  -3.816673      4.739855 
1 1 1 -8  7  30 o 49.99096 3.085440  -6.470982      6.170879 
1 1 1 -8  7  31 o 38.81096 3.475120  -6.616074      6.950240 
1 1 1 -8  7  32 o 62.25067 2.604621  -16.22187      5.209242 
1 1 1 -8  7  33 o 68.43143 2.748297  -18.79259      5.496593 
1 1 1 -8  7  34 o 41.19184 4.312481  -30.18488      8.624962 
1 1 1 -8  7  35 o 32.58253 5.047781  -8.827351      10.09556 
1 1 1 -8  7  36 o 10.82094 3.688335  -4.295373      7.376670 
1 1 1 -8  8  1  x ?        ?         ?              ?        
1 1 1 -8  8  2  o 146.8482 2.770545  -7.690063      5.541090 
1 1 1 -8  8  3  o 332.7602 4.170821  -0.8137512     8.341642 
1 1 1 -8  8  4  o 122.9900 2.822648  -0.5920486     5.645296 
1 1 1 -8  8  5  o 228.1778 3.148983  0.3148804      6.297967 
1 1 1 -8  8  6  o 175.6119 3.111633  4.943008       6.223267 
1 1 1 -8  8  7  o 167.2227 4.266567  ?              ?        
1 1 1 -8  8  8  o 249.2275 3.383748  1.898987       6.767496 
1 1 1 -8  8  9  o 141.5081 2.542337  -2.024918      5.084675 
1 1 1 -8  8  10 o 195.1245 2.928468  11.60236       5.856936 
1 1 1 -8  8  11 o 90.99015 2.623661  -7.254288      5.247322 
1 1 1 -8  8  12 o 174.5370 2.353741  2.711349       4.707482 
1 1 1 -8  8  13 f 180.6774 2.413085  1.232742       4.826169 
1 1 1 -8  8  14 o 271.2074 3.006027  -2.949646      6.012054 
1 1 1 -8  8  15 o 127.1142 2.617475  2.254448       5.234949 
1 1 1 -8  8  16 o 107.3420 2.719861  -9.316063      5.439722 
1 1 1 -8  8  17 o 123.0647 2.175472  5.476242       4.350944 
1 1 1 -8  8  18 o 97.62235 3.196826  -4.407379      6.393651 
1 1 1 -8  8  19 o 30.18064 4.099748  -7.564804      8.199495 
1 1 1 -8  8  20 o 96.76297 2.917473  -8.388344      5.834946 
1 1 1 -8  8  21 o 104.4660 2.103218  0.1126785      4.206437 
1 1 1 -8  8  22 f 92.01456 2.129481  6.964508       4.258961 
1 1 1 -8  8  23 o 13.19655 5.034405  ?              ?        
1 1 1 -8  8  24 o 80.76712 2.263885  -6.256210      4.527769 
1 1 1 -8  8  25 o 60.54458 3.413574  2.949150       6.827147 
1 1 1 -8  8  26 o 84.75858 2.443330  2.071808       4.886660 
1 1 1 -8  8  27 o 27.97627 4.224484  -18.30774      8.448969 
1 1 1 -8  8  28 o 75.58192 2.634006  -10.36308      5.268012 
1 1 1 -8  8  29 o 20.39363 4.860380  1.230598       9.720760 
1 1 1 -8  8  30 o 26.48760 4.843115  2.121042       9.686231 
1 1 1 -8  8  31 o 56.03741 2.892891  -15.98569      5.785783 
1 1 1 -8  8  32 o 29.77015 3.972490  -4.232872      7.944980 
1 1 1 -8  8  33 o 15.92862 4.234674  -6.981916      8.469347 
1 1 1 -8  8  34 o 22.69481 5.338194  5.856079       10.67639 
1 1 1 -8  8  35 o 27.03570 5.544929  -23.29620      11.08986 
1 1 1 -8  9  1  x ?        ?         ?              ?        
1 1 1 -8  9  2  o 208.8354 4.887532  ?              ?        
1 1 1 -8  9  3  o 144.0169 2.872835  9.032394       5.745669 
1 1 1 -8  9  4  o 94.52583 2.673955  -6.380219      5.347910 
1 1 1 -8  9  5  o 16.79552 6.094698  ?              ?        
1 1 1 -8  9  6  o 95.80372 2.482156  0.3323364E-01  4.964312 
1 1 1 -8  9  7  o 175.8982 2.774895  -9.228500      5.549789 
1 1 1 -8  9  8  o 251.9761 3.478042  2.017395       6.956084 
1 1 1 -8  9  9  o 189.9156 2.958827  -4.916458      5.917655 
1 1 1 -8  9  10 o 120.3981 2.668306  -5.465424      5.336611 
1 1 1 -8  9  11 o 89.72726 3.270218  11.69052       6.540436 
1 1 1 -8  9  12 o 78.87880 2.546603  -8.193832      5.093206 
1 1 1 -8  9  13 o 81.92523 2.545234  1.770988       5.090468 
1 1 1 -8  9  14 o 200.3221 3.073763  10.08109       6.147526 
1 1 1 -8  9  15 o 71.45524 2.717379  0.8699341      5.434758 
1 1 1 -8  9  16 o 42.19956 3.387375  -1.815208      6.774750 
1 1 1 -8  9  17 o 164.6541 2.913975  0.3684387      5.827950 
1 1 1 -8  9  18 o 102.6429 2.247757  0.4808121      4.495515 
1 1 1 -8  9  19 o 146.9527 2.316846  -3.771759      4.633692 
1 1 1 -8  9  20 o 63.06886 3.455424  -9.387291      6.910849 
1 1 1 -8  9  21 f 55.23856 2.594784  8.095062       5.189568 
1 1 1 -8  9  22 o 61.06704 2.535923  -4.520424      5.071846 
1 1 1 -8  9  23 o 102.0265 2.255353  3.455124       4.510706 
1 1 1 -8  9  24 o 62.49217 2.785985  5.573059       5.571970 
1 1 1 -8  9  25 o 107.2360 2.378932  -6.172356      4.757864 
1 1 1 -8  9  26 o 18.50616 5.437926  6.234766       10.87585 
1 1 1 -8  9  27 o 49.32397 3.918298  -6.221806      7.836596 
1 1 1 -8  9  28 o 35.25376 4.483116  -9.902996      8.966231 
1 1 1 -8  9  29 o 63.32039 2.743480  -3.550644      5.486960 
1 1 1 -8  9  30 o 42.41755 5.770915  ?              ?        
1 1 1 -8  9  31 o 25.71806 4.248741  -9.297247      8.497482 
1 1 1 -8  9  32 o 33.16674 4.472767  -19.08853      8.945535 
1 1 1 -8  9  33 o 19.35512 6.952119  ?              ?        
1 1 1 -8  9  34 o 36.95903 3.805026  -23.63767      7.610052 
1 1 1 -8  9  35 o 13.49691 3.963198  6.420783       7.926395 
1 1 1 -8  10 1  o 174.1555 3.199182  8.908539       6.398364 
1 1 1 -8  10 2  o 29.80927 6.614283  ?              ?        
1 1 1 -8  10 3  o 97.05563 3.873409  ?              ?        
1 1 1 -8  10 4  o 60.88379 3.073226  8.899906       6.146453 
1 1 1 -8  10 5  o 186.1766 2.914548  -5.517288      5.829097 
1 1 1 -8  10 6  o 114.3217 2.608479  1.105644       5.216957 
1 1 1 -8  10 7  o 97.08882 2.747437  -3.960541      5.494873 
1 1 1 -8  10 8  o 236.3730 3.386201  -1.803329      6.772402 
1 1 1 -8  10 9  o 52.34301 3.483035  10.84874       6.966070 
1 1 1 -8  10 10 o 154.4126 2.973668  12.44611       5.947337 
1 1 1 -8  10 11 o 87.34146 3.518728  4.271774       7.037456 
1 1 1 -8  10 12 f 396.8900 5.089064  13.73608       10.17813 
1 1 1 -8  10 13 o 88.49903 3.393391  11.65793       6.786782 
1 1 1 -8  10 14 o 174.7950 2.512499  7.387299       5.024998 
1 1 1 -8  10 15 o 148.0798 3.128294  -15.61128      6.256588 
1 1 1 -8  10 16 o 30.46622 5.250261  -7.302965      10.50052 
1 1 1 -8  10 17 o 77.85756 2.468133  0.1151505      4.936266 
1 1 1 -8  10 18 o 103.5206 2.315199  -1.054420      4.630398 
1 1 1 -8  10 19 o 65.94780 2.594604  -1.052155      5.189208 
1 1 1 -8  10 20 o 40.94329 3.914490  -11.61415      7.828979 
1 1 1 -8  10 21 o 79.61665 2.484669  -0.9242783     4.969339 
1 1 1 -8  10 22 o 126.8959 2.374155  2.536461       4.748310 
1 1 1 -8  10 23 o 15.43713 4.640334  10.59921       9.280668 
1 1 1 -8  10 24 o 66.10590 3.343035  -5.406887      6.686070 
1 1 1 -8  10 25 o 108.7850 3.397969  -7.067085      6.795938 
1 1 1 -8  10 26 o 61.26330 3.781657  -9.697811      7.563313 
1 1 1 -8  10 27 o 60.77403 3.117458  -9.336624      6.234916 
1 1 1 -8  10 28 o 56.47606 3.140892  -13.24347      6.281784 
1 1 1 -8  10 29 o 26.12981 3.997166  -17.69666      7.994331 
1 1 1 -8  10 30 o 47.87200 2.982253  -12.35727      5.964507 
1 1 1 -8  10 31 o 33.65960 4.199602  -13.18798      8.399204 
1 1 1 -8  10 32 o 46.59903 3.476073  -12.19064      6.952146 
1 1 1 -8  10 33 o 34.28051 4.580182  -19.93863      9.160363 
1 1 1 -8  10 34 o 11.06746 3.839824  -3.131806      7.679648 
1 1 1 -8  10 35 o 16.13190 4.664494  -6.161664      9.328988 
1 1 1 -8  11 1  o 202.9489 3.520112  -0.3435974     7.040225 
1 1 1 -8  11 2  o 98.08437 3.057951  9.034668       6.115901 
1 1 1 -8  11 3  o 168.6782 3.244736  -10.93076      6.489472 
1 1 1 -8  11 4  o 117.1966 3.018862  0.8323822      6.037724 
1 1 1 -8  11 5  o 100.4904 3.140654  -10.34660      6.281308 
1 1 1 -8  11 6  o 70.91689 3.038623  4.613655       6.077246 
1 1 1 -8  11 7  o 181.6725 3.065948  1.979050       6.131896 
1 1 1 -8  11 8  o 52.43943 3.845427  -4.369972      7.690853 
1 1 1 -8  11 9  o 258.3722 3.696007  8.999863       7.392014 
1 1 1 -8  11 10 o 184.3136 3.112619  -2.332382      6.225239 
1 1 1 -8  11 11 o 254.1073 4.226285  16.19220       8.452569 
1 1 1 -8  11 12 o 128.0527 3.015982  8.126289       6.031964 
1 1 1 -8  11 13 o 243.9871 3.589216  6.770706       7.178432 
1 1 1 -8  11 14 o 96.83698 4.462077  ?              ?        
1 1 1 -8  11 15 o 96.24902 2.955165  11.63761       5.910330 
1 1 1 -8  11 16 o 129.0777 2.885969  5.831413       5.771937 
1 1 1 -8  11 17 o 86.93846 3.023887  -0.8109436     6.047773 
1 1 1 -8  11 18 o 129.7359 2.400162  -14.06435      4.800325 
1 1 1 -8  11 19 o 28.25050 4.566435  -5.702049      9.132870 
1 1 1 -8  11 20 o 121.6270 2.437319  -0.4979630     4.874639 
1 1 1 -8  11 21 o 110.6921 2.468629  0.4612579      4.937258 
1 1 1 -8  11 22 o 99.67043 2.906254  ?              ?        
1 1 1 -8  11 23 o 11.87832 4.071165  7.372486       8.142330 
1 1 1 -8  11 24 o 70.98837 4.171981  -11.99628      8.343963 
1 1 1 -8  11 25 o 25.83418 6.085573  2.891882       12.17115 
1 1 1 -8  11 26 o 57.06320 3.416893  -3.569122      6.833787 
1 1 1 -8  11 27 o 29.59587 4.954958  0.9024792      9.909917 
1 1 1 -8  11 28 o 85.33424 2.536227  -3.093605      5.072454 
1 1 1 -8  11 29 o 28.33181 3.954608  -22.21825      7.909217 
1 1 1 -8  11 30 o 28.54689 4.679473  -8.209742      9.358947 
1 1 1 -8  11 31 o 39.33294 4.152787  -36.19932      8.305574 
1 1 1 -8  11 32 o 15.03505 4.823749  7.256357       9.647497 
1 1 1 -8  11 33 o 13.59367 4.415107  -5.885442      8.830214 
1 1 1 -8  11 34 o 17.05898 4.789067  6.802671       9.578135 
1 1 1 -8  12 1  o 44.77572 4.405853  3.243530       8.811707 
1 1 1 -8  12 2  o 156.7143 3.282313  0.9729919      6.564625 
1 1 1 -8  12 3  o 46.24028 4.584062  -7.992477      9.168124 
1 1 1 -8  12 4  o 143.2369 3.267532  -7.831985      6.535064 
1 1 1 -8  12 5  o 214.9257 3.775609  5.184601       7.551217 
1 1 1 -8  12 6  o 106.6131 3.246829  3.599709       6.493659 
1 1 1 -8  12 7  o 132.1976 2.927333  -4.602966      5.854666 
1 1 1 -8  12 8  o 154.9977 2.995837  -2.302383      5.991673 
1 1 1 -8  12 9  o 209.2938 3.930138  -11.19281      7.860276 
1 1 1 -8  12 10 o 134.8124 3.012688  -0.8304749     6.025377 
1 1 1 -8  12 11 o 100.2835 3.482420  4.789047       6.964841 
1 1 1 -8  12 12 o 103.0903 4.595685  ?              ?        
1 1 1 -8  12 13 o 117.9525 2.995516  -5.627495      5.991032 
1 1 1 -8  12 14 o 28.37764 5.269091  -8.382166      10.53818 
1 1 1 -8  12 15 o 168.7356 3.096679  -1.247665      6.193358 
1 1 1 -8  12 16 o 80.36541 3.134667  -10.26131      6.269334 
1 1 1 -8  12 17 o 91.32446 2.993603  2.880142       5.987206 
1 1 1 -8  12 18 o 47.50375 4.042146  -7.448154      8.084292 
1 1 1 -8  12 19 o 90.05666 3.048900  -4.364845      6.097799 
1 1 1 -8  12 20 o 64.84989 3.889313  -9.128887      7.778626 
1 1 1 -8  12 21 o 45.35600 4.702969  -3.353237      9.405938 
1 1 1 -8  12 22 o 37.94743 4.068206  6.989952       8.136412 
1 1 1 -8  12 23 o 16.29172 4.981310  12.78145       9.962620 
1 1 1 -8  12 24 o 75.22131 3.634117  -3.059067      7.268233 
1 1 1 -8  12 25 o 53.56390 3.710194  -8.287399      7.420388 
1 1 1 -8  12 26 o 31.27307 4.995932  1.390684       9.991864 
1 1 1 -8  12 27 o 19.74683 4.821916  -4.642056      9.643832 
1 1 1 -8  12 28 o 69.47209 2.675063  -8.090645      5.350127 
1 1 1 -8  12 29 o 35.44715 3.965166  -3.537613      7.930333 
1 1 1 -8  12 30 o 42.70094 3.120158  -15.12418      6.240316 
1 1 1 -8  12 31 f 24.35732 3.960118  -20.39535      7.920237 
1 1 1 -8  12 32 o 18.04200 5.058743  -6.989752      10.11749 
1 1 1 -8  12 33 o 11.08883 3.717903  -5.568826      7.435806 
1 1 1 -8  12 34 o 26.32277 3.871252  -25.05191      7.742504 
1 1 1 -8  13 1  o 59.29661 3.850370  -0.3587990     7.700740 
1 1 1 -8  13 2  o 170.0353 3.438148  -7.810287      6.876297 
1 1 1 -8  13 3  o 370.7639 5.468408  -3.765106      10.93682 
1 1 1 -8  13 4  o 95.47852 3.375777  6.684792       6.751553 
1 1 1 -8  13 5  o 94.84669 3.438218  0.9123917      6.876436 
1 1 1 -8  13 6  o 83.34327 5.265551  ?              ?        
1 1 1 -8  13 7  o 113.5534 4.812628  ?              ?        
1 1 1 -8  13 8  o 46.01296 4.432293  0.5892181E-01  8.864586 
1 1 1 -8  13 9  o 150.7237 3.055349  5.782806       6.110698 
1 1 1 -8  13 10 o 114.7861 4.733512  ?              ?        
1 1 1 -8  13 11 o 61.08206 4.539920  19.35524       9.079840 
1 1 1 -8  13 12 f 120.3160 2.935617  2.500298       5.871235 
1 1 1 -8  13 13 o 88.35169 3.051074  2.344040       6.102148 
1 1 1 -8  13 14 o 41.18052 4.002238  8.061127       8.004476 
1 1 1 -8  13 15 o 49.15757 4.053271  -1.314655      8.106543 
1 1 1 -8  13 16 o 112.9442 2.959500  -4.273796      5.918999 
1 1 1 -8  13 17 o 122.2897 3.024041  1.478951       6.048083 
1 1 1 -8  13 18 o 101.0681 3.549761  5.200607       7.099523 
1 1 1 -8  13 19 o 63.98075 4.095200  -0.8284988     8.190400 
1 1 1 -8  13 20 o 121.7968 3.099349  -2.360748      6.198699 
1 1 1 -8  13 21 o 20.03650 6.749375  ?              ?        
1 1 1 -8  13 22 o 82.41275 4.059155  -1.766640      8.118309 
1 1 1 -8  13 23 o 74.20844 3.850186  9.104385       7.700371 
1 1 1 -8  13 24 o 89.10316 3.779660  -5.580345      7.559320 
1 1 1 -8  13 25 o 43.36719 5.248077  3.813282       10.49615 
1 1 1 -8  13 26 o 38.75263 5.450083  -8.991596      10.90017 
1 1 1 -8  13 27 o 59.41137 3.802353  11.43504       7.604706 
1 1 1 -8  13 28 o 49.62238 4.214879  -0.9196014     8.429758 
1 1 1 -8  13 29 o 46.21720 4.234308  -16.59568      8.468616 
1 1 1 -8  13 30 o 22.81893 6.005006  ?              ?        
1 1 1 -8  13 31 o 29.30952 3.939074  -16.98912      7.878147 
1 1 1 -8  13 32 o 24.65272 3.692175  -22.20257      7.384349 
1 1 1 -8  13 33 o 24.31261 4.002301  -20.24094      8.004601 
1 1 1 -8  14 1  f 141.1131 3.340501  1.857590       6.681002 
1 1 1 -8  14 2  f 116.0633 3.347690  6.580696       6.695380 
1 1 1 -8  14 3  o 91.71854 5.009424  ?              ?        
1 1 1 -8  14 4  o 67.97514 5.277694  ?              ?        
1 1 1 -8  14 5  o 238.4794 4.071153  7.737900       8.142306 
1 1 1 -8  14 6  o 27.28848 6.152665  9.168571       12.30533 
1 1 1 -8  14 7  o 191.4926 5.075651  ?              ?        
1 1 1 -8  14 8  o 123.5374 4.678639  ?              ?        
1 1 1 -8  14 9  o 231.7676 3.544743  -10.90630      7.089486 
1 1 1 -8  14 10 o 68.24940 3.458938  -8.922169      6.917876 
1 1 1 -8  14 11 o 40.76286 5.516054  -17.30211      11.03211 
1 1 1 -8  14 12 o 122.1787 3.125501  2.373436       6.251003 
1 1 1 -8  14 13 o 101.1369 3.077818  -1.754257      6.155635 
1 1 1 -8  14 14 o 111.2749 3.010095  -3.918671      6.020191 
1 1 1 -8  14 15 o 80.20638 3.207601  9.591522       6.415202 
1 1 1 -8  14 16 o 69.31856 3.499595  -8.282631      6.999189 
1 1 1 -8  14 17 o 97.77592 3.678890  -10.76048      7.357781 
1 1 1 -8  14 18 o 29.31978 6.083395  -8.545250      12.16679 
1 1 1 -8  14 19 o 45.17962 4.700958  0.2857208      9.401917 
1 1 1 -8  14 20 o 61.28312 3.913317  ?              ?        
1 1 1 -8  14 21 o 114.1770 3.750368  6.211159       7.500735 
1 1 1 -8  14 22 o 31.38997 5.710841  -13.63200      11.42168 
1 1 1 -8  14 23 o 150.9243 3.434616  -9.607559      6.869231 
1 1 1 -8  14 24 o 87.21379 3.878514  -2.346733      7.757028 
1 1 1 -8  14 25 o 27.83415 5.999837  -3.025337      11.99967 
1 1 1 -8  14 26 o 24.62468 6.107321  5.520102       12.21464 
1 1 1 -8  14 27 f 32.50198 5.815606  -1.645739      11.63121 
1 1 1 -8  14 28 o 30.58970 5.135625  4.439640       10.27125 
1 1 1 -8  14 29 o 26.97105 5.746224  ?              ?        
1 1 1 -8  14 30 o 14.99235 4.476552  3.600571       8.953105 
1 1 1 -8  14 31 o 11.21980 3.744353  -0.3382053     7.488705 
1 1 1 -8  14 32 o 33.15327 4.225276  -18.59077      8.450551 
1 1 1 -8  14 33 o 30.31508 4.239262  -9.933239      8.478524 
1 1 1 -8  15 1  o 85.89288 3.376314  1.630104       6.752628 
1 1 1 -8  15 2  x ?        ?         ?              ?        
1 1 1 -8  15 3  o 40.41371 4.944944  -18.04149      9.889889 
1 1 1 -8  15 4  o 167.9539 4.891330  ?              ?        
1 1 1 -8  15 5  o 180.3857 5.054150  ?              ?        
1 1 1 -8  15 6  o 194.6039 3.747577  -0.1667480     7.495154 
1 1 1 -8  15 7  o 74.84348 3.597205  4.566246       7.194410 
1 1 1 -8  15 8  o 193.5868 3.772357  -0.4739990     7.544713 
1 1 1 -8  15 9  o 23.19950 8.246881  ?              ?        
1 1 1 -8  15 10 o 70.65935 3.364381  0.2403107      6.728762 
1 1 1 -8  15 11 f 154.1290 3.758078  10.62683       7.516155 
1 1 1 -8  15 12 o 120.5137 3.086681  -3.585747      6.173363 
1 1 1 -8  15 13 o 18.62023 4.941971  -7.658689      9.883943 
1 1 1 -8  15 14 o 134.9878 3.182319  -5.337051      6.364639 
1 1 1 -8  15 15 o 79.03203 3.899090  0.3907700      7.798181 
1 1 1 -8  15 16 o 91.40077 3.347416  -2.014137      6.694833 
1 1 1 -8  15 17 o 112.9576 3.256446  3.306107       6.512893 
1 1 1 -8  15 18 o 190.9124 3.843220  ?              ?        
1 1 1 -8  15 19 o 118.4262 3.737286  -6.096672      7.474572 
1 1 1 -8  15 20 f 70.81049 3.808106  9.050491       7.616213 
1 1 1 -8  15 21 o 56.60070 4.577100  -7.566856      9.154200 
1 1 1 -8  15 22 o 87.46562 3.527300  -0.8896561     7.054600 
1 1 1 -8  15 23 o 47.22226 4.907015  8.573265       9.814030 
1 1 1 -8  15 24 o 26.05358 4.739431  -18.61224      9.478863 
1 1 1 -8  15 25 o 39.50458 5.424601  -9.467461      10.84920 
1 1 1 -8  15 26 o 31.63943 5.890879  8.502565       11.78176 
1 1 1 -8  15 27 o 15.83665 4.856650  4.728551       9.713300 
1 1 1 -8  15 28 o 37.31017 4.348521  -20.30426      8.697042 
1 1 1 -8  15 29 o 19.58376 5.170643  0.1864433E-01  10.34129 
1 1 1 -8  15 30 o 15.17827 4.287821  -1.274314      8.575642 
1 1 1 -8  15 31 o 29.16508 4.318111  -9.203621      8.636222 
1 1 1 -8  15 32 f 15.24199 4.457748  0.7896795      8.915497 
1 1 1 -8  16 1  o 138.0969 4.752502  ?              ?        
1 1 1 -8  16 2  x ?        ?         ?              ?        
1 1 1 -8  16 3  o 83.32732 3.445608  -3.348480      6.891216 
1 1 1 -8  16 4  o 179.9942 3.622614  14.36887       7.245228 
1 1 1 -8  16 5  o 35.58810 5.552996  4.563873       11.10599 
1 1 1 -8  16 6  o 72.97905 3.535422  -0.9202194     7.070843 
1 1 1 -8  16 7  o 99.32372 3.388087  -8.315956      6.776173 
1 1 1 -8  16 8  o 95.12337 3.474414  -7.865097      6.948829 
1 1 1 -8  16 9  o 176.2130 3.668560  -5.071198      7.337120 
1 1 1 -8  16 10 o 103.8278 3.072708  10.02453       6.145415 
1 1 1 -8  16 11 o 113.3289 3.758271  6.380974       7.516541 
1 1 1 -8  16 12 o 83.05621 3.491511  4.006020       6.983022 
1 1 1 -8  16 13 o 66.60086 4.473236  -0.6249161     8.946472 
1 1 1 -8  16 14 o 27.89240 5.758243  -4.206661      11.51649 
1 1 1 -8  16 15 o 24.92517 5.934433  13.21599       11.86887 
1 1 1 -8  16 16 o 98.38795 3.660313  ?              ?        
1 1 1 -8  16 17 o 111.8365 3.788431  -8.485329      7.576862 
1 1 1 -8  16 18 o 86.28560 3.513778  11.95491       7.027555 
1 1 1 -8  16 19 o 42.26541 5.447196  -3.741970      10.89439 
1 1 1 -8  16 20 o 29.31307 6.619818  4.727491       13.23964 
1 1 1 -8  16 21 o 76.76250 3.926582  12.23926       7.853164 
1 1 1 -8  16 22 o 70.57382 4.123849  -7.239555      8.247698 
1 1 1 -8  16 23 o 49.15912 5.022926  8.058712       10.04585 
1 1 1 -8  16 24 o 26.58023 6.108477  -6.948463      12.21695 
1 1 1 -8  16 25 o 55.17387 4.429144  -4.967369      8.858288 
1 1 1 -8  16 26 x ?        ?         ?              ?        
1 1 1 -8  16 27 o 11.16594 3.781877  3.875670       7.563755 
1 1 1 -8  16 28 o 20.60723 4.604381  -18.24942      9.208762 
1 1 1 -8  16 29 o 15.89098 4.381782  -2.593217      8.763563 
1 1 1 -8  16 30 o 26.29610 4.096759  -19.00102      8.193519 
1 1 1 -8  16 31 o 14.22916 4.168366  9.210056       8.336732 
1 1 1 -8  17 1  o 127.7375 3.415265  1.216507       6.830529 
1 1 1 -8  17 2  o 70.02062 3.709051  1.932251       7.418102 
1 1 1 -8  17 3  f 109.6267 3.375803  7.863609       6.751606 
1 1 1 -8  17 4  o 80.28389 3.510437  -0.5097504     7.020875 
1 1 1 -8  17 5  o 142.4651 3.442213  3.105484       6.884426 
1 1 1 -8  17 6  o 31.17554 5.375983  -15.79513      10.75197 
1 1 1 -8  17 7  o 74.98301 3.607594  1.802277       7.215189 
1 1 1 -8  17 8  o 181.5592 3.800385  -12.09776      7.600769 
1 1 1 -8  17 9  o 230.9907 4.202205  5.412262       8.404409 
1 1 1 -8  17 10 o 155.9576 3.662336  -6.747849      7.324673 
1 1 1 -8  17 11 o 72.24348 4.501655  19.64080       9.003309 
1 1 1 -8  17 12 o 58.78082 5.073553  19.44519       10.14711 
1 1 1 -8  17 13 o 31.46511 5.829997  3.906630       11.65999 
1 1 1 -8  17 14 o 90.97997 3.951034  ?              ?        
1 1 1 -8  17 15 o 154.8515 3.853340  -8.079483      7.706681 
1 1 1 -8  17 16 o 39.76707 5.779952  -7.914986      11.55990 
1 1 1 -8  17 17 o 108.0491 3.530947  6.813782       7.061895 
1 1 1 -8  17 18 o 59.94584 4.348486  2.681561       8.696972 
1 1 1 -8  17 19 o 22.24687 6.204780  -1.212774      12.40956 
1 1 1 -8  17 20 o 27.57704 5.740470  -14.95196      11.48094 
1 1 1 -8  17 21 o 48.07123 5.440253  -2.730927      10.88051 
1 1 1 -8  17 22 o 23.25233 5.688739  -7.008835      11.37748 
1 1 1 -8  17 23 o 23.63586 6.033414  4.103821       12.06683 
1 1 1 -8  17 24 o 21.10495 5.034801  -10.46797      10.06960 
1 1 1 -8  17 25 o 18.44184 6.390551  ?              ?        
1 1 1 -8  17 26 o 16.44505 5.037787  3.192278       10.07557 
1 1 1 -8  17 27 o 39.03901 4.113999  -21.34344      8.227999 
1 1 1 -8  17 28 o 21.86295 3.585963  -20.28703      7.171925 
1 1 1 -8  17 29 o 14.93130 4.196044  -5.291013      8.392089 
1 1 1 -8  17 30 o 12.56202 3.813552  -6.872793      7.627103 
1 1 1 -8  18 1  o 131.5505 4.995267  ?              ?        
1 1 1 -8  18 2  o 96.09141 3.511549  12.88074       7.023099 
1 1 1 -8  18 3  o 59.14130 4.008014  2.919067       8.016028 
1 1 1 -8  18 4  o 93.23852 3.519935  5.680542       7.039870 
1 1 1 -8  18 5  o 84.84015 3.610820  -0.7937775     7.221640 
1 1 1 -8  18 6  o 54.11583 4.358224  9.460941       8.716448 
1 1 1 -8  18 7  o 141.4505 3.649274  -0.4921112     7.298549 
1 1 1 -8  18 8  f 70.35421 5.738951  ?              ?        
1 1 1 -8  18 9  o 141.9096 3.651603  -0.8803864     7.303205 
1 1 1 -8  18 10 f 127.1571 3.696743  -3.720612      7.393487 
1 1 1 -8  18 11 o 102.4737 6.523060  ?              ?        
1 1 1 -8  18 12 x ?        ?         ?              ?        
1 1 1 -8  18 13 o 85.39124 4.460583  15.38097       8.921166 
1 1 1 -8  18 14 o 95.00587 3.619597  5.862961       7.239194 
1 1 1 -8  18 15 o 135.5847 3.510825  -5.134567      7.021649 
1 1 1 -8  18 16 o 64.64199 4.583983  -5.192154      9.167966 
1 1 1 -8  18 17 o 152.3554 3.586022  10.01917       7.172044 
1 1 1 -8  18 18 f 51.74495 5.005286  -6.534599      10.01057 
1 1 1 -8  18 19 o 65.68011 4.388689  0.7585297      8.777378 
1 1 1 -8  18 20 f 74.14101 4.049174  -0.7647781     8.098348 
1 1 1 -8  18 21 o 33.35094 6.878712  4.082693       13.75742 
1 1 1 -8  18 22 o 35.37994 5.647479  6.119301       11.29496 
1 1 1 -8  18 23 o 44.89087 4.648168  ?              ?        
1 1 1 -8  18 24 o 31.58302 5.605411  7.162825       11.21082 
1 1 1 -8  18 25 o 33.76715 5.176579  -23.02511      10.35316 
1 1 1 -8  18 26 o 16.63521 4.383230  -6.952329      8.766459 
1 1 1 -8  18 27 o 22.56640 4.784111  -0.5158043     9.568222 
1 1 1 -8  18 28 f 32.53812 4.100836  -18.73369      8.201673 
1 1 1 -8  18 29 o 22.12822 3.305159  -24.66098      6.610318 
1 1 1 -8  19 1  o 96.60094 5.201374  ?              ?        
1 1 1 -8  19 2  o 56.75689 4.279026  -2.544586      8.558052 
1 1 1 -8  19 3  o 81.40913 4.050031  15.56586       8.100061 
1 1 1 -8  19 4  o 104.3181 5.017428  ?              ?        
1 1 1 -8  19 5  o 47.99140 4.935379  -2.274948      9.870758 
1 1 1 -8  19 6  o 53.11246 4.564910  10.41431       9.129820 
1 1 1 -8  19 7  o 43.93194 5.226753  -5.091125      10.45351 
1 1 1 -8  19 8  o 97.69847 5.071433  ?              ?        
1 1 1 -8  19 9  x ?        ?         ?              ?        
1 1 1 -8  19 10 o 28.72999 9.181458  ?              ?        
1 1 1 -8  19 11 o 65.09714 6.321812  ?              ?        
1 1 1 -8  19 12 o 52.74171 6.602611  28.31459       13.20522 
1 1 1 -8  19 13 o 55.52744 6.019354  -4.916874      12.03871 
1 1 1 -8  19 14 o 108.4780 3.706554  5.402008       7.413107 
1 1 1 -8  19 15 o 98.84476 3.758830  -5.860489      7.517659 
1 1 1 -8  19 16 o 56.93207 4.824748  6.712006       9.649495 
1 1 1 -8  19 17 o 110.3043 3.647842  -17.42870      7.295683 
1 1 1 -8  19 18 o 39.06598 6.145008  -13.91315      12.29002 
1 1 1 -8  19 19 o 78.67114 4.534190  -7.751869      9.068379 
1 1 1 -8  19 20 o 21.91303 5.792969  -5.731663      11.58594 
1 1 1 -8  19 21 o 22.63579 7.859907  ?              ?        
1 1 1 -8  19 22 o 68.46265 3.729313  0.5707550      7.458626 
1 1 1 -8  19 23 o 39.23594 5.673840  -14.25961      11.34768 
1 1 1 -8  19 24 o 24.75385 4.941861  -7.609140      9.883722 
1 1 1 -8  19 25 o 14.47410 4.280378  -3.967452      8.560757 
1 1 1 -8  19 26 o 36.26625 4.308474  -5.267792      8.616947 
1 1 1 -8  19 27 o 12.86753 3.961790  -2.697248      7.923580 
1 1 1 -8  19 28 o 12.50234 4.107777  -1.549725      8.215553 
1 1 1 -8  20 1  o 73.71544 5.948621  ?              ?        
1 1 1 -8  20 2  o 46.14886 6.961138  ?              ?        
1 1 1 -8  20 3  o 33.48087 6.419460  0.1659393      12.83892 
1 1 1 -8  20 4  o 88.66136 5.665689  ?              ?        
1 1 1 -8  20 5  o 76.59307 5.832543  ?              ?        
1 1 1 -8  20 6  o 159.4471 3.909459  -5.682175      7.818917 
1 1 1 -8  20 7  o 137.2881 3.868978  8.687027       7.737956 
1 1 1 -8  20 8  o 103.5556 5.395304  ?              ?        
1 1 1 -8  20 9  o 21.93140 8.661711  ?              ?        
1 1 1 -8  20 10 o 29.87412 9.982201  ?              ?        
1 1 1 -8  20 11 o 75.51030 6.555821  ?              ?        
1 1 1 -8  20 12 o 90.63794 4.781822  -11.69313      9.563644 
1 1 1 -8  20 13 f 108.8751 4.616896  6.740410       9.233791 
1 1 1 -8  20 14 o 39.07406 6.310073  16.58250       12.62015 
1 1 1 -8  20 15 o 87.71995 4.116343  -8.356995      8.232687 
1 1 1 -8  20 16 o 30.72833 7.517515  4.112131       15.03503 
1 1 1 -8  20 17 o 80.86091 4.596169  17.13770       9.192338 
1 1 1 -8  20 18 o 126.0029 3.609503  -4.657982      7.219006 
1 1 1 -8  20 19 o 40.73617 5.828074  ?              ?        
1 1 1 -8  20 20 o 28.00792 5.908662  19.12662       11.81732 
1 1 1 -8  20 21 o 35.28032 5.522745  0.2666206      11.04549 
1 1 1 -8  20 22 o 20.03387 5.148205  9.996816       10.29641 
1 1 1 -8  20 23 o 35.18955 4.819252  19.83099       9.638505 
1 1 1 -8  20 24 o 19.80742 4.672651  -5.708982      9.345302 
1 1 1 -8  20 25 o 17.80463 4.549440  -4.729117      9.098880 
1 1 1 -8  20 26 o 15.60811 4.640790  4.770726       9.281581 
1 1 1 -8  20 27 o 32.28666 5.032817  -11.84406      10.06563 
1 1 1 -8  21 1  o 51.14977 7.618871  ?              ?        
1 1 1 -8  21 2  o 61.60329 6.523594  ?              ?        
1 1 1 -8  21 3  x ?        ?         ?              ?        
1 1 1 -8  21 4  o 121.2113 3.888431  -1.786476      7.776861 
1 1 1 -8  21 5  o 114.9713 3.943666  5.812988       7.887332 
1 1 1 -8  21 6  o 78.69067 4.385832  3.544922       8.771665 
1 1 1 -8  21 7  o 79.51224 4.517273  -0.7692642     9.034547 
1 1 1 -8  21 8  o 90.35564 5.705940  ?              ?        
1 1 1 -8  21 9  o 60.51367 7.001019  ?              ?        
1 1 1 -8  21 10 o 154.8012 5.645809  ?              ?        
1 1 1 -8  21 11 o 55.86783 7.772122  ?              ?        
1 1 1 -8  21 12 f 50.30324 8.218371  ?              ?        
1 1 1 -8  21 13 o 48.75346 7.229108  -23.23242      14.45822 
1 1 1 -8  21 14 o 53.51997 6.400282  20.17940       12.80056 
1 1 1 -8  21 15 o 95.71210 3.756346  -5.152084      7.512693 
1 1 1 -8  21 16 o 21.09257 5.920265  -3.299820      11.84053 
1 1 1 -8  21 17 o 47.27765 5.413087  ?              ?        
1 1 1 -8  21 18 o 32.44032 6.423862  -4.341934      12.84772 
1 1 1 -8  21 19 o 42.50013 4.846303  -0.1121025     9.692605 
1 1 1 -8  21 20 o 20.04180 5.551300  7.759863       11.10260 
1 1 1 -8  21 21 o 43.19444 4.750154  -0.7287979     9.500308 
1 1 1 -8  21 22 o 23.11957 5.187440  -4.710106      10.37488 
1 1 1 -8  21 23 o 22.00652 4.549163  -9.678715      9.098327 
1 1 1 -8  21 24 o 19.55669 4.706212  2.247641       9.412423 
1 1 1 -8  21 25 o 16.50293 4.793553  3.419314       9.587106 
1 1 1 -8  21 26 o 14.44143 4.512417  -5.024462      9.024835 
1 1 1 -8  22 1  o 36.92122 9.800992  ?              ?        
1 1 1 -8  22 2  o 24.44134 9.322235  ?              ?        
1 1 1 -8  22 3  x ?        ?         ?              ?        
1 1 1 -8  22 4  o 51.28609 8.545021  ?              ?        
1 1 1 -8  22 5  o 31.53774 6.706774  -6.403343      13.41355 
1 1 1 -8  22 6  o 124.2570 4.055342  -2.427490      8.110683 
1 1 1 -8  22 7  o 24.82016 6.195582  12.20847       12.39116 
1 1 1 -8  22 8  o 103.0204 5.903358  ?              ?        
1 1 1 -8  22 9  o 26.47503 9.354424  ?              ?        
1 1 1 -8  22 10 o 59.54420 7.037182  ?              ?        
1 1 1 -8  22 11 o 34.30047 9.859899  ?              ?        
1 1 1 -8  22 12 f 29.96397 10.29976  ?              ?        
1 1 1 -8  22 13 o 36.09334 7.353089  -8.767887      14.70618 
1 1 1 -8  22 14 o 98.56335 6.744735  ?              ?        
1 1 1 -8  22 15 o 18.12179 5.658551  6.417465       11.31710 
1 1 1 -8  22 16 o 24.22274 5.614938  -11.23617      11.22988 
1 1 1 -8  22 17 o 24.22230 5.344265  -10.28692      10.68853 
1 1 1 -8  22 18 o 33.11444 5.619654  0.5562134      11.23931 
1 1 1 -8  22 19 o 33.45479 5.203244  -7.731844      10.40649 
1 1 1 -8  22 20 o 15.98969 4.958359  3.519583       9.916718 
1 1 1 -8  22 21 o 32.17378 4.584805  -3.764473      9.169611 
1 1 1 -8  22 22 o 25.38125 5.555108  -8.664194      11.11022 
1 1 1 -8  22 23 o 17.83882 5.218216  -0.5972176     10.43643 
1 1 1 -8  22 24 o 18.98705 5.129857  -8.553284      10.25971 
1 1 1 -8  22 25 o 13.52442 6.347269  ?              ?        
1 1 1 -8  23 1  o 28.11408 9.853059  ?              ?        
1 1 1 -8  23 2  o 68.46622 6.913390  ?              ?        
1 1 1 -8  23 3  o 54.10184 7.779077  ?              ?        
1 1 1 -8  23 4  o 28.64046 9.734182  ?              ?        
1 1 1 -8  23 5  o 56.71440 7.568766  ?              ?        
1 1 1 -8  23 6  o 25.85377 9.562560  ?              ?        
1 1 1 -8  23 7  f 88.80859 5.979505  ?              ?        
1 1 1 -8  23 8  o 38.29981 8.926878  ?              ?        
1 1 1 -8  23 9  o 87.98232 5.945194  ?              ?        
1 1 1 -8  23 10 o 19.86445 8.475456  ?              ?        
1 1 1 -8  23 11 x ?        ?         ?              ?        
1 1 1 -8  23 12 o 49.52714 7.741305  ?              ?        
1 1 1 -8  23 13 o 61.36600 4.935430  -8.568893      9.870859 
1 1 1 -8  23 14 o 25.79507 6.183233  13.11773       12.36647 
1 1 1 -8  23 15 o 19.86905 5.415081  -1.520578      10.83016 
1 1 1 -8  23 16 o 53.84464 4.016261  -3.146835      8.032521 
1 1 1 -8  23 17 o 14.90459 4.724477  4.066650       9.448954 
1 1 1 -8  23 18 o 23.13800 5.206028  -5.182903      10.41206 
1 1 1 -8  23 19 o 33.83384 4.453345  -19.68352      8.906691 
1 1 1 -8  23 20 o 14.79733 4.711623  -6.752447      9.423246 
1 1 1 -8  23 21 o 23.78484 5.291267  -14.41026      10.58253 
1 1 1 -8  23 22 o 15.06671 4.727918  0.4708157      9.455835 
1 1 1 -8  23 23 o 22.93636 8.182907  ?              ?        
1 1 1 -8  24 1  x ?        ?         ?              ?        
1 1 1 -8  24 2  x ?        ?         ?              ?        
1 1 1 -8  24 3  o 20.33564 8.822652  ?              ?        
1 1 1 -8  24 4  f 45.73955 8.967705  ?              ?        
1 1 1 -8  24 5  o 61.59697 7.618115  ?              ?        
1 1 1 -8  24 6  o 43.37638 8.885170  ?              ?        
1 1 1 -8  24 7  o 22.70488 8.958546  ?              ?        
1 1 1 -8  24 8  o 18.79028 7.953062  ?              ?        
1 1 1 -8  24 9  o 97.53265 5.748632  ?              ?        
1 1 1 -8  24 10 o 65.23347 6.138171  ?              ?        
1 1 1 -8  24 11 o 62.00801 6.552375  ?              ?        
1 1 1 -8  24 12 o 55.24487 6.617774  ?              ?        
1 1 1 -8  24 13 o 16.71758 7.507035  ?              ?        
1 1 1 -8  24 14 o 16.24843 5.187898  -1.485066      10.37580 
1 1 1 -8  24 15 o 24.55965 5.566908  1.914410       11.13382 
1 1 1 -8  24 16 o 13.25035 4.274063  0.1434631      8.548125 
1 1 1 -8  24 17 o 39.86923 4.044150  -6.209045      8.088300 
1 1 1 -8  24 18 o 21.82577 4.628514  16.15583       9.257028 
1 1 1 -8  24 19 f 15.46515 4.874969  -4.383689      9.749939 
1 1 1 -8  24 20 o 24.39616 8.681495  ?              ?        
1 1 1 -8  24 21 o 11.98362 5.790834  ?              ?        
1 1 1 -8  24 22 x ?        ?         ?              ?        
1 1 1 -8  25 1  o 32.31967 6.509787  ?              ?        
1 1 1 -8  25 2  f 14.69295 6.883638  ?              ?        
1 1 1 -8  25 3  o 39.47870 8.990664  ?              ?        
1 1 1 -8  25 4  o 70.60155 6.509578  ?              ?        
1 1 1 -8  25 5  o 17.47496 7.802675  ?              ?        
1 1 1 -8  25 6  o 36.15816 8.828536  ?              ?        
1 1 1 -8  25 7  o 68.23242 6.323174  ?              ?        
1 1 1 -8  25 8  o 49.20171 7.498515  ?              ?        
1 1 1 -8  25 9  o 78.90503 6.146966  ?              ?        
1 1 1 -8  25 10 o 24.09468 9.114714  ?              ?        
1 1 1 -8  25 11 o 46.12403 7.500628  ?              ?        
1 1 1 -8  25 12 o 64.91470 5.981012  ?              ?        
1 1 1 -8  25 13 o 20.66430 8.076441  ?              ?        
1 1 1 -8  25 14 o 20.00033 5.027926  -17.45494      10.05585 
1 1 1 -8  25 15 o 19.94169 5.506148  -5.427212      11.01230 
1 1 1 -8  25 16 o 38.17451 5.954227  0.6143112      11.90845 
1 1 1 -8  25 17 o 25.84806 5.815752  -6.441948      11.63150 
1 1 1 -8  25 18 o 17.64344 7.713355  ?              ?        
1 1 1 -8  25 19 x ?        ?         ?              ?        
1 1 1 -8  25 20 x ?        ?         ?              ?        
1 1 1 -8  26 1  o 36.03174 5.741180  ?              ?        
1 1 1 -8  26 2  o 44.71994 4.766746  ?              ?        
1 1 1 -8  26 3  o 32.00503 8.245110  ?              ?        
1 1 1 -8  26 4  x ?        ?         ?              ?        
1 1 1 -8  26 5  o 41.34221 6.317302  ?              ?        
1 1 1 -8  26 6  o 13.76928 6.323579  ?              ?        
1 1 1 -8  26 7  o 16.35797 6.869213  ?              ?        
1 1 1 -8  26 8  x ?        ?         ?              ?        
1 1 1 -8  26 9  o 23.42079 7.944066  ?              ?        
1 1 1 -8  26 10 o 24.47302 7.818044  ?              ?        
1 1 1 -8  26 11 o 37.62134 7.013069  ?              ?        
1 1 1 -8  26 12 o 27.25447 7.961388  ?              ?        
1 1 1 -8  26 13 o 18.03510 7.304237  ?              ?        
1 1 1 -8  26 14 o 16.06841 7.312321  ?              ?        
1 1 1 -8  26 15 x ?        ?         ?              ?        
1 1 1 -8  26 16 x ?        ?         ?              ?        
1 1 1 -8  26 17 x ?        ?         ?              ?        
1 1 1 -8  26 18 x ?        ?         ?              ?        
1 1 1 -8  27 1  o 11.39435 5.168969  ?              ?        
1 1 1 -8  27 2  o 19.71470 6.095207  ?              ?        
1 1 1 -8  27 3  o 24.15771 5.470144  ?              ?        
1 1 1 -8  27 4  x ?        ?         ?              ?        
1 1 1 -8  27 5  o 13.45882 5.847742  ?              ?        
1 1 1 -8  27 6  o 18.64690 7.064625  ?              ?        
1 1 1 -8  27 7  x ?        ?         ?              ?        
1 1 1 -8  27 8  x ?        ?         ?              ?        
1 1 1 -8  27 9  x ?        ?         ?              ?        
1 1 1 -8  27 10 x ?        ?         ?              ?        
1 1 1 -8  27 11 x ?        ?         ?              ?        
1 1 1 -8  27 12 x ?        ?         ?              ?        
1 1 1 -8  27 13 x ?        ?         ?              ?        
1 1 1 -8  27 14 x ?        ?         ?              ?        
1 1 1 -8  27 15 x ?        ?         ?              ?        
1 1 1 -8  28 1  x ?        ?         ?              ?        
1 1 1 -8  28 2  x ?        ?         ?              ?        
1 1 1 -8  28 3  x ?        ?         ?              ?        
1 1 1 -8  28 4  x ?        ?         ?              ?        
1 1 1 -8  28 5  x ?        ?         ?              ?        
1 1 1 -8  28 6  x ?        ?         ?              ?        
1 1 1 -8  28 7  x ?        ?         ?              ?        
1 1 1 -8  28 8  x ?        ?         ?              ?        
1 1 1 -8  28 9  x ?        ?         ?              ?        
1 1 1 -8  28 10 x ?        ?         ?              ?        
1 1 1 -8  28 11 x ?        ?         ?              ?        
1 1 1 -8  28 12 x ?        ?         ?              ?        
1 1 1 -8  29 1  x ?        ?         ?              ?        
1 1 1 -8  29 2  x ?        ?         ?              ?        
1 1 1 -8  29 3  x ?        ?         ?              ?        
1 1 1 -8  29 4  x ?        ?         ?              ?        
1 1 1 -8  29 5  x ?        ?         ?              ?        
1 1 1 -8  29 6  x ?        ?         ?              ?        
1 1 1 -8  29 7  x ?        ?         ?              ?        
1 1 1 -7  0  1  o 544.1946 7.219103  -0.000000      0.000000 
1 1 1 -7  0  2  o 502.5693 9.463530  -0.000000      0.000000 
1 1 1 -7  0  3  x ?        ?         ?              ?        
1 1 1 -7  0  4  o 35.22020 1.741865  -0.000000      0.000000 
1 1 1 -7  0  5  o 40.11202 1.297304  -0.000000      0.000000 
1 1 1 -7  0  6  o 98.81216 1.616525  -0.000000      0.000000 
1 1 1 -7  0  7  o 273.1096 3.711283  -0.000000      0.000000 
1 1 1 -7  0  8  o 265.6573 5.152602  0.000000       0.000000 
1 1 1 -7  0  9  o 154.9410 3.264973  -0.000000      0.000000 
1 1 1 -7  0  10 o 93.77743 1.659360  -0.000000      0.000000 
1 1 1 -7  0  11 o 170.5466 2.495414  -0.000000      0.000000 
1 1 1 -7  0  12 o 399.5970 5.377685  -0.000000      0.000000 
1 1 1 -7  0  13 o 254.0028 3.533429  -0.000000      0.000000 
1 1 1 -7  0  14 o 140.4689 3.003969  -0.000000      0.000000 
1 1 1 -7  0  15 x ?        ?         ?              ?        
1 1 1 -7  0  16 o 190.5547 2.827835  -0.000000      0.000000 
1 1 1 -7  0  17 o 10.12541 5.832703  -0.000000      0.000000 
1 1 1 -7  0  18 o 22.11343 5.014307  -0.000000      0.000000 
1 1 1 -7  0  19 o 72.18859 2.122338  0.000000       0.000000 
1 1 1 -7  0  20 o 55.93516 2.176070  -0.000000      0.000000 
1 1 1 -7  0  21 o 135.1683 2.446975  -0.000000      0.000000 
1 1 1 -7  0  22 o 75.40663 2.247005  -0.000000      0.000000 
1 1 1 -7  0  23 o 77.98946 2.280886  -0.000000      0.000000 
1 1 1 -7  0  24 o 42.96784 2.776031  -0.000000      0.000000 
1 1 1 -7  0  25 o 204.6925 3.234922  -0.000000      0.000000 
1 1 1 -7  0  26 o 16.70231 6.555172  -0.000000      0.000000 
1 1 1 -7  0  27 o 24.89067 5.399333  -0.000000      0.000000 
1 1 1 -7  0  28 o 97.18036 2.778589  -0.000000      0.000000 
1 1 1 -7  0  29 o 50.25795 6.176776  -0.000000      0.000000 
1 1 1 -7  0  30 x ?        ?         ?              ?        
1 1 1 -7  0  31 o 62.69863 3.387531  -0.000000      0.000000 
1 1 1 -7  0  32 o 40.92285 4.140944  -0.000000      0.000000 
1 1 1 -7  0  33 o 39.04930 3.974286  -0.000000      0.000000 
1 1 1 -7  0  34 o 76.08081 3.144833  -0.000000      0.000000 
1 1 1 -7  0  35 o 7.625035 5.276584  -0.000000      0.000000 
1 1 1 -7  0  36 o 31.09188 7.726545  -0.000000      0.000000 
1 1 1 -7  0  37 o 19.90258 7.540524  -0.000000      0.000000 
1 1 1 -7  1  1  o 194.3349 1.937421  0.1743774      3.874843 
1 1 1 -7  1  2  o 33.49852 1.205634  0.2043457      2.411269 
1 1 1 -7  1  3  f 549.0550 5.177561  0.4187012E-01  10.35512 
1 1 1 -7  1  4  o 320.7382 4.343152  -7.050323      8.686303 
1 1 1 -7  1  5  o 90.23453 1.136931  -0.8716354     2.273862 
1 1 1 -7  1  6  o 122.9052 1.363429  -2.182503      2.726859 
1 1 1 -7  1  7  o 215.5785 2.138731  -12.35255      4.277462 
1 1 1 -7  1  8  o 92.41891 1.689379  -2.151031      3.378758 
1 1 1 -7  1  9  o 33.22818 1.928267  0.5295219      3.856533 
1 1 1 -7  1  10 o 109.0891 1.300663  -2.443230      2.601326 
1 1 1 -7  1  11 o 88.68005 1.818697  -31.61802      3.637394 
1 1 1 -7  1  12 o 42.74572 1.251969  -3.209568      2.503938 
1 1 1 -7  1  13 f 310.9962 3.010148  4.398682       6.020296 
1 1 1 -7  1  14 o 378.5172 5.114068  12.57208       10.22814 
1 1 1 -7  1  15 f 329.9608 3.201591  -1.959747      6.403182 
1 1 1 -7  1  16 o 208.1705 2.167306  5.238922       4.334612 
1 1 1 -7  1  17 o 70.01596 1.496029  2.401901       2.992059 
1 1 1 -7  1  18 o 189.4861 2.052157  -7.185684      4.104313 
1 1 1 -7  1  19 o 190.0365 2.060915  2.422867       4.121829 
1 1 1 -7  1  20 o 180.0165 2.006672  -11.27098      4.013345 
1 1 1 -7  1  21 o 182.7194 2.043316  -4.923248      4.086632 
1 1 1 -7  1  22 o 199.9958 2.200789  5.486465       4.401578 
1 1 1 -7  1  23 o 24.45203 2.771454  -7.327185      5.542909 
1 1 1 -7  1  24 o 70.57646 1.623739  -0.3714828     3.247478 
1 1 1 -7  1  25 o 118.0065 1.770190  0.2534866      3.540381 
1 1 1 -7  1  26 o 79.11792 1.770393  4.322533       3.540785 
1 1 1 -7  1  27 o 62.43862 1.947386  2.477325       3.894771 
1 1 1 -7  1  28 o 134.1792 2.011670  3.605713       4.023340 
1 1 1 -7  1  29 o 81.52347 3.406006  3.003510       6.812013 
1 1 1 -7  1  30 o 77.51389 2.090149  -7.472214      4.180297 
1 1 1 -7  1  31 o 43.26365 3.116385  6.525787       6.232769 
1 1 1 -7  1  32 o 33.34911 3.246829  3.028610       6.493659 
1 1 1 -7  1  33 o 47.54833 2.612487  3.525383       5.224975 
1 1 1 -7  1  34 o 45.82282 2.687056  -2.705254      5.374113 
1 1 1 -7  1  35 o 10.96427 3.561059  2.020311       7.122117 
1 1 1 -7  1  36 o 15.04168 4.538073  0.1874781      9.076146 
1 1 1 -7  1  37 o 19.90879 4.360803  -2.877352      8.721606 
1 1 1 -7  2  1  o 106.0068 1.865268  1.842415       3.730535 
1 1 1 -7  2  2  o 252.5709 2.505166  -13.16090      5.010333 
1 1 1 -7  2  3  o 312.9944 3.795163  -11.73141      7.590326 
1 1 1 -7  2  4  o 252.3931 3.049898  -4.085663      6.099795 
1 1 1 -7  2  5  o 137.6048 1.557774  -1.154449      3.115549 
1 1 1 -7  2  6  o 156.9852 1.708382  -1.076065      3.416764 
1 1 1 -7  2  7  o 102.7829 1.343527  2.958733       2.687054 
1 1 1 -7  2  8  o 236.2205 3.360831  2.635284       6.721661 
1 1 1 -7  2  9  o 122.5591 2.088544  -5.357971      4.177087 
1 1 1 -7  2  10 o 330.8642 3.207334  -3.311554      6.414668 
1 1 1 -7  2  11 o 280.9347 3.919364  1.977783       7.838727 
1 1 1 -7  2  12 o 171.0921 1.842831  4.697723       3.685662 
1 1 1 -7  2  13 o 250.1503 3.021032  -7.263412      6.042064 
1 1 1 -7  2  14 o 22.97645 2.406794  5.810253       4.813589 
1 1 1 -7  2  15 f 485.9822 4.633439  11.34030       9.266878 
1 1 1 -7  2  16 o 147.5885 1.751948  0.3483124      3.503895 
1 1 1 -7  2  17 o 181.5236 1.998885  -5.752228      3.997770 
1 1 1 -7  2  18 o 37.43616 2.574401  1.197838       5.148802 
1 1 1 -7  2  19 o 68.85371 1.585078  11.70826       3.170156 
1 1 1 -7  2  20 o 77.28915 1.911341  9.902924       3.822681 
1 1 1 -7  2  21 o 190.7651 2.111044  1.700302       4.222088 
1 1 1 -7  2  22 o 72.40067 1.895025  0.1890564E-01  3.790051 
1 1 1 -7  2  23 o 155.6287 1.922176  -7.404449      3.844351 
1 1 1 -7  2  24 o 29.80307 2.672535  -8.252190      5.345071 
1 1 1 -7  2  25 o 93.59132 1.719611  -0.2762375     3.439221 
1 1 1 -7  2  26 o 76.40535 1.815786  -2.011360      3.631571 
1 1 1 -7  2  27 o 17.24019 3.902662  11.46078       7.805325 
1 1 1 -7  2  28 o 42.18438 2.589517  3.759754       5.179035 
1 1 1 -7  2  29 o 73.26271 2.988809  2.097374       5.977617 
1 1 1 -7  2  30 o 42.27701 2.871478  -0.8864594E-01 5.742956 
1 1 1 -7  2  31 o 31.48414 3.881444  -12.71732      7.762887 
1 1 1 -7  2  32 o 17.42018 4.346637  3.617686       8.693274 
1 1 1 -7  2  33 o 27.11748 3.810958  -7.633890      7.621916 
1 1 1 -7  2  34 o 22.72856 4.487277  3.101767       8.974553 
1 1 1 -7  2  35 o 17.18950 4.201973  7.365462       8.403946 
1 1 1 -7  2  36 o 14.15921 4.402227  0.4478569      8.804454 
1 1 1 -7  2  37 o 16.30614 4.119715  -5.268764      8.239429 
1 1 1 -7  3  1  o 98.91686 1.907300  ?              ?        
1 1 1 -7  3  2  o 18.21935 2.793574  -1.619764      5.587148 
1 1 1 -7  3  3  o 182.7723 2.460205  1.097031       4.920409 
1 1 1 -7  3  4  o 137.1008 1.637827  0.9819946      3.275654 
1 1 1 -7  3  5  o 245.7161 2.500722  -6.912903      5.001444 
1 1 1 -7  3  6  o 72.77559 1.349477  3.942284       2.698953 
1 1 1 -7  3  7  o 216.0366 2.255128  -1.387619      4.510257 
1 1 1 -7  3  8  o 87.72798 1.767673  0.7986832      3.535347 
1 1 1 -7  3  9  o 119.7229 2.192334  -9.240021      4.384669 
1 1 1 -7  3  10 o 122.8658 1.574004  -3.167831      3.148007 
1 1 1 -7  3  11 o 244.0959 3.060843  -9.052704      6.121687 
1 1 1 -7  3  12 o 476.6852 4.559336  -1.763947      9.118671 
1 1 1 -7  3  13 o 274.4781 3.906256  4.824615       7.812511 
1 1 1 -7  3  14 o 363.3479 3.541674  10.69571       7.083348 
1 1 1 -7  3  15 o 308.0454 3.063886  -1.982941      6.127772 
1 1 1 -7  3  16 o 168.3215 1.959279  7.542450       3.918558 
1 1 1 -7  3  17 o 98.40289 1.679052  1.018456       3.358104 
1 1 1 -7  3  18 o 78.00453 2.606537  -0.9292450     5.213074 
1 1 1 -7  3  19 o 153.9695 1.885140  4.478745       3.770280 
1 1 1 -7  3  20 f 213.9808 3.329009  7.143005       6.658017 
1 1 1 -7  3  21 o 80.33047 1.657622  -9.653671      3.315244 
1 1 1 -7  3  22 o 89.16779 2.205638  -4.152267      4.411275 
1 1 1 -7  3  23 o 10.87747 3.341831  0.6430531E-01  6.683661 
1 1 1 -7  3  24 o 106.4194 1.727983  -1.283310      3.455966 
1 1 1 -7  3  25 f 63.21873 1.905195  -2.228790      3.810390 
1 1 1 -7  3  26 o 82.12170 1.877267  -10.37106      3.754535 
1 1 1 -7  3  27 o 67.39780 2.002915  0.2136002      4.005830 
1 1 1 -7  3  28 o 29.61180 4.770393  -2.836201      9.540786 
1 1 1 -7  3  29 o 44.77086 2.906929  -4.234673      5.813857 
1 1 1 -7  3  30 o 41.53932 3.796301  -6.292835      7.592603 
1 1 1 -7  3  31 o 37.08188 3.117698  3.694233       6.235396 
1 1 1 -7  3  32 o 27.49989 3.948470  -8.050276      7.896940 
1 1 1 -7  3  33 o 41.29573 3.580282  ?              ?        
1 1 1 -7  3  34 o 31.97337 4.104209  -14.86614      8.208418 
1 1 1 -7  3  35 o 25.34250 4.253383  -6.028440      8.506766 
1 1 1 -7  3  36 o 14.10155 4.264932  1.430223       8.529864 
1 1 1 -7  3  37 o 27.65294 4.324492  -20.04072      8.648985 
1 1 1 -7  4  1  o 22.26343 2.897728  0.9136868      5.795457 
1 1 1 -7  4  2  o 111.7292 1.980603  -14.01521      3.961205 
1 1 1 -7  4  3  o 81.55914 2.135179  ?              ?        
1 1 1 -7  4  4  o 301.3156 3.019756  -2.555054      6.039512 
1 1 1 -7  4  5  o 156.4369 1.855934  -9.380280      3.711868 
1 1 1 -7  4  6  o 214.1396 2.295463  1.672440       4.590925 
1 1 1 -7  4  7  o 252.7590 2.612096  4.687134       5.224192 
1 1 1 -7  4  8  o 202.9597 2.708317  -2.798813      5.416634 
1 1 1 -7  4  9  o 351.0406 4.239102  -3.808105      8.478204 
1 1 1 -7  4  10 o 556.8040 7.565826  33.53363       15.13165 
1 1 1 -7  4  11 o 208.6683 2.262020  -5.387283      4.524040 
1 1 1 -7  4  12 o 96.13997 1.972815  4.357277       3.945630 
1 1 1 -7  4  13 o 184.5595 2.097132  6.329636       4.194265 
1 1 1 -7  4  14 o 173.2150 2.031553  -8.751053      4.063106 
1 1 1 -7  4  15 o 45.62517 2.230322  -7.929226      4.460644 
1 1 1 -7  4  16 o 258.3511 2.701794  3.921936       5.403588 
1 1 1 -7  4  17 o 141.4726 1.896264  5.058823       3.792529 
1 1 1 -7  4  18 o 284.8150 4.218274  -0.5744629     8.436548 
1 1 1 -7  4  19 o 99.71108 1.941251  -6.269409      3.882503 
1 1 1 -7  4  20 o 113.3948 2.389066  4.482330       4.778131 
1 1 1 -7  4  21 o 22.59718 3.345667  -11.35098      6.691335 
1 1 1 -7  4  22 o 119.8450 2.178190  -8.209244      4.356380 
1 1 1 -7  4  23 o 131.0821 1.872247  -2.724884      3.744494 
1 1 1 -7  4  24 o 97.81479 1.824723  -2.996338      3.649446 
1 1 1 -7  4  25 o 84.32622 1.900471  -6.696846      3.800943 
1 1 1 -7  4  26 o 57.20774 2.199861  1.810158       4.399723 
1 1 1 -7  4  27 o 107.1605 2.000705  6.360504       4.001411 
1 1 1 -7  4  28 o 28.13110 6.263901  8.342216       12.52780 
1 1 1 -7  4  29 o 92.16159 2.176688  -0.3897781     4.353376 
1 1 1 -7  4  30 o 85.99127 2.957527  -12.73801      5.915053 
1 1 1 -7  4  31 o 60.14086 2.473666  -3.704906      4.947332 
1 1 1 -7  4  32 o 37.84996 3.326653  -12.10939      6.653306 
1 1 1 -7  4  33 o 33.06990 3.776051  -19.39309      7.552102 
1 1 1 -7  4  34 o 34.64503 4.507254  -32.70221      9.014508 
1 1 1 -7  4  35 o 33.47878 4.844541  ?              ?        
1 1 1 -7  4  36 o 15.67183 4.559068  -1.694245      9.118136 
1 1 1 -7  5  1  o 168.1213 2.371198  1.089233       4.742396 
1 1 1 -7  5  2  o 152.4966 2.285793  8.065353       4.571585 
1 1 1 -7  5  3  o 155.2939 2.253892  -8.650726      4.507785 
1 1 1 -7  5  4  o 135.3481 1.788551  -6.766846      3.577103 
1 1 1 -7  5  5  f 62.43852 1.587866  -4.294464      3.175731 
1 1 1 -7  5  6  o 51.09335 1.728279  7.105812       3.456558 
1 1 1 -7  5  7  o 206.0849 2.292018  1.976669       4.584036 
1 1 1 -7  5  8  o 187.4607 2.677835  7.623444       5.355669 
1 1 1 -7  5  9  o 250.3248 3.715581  -0.9115601E-01 7.431162 
1 1 1 -7  5  10 o 312.4354 3.167196  -0.3775635     6.334393 
1 1 1 -7  5  11 o 303.2616 3.089632  1.875275       6.179265 
1 1 1 -7  5  12 o 197.3983 2.782187  -4.798782      5.564374 
1 1 1 -7  5  13 o 254.5661 2.695777  4.822174       5.391553 
1 1 1 -7  5  14 o 185.8499 2.195867  2.039230       4.391735 
1 1 1 -7  5  15 o 190.3041 2.249370  -0.8876038E-01 4.498740 
1 1 1 -7  5  16 o 158.6913 2.064005  2.852066       4.128010 
1 1 1 -7  5  17 f 185.8828 2.238376  -9.297577      4.476753 
1 1 1 -7  5  18 o 146.2240 2.556668  -5.910629      5.113337 
1 1 1 -7  5  19 o 118.4664 2.620048  5.414162       5.240095 
1 1 1 -7  5  20 o 83.09754 1.807993  -4.152344      3.615986 
1 1 1 -7  5  21 f 48.75354 2.663585  2.611511       5.327171 
1 1 1 -7  5  22 o 120.9450 1.899570  2.042213       3.799139 
1 1 1 -7  5  23 o 62.24452 2.046165  -8.235260      4.092330 
1 1 1 -7  5  24 o 109.6873 1.881302  2.533203       3.762603 
1 1 1 -7  5  25 o 75.80754 1.971731  9.272133       3.943462 
1 1 1 -7  5  26 o 35.43055 3.422168  -9.329662      6.844335 
1 1 1 -7  5  27 o 73.78078 2.204332  -3.314087      4.408664 
1 1 1 -7  5  28 o 21.31600 5.496219  7.786758       10.99244 
1 1 1 -7  5  29 o 23.51357 5.334516  17.95817       10.66903 
1 1 1 -7  5  30 o 61.07131 2.718287  5.231045       5.436574 
1 1 1 -7  5  31 o 67.51991 4.014605  ?              ?        
1 1 1 -7  5  32 f 33.75903 3.647193  -7.694668      7.294386 
1 1 1 -7  5  33 o 32.44717 3.743716  -11.78943      7.487431 
1 1 1 -7  5  34 o 21.40021 4.968708  2.681290       9.937415 
1 1 1 -7  5  35 o 16.37729 4.825162  -2.908803      9.650324 
1 1 1 -7  5  36 o 19.56125 4.019680  -16.61259      8.039359 
1 1 1 -7  6  1  o 196.2536 3.049503  -5.545578      6.099006 
1 1 1 -7  6  2  o 330.1404 4.061527  1.865875       8.123054 
1 1 1 -7  6  3  o 231.1324 3.084385  9.470169       6.168770 
1 1 1 -7  6  4  o 173.2552 2.514276  0.2004395      5.028552 
1 1 1 -7  6  5  o 124.0688 1.827178  -4.175026      3.654355 
1 1 1 -7  6  6  o 164.4040 2.053254  -8.467987      4.106509 
1 1 1 -7  6  7  o 167.2195 2.082315  -4.334061      4.164629 
1 1 1 -7  6  8  o 440.1959 6.095468  -8.313599      12.19094 
1 1 1 -7  6  9  o 181.8419 2.644100  -2.213394      5.288200 
1 1 1 -7  6  10 o 115.7060 1.844975  4.360100       3.689951 
1 1 1 -7  6  11 o 280.7394 3.577435  5.962952       7.154871 
1 1 1 -7  6  12 o 68.59582 3.022296  ?              ?        
1 1 1 -7  6  13 o 97.88298 1.934011  -2.174072      3.868022 
1 1 1 -7  6  14 o 362.8076 3.653687  7.872101       7.307374 
1 1 1 -7  6  15 o 178.0435 2.244098  8.557037       4.488195 
1 1 1 -7  6  16 o 143.9812 2.068007  -4.939301      4.136013 
1 1 1 -7  6  17 o 103.4785 1.990974  4.055206       3.981948 
1 1 1 -7  6  18 o 68.36172 2.301462  10.02221       4.602923 
1 1 1 -7  6  19 o 200.3858 2.795517  2.021835       5.591034 
1 1 1 -7  6  20 o 176.2386 2.792466  3.024948       5.584933 
1 1 1 -7  6  21 o 94.99535 2.341833  6.024490       4.683666 
1 1 1 -7  6  22 o 90.40573 1.898492  5.445946       3.796983 
1 1 1 -7  6  23 o 81.77039 1.963214  3.275925       3.926429 
1 1 1 -7  6  24 o 107.2524 1.978080  0.2037048E-02  3.956159 
1 1 1 -7  6  25 o 27.19203 3.767447  1.554291       7.534895 
1 1 1 -7  6  26 o 43.29575 3.069483  -12.09027      6.138966 
1 1 1 -7  6  27 o 21.73172 4.961521  -2.805597      9.923041 
1 1 1 -7  6  28 o 61.42793 2.592426  7.060425       5.184852 
1 1 1 -7  6  29 o 74.98465 3.117265  -3.898842      6.234530 
1 1 1 -7  6  30 o 57.18671 2.682960  2.715324       5.365920 
1 1 1 -7  6  31 o 17.94345 4.743330  0.4971638      9.486659 
1 1 1 -7  6  32 o 65.96667 2.510525  -18.55062      5.021049 
1 1 1 -7  6  33 o 36.95995 3.567912  -21.92127      7.135825 
1 1 1 -7  6  34 o 48.35972 4.002132  ?              ?        
1 1 1 -7  6  35 o 42.14804 3.918777  -31.35843      7.837554 
1 1 1 -7  6  36 o 16.59704 4.387509  -13.21228      8.775018 
1 1 1 -7  7  1  o 198.9260 3.144909  -1.548340      6.289818 
1 1 1 -7  7  2  o 146.8290 2.648636  -5.796783      5.297271 
1 1 1 -7  7  3  o 205.7211 2.864772  3.078537       5.729544 
1 1 1 -7  7  4  o 373.6688 4.555563  -0.6004333     9.111126 
1 1 1 -7  7  5  o 28.10413 3.319685  -8.037994      6.639369 
1 1 1 -7  7  6  o 194.5763 3.255828  0.9800720E-01  6.511657 
1 1 1 -7  7  7  o 292.3914 3.720785  -3.748444      7.441571 
1 1 1 -7  7  8  o 120.1856 2.312174  1.158676       4.624348 
1 1 1 -7  7  9  o 48.85019 5.300168  ?              ?        
1 1 1 -7  7  10 o 376.6860 3.796733  6.438873       7.593466 
1 1 1 -7  7  11 o 306.7244 3.201431  -1.863739      6.402863 
1 1 1 -7  7  12 o 494.2160 4.834736  10.87585       9.669472 
1 1 1 -7  7  13 o 71.01667 2.269761  0.7044830      4.539522 
1 1 1 -7  7  14 o 334.0724 3.452588  1.587433       6.905176 
1 1 1 -7  7  15 o 149.8137 2.184155  -4.150452      4.368310 
1 1 1 -7  7  16 o 152.2802 2.190115  -8.489273      4.380231 
1 1 1 -7  7  17 o 208.6187 2.899591  10.48476       5.799182 
1 1 1 -7  7  18 o 127.8808 2.685418  4.982918       5.370836 
1 1 1 -7  7  19 o 166.4531 3.117840  4.344543       6.235680 
1 1 1 -7  7  20 o 108.8037 2.506977  -0.3920135     5.013953 
1 1 1 -7  7  21 o 41.84539 2.697622  -11.11915      5.395243 
1 1 1 -7  7  22 o 234.1193 2.699779  -2.037064      5.399559 
1 1 1 -7  7  23 o 90.71870 2.032588  3.316597       4.065176 
1 1 1 -7  7  24 f 89.62523 2.066105  -1.730331      4.132209 
1 1 1 -7  7  25 o 128.1243 2.173575  -1.742172      4.347150 
1 1 1 -7  7  26 o 33.04852 4.166636  -10.34690      8.333273 
1 1 1 -7  7  27 o 42.20204 4.862004  -11.87990      9.724009 
1 1 1 -7  7  28 o 92.11542 3.071254  3.386330       6.142509 
1 1 1 -7  7  29 o 38.71487 4.100602  7.553646       8.201204 
1 1 1 -7  7  30 o 33.14597 4.046223  7.565607       8.092446 
1 1 1 -7  7  31 o 89.87111 2.379103  -8.665443      4.758205 
1 1 1 -7  7  32 o 27.03538 4.084615  -14.73900      8.169230 
1 1 1 -7  7  33 o 41.49450 3.365560  -23.85736      6.731120 
1 1 1 -7  7  34 o 13.38663 4.116855  4.709578       8.233709 
1 1 1 -7  7  35 o 14.43834 4.502478  -2.423917      9.004955 
1 1 1 -7  7  36 o 26.84842 4.374839  -12.71206      8.749678 
1 1 1 -7  8  1  o 81.05672 2.358292  -3.270653      4.716585 
1 1 1 -7  8  2  o 83.70592 2.378259  9.469078       4.756517 
1 1 1 -7  8  3  o 260.0360 3.932754  0.5110779      7.865509 
1 1 1 -7  8  4  o 147.2071 3.993550  ?              ?        
1 1 1 -7  8  5  o 158.4075 3.043607  4.759567       6.087214 
1 1 1 -7  8  6  o 211.6044 3.064963  11.58260       6.129926 
1 1 1 -7  8  7  o 259.5113 3.437026  -4.441406      6.874053 
1 1 1 -7  8  8  o 20.82998 6.263428  ?              ?        
1 1 1 -7  8  9  o 309.6425 4.593250  10.23349       9.186501 
1 1 1 -7  8  10 o 128.3386 2.122857  -4.780411      4.245715 
1 1 1 -7  8  11 o 48.03233 2.787102  -4.561737      5.574203 
1 1 1 -7  8  12 o 240.4632 2.756318  7.067902       5.512635 
1 1 1 -7  8  13 o 183.1686 2.406434  5.182983       4.812869 
1 1 1 -7  8  14 o 62.60932 2.733607  2.778015       5.467214 
1 1 1 -7  8  15 o 84.76859 2.344162  5.353905       4.688325 
1 1 1 -7  8  16 f 264.6281 3.498191  9.075867       6.996381 
1 1 1 -7  8  17 o 95.40703 2.753491  2.668747       5.506983 
1 1 1 -7  8  18 o 206.2118 2.561819  2.230362       5.123638 
1 1 1 -7  8  19 o 138.5599 4.943497  ?              ?        
1 1 1 -7  8  20 o 94.07507 2.104043  -0.5785217     4.208086 
1 1 1 -7  8  21 o 149.2911 2.209749  -4.289047      4.419497 
1 1 1 -7  8  22 o 84.23833 2.097953  0.1886673      4.195906 
1 1 1 -7  8  23 o 73.02748 2.163736  -5.774513      4.327472 
1 1 1 -7  8  24 o 120.7134 2.169581  -3.706177      4.339162 
1 1 1 -7  8  25 o 43.07674 3.234761  10.35056       6.469522 
1 1 1 -7  8  26 o 60.59526 3.573422  6.471275       7.146844 
1 1 1 -7  8  27 o 48.26596 3.195996  -2.470306      6.391991 
1 1 1 -7  8  28 o 37.66853 6.243201  ?              ?        
1 1 1 -7  8  29 f 21.72579 5.039691  5.082903       10.07938 
1 1 1 -7  8  30 o 50.14257 3.486576  -21.29826      6.973153 
1 1 1 -7  8  31 o 13.69962 4.249740  2.408971       8.499480 
1 1 1 -7  8  32 o 34.46557 5.213610  ?              ?        
1 1 1 -7  8  33 f 23.83155 4.787109  -17.35580      9.574219 
1 1 1 -7  8  34 o 22.41904 3.846911  -19.63792      7.693822 
1 1 1 -7  8  35 o 12.51856 4.215089  -3.245511      8.430179 
1 1 1 -7  9  1  o 149.3558 2.823130  0.9482269      5.646261 
1 1 1 -7  9  2  o 86.17593 3.658256  ?              ?        
1 1 1 -7  9  3  o 96.31039 2.538808  -11.72157      5.077616 
1 1 1 -7  9  4  o 136.2529 2.783291  -2.494247      5.566583 
1 1 1 -7  9  5  o 143.7607 2.895139  -7.815430      5.790278 
1 1 1 -7  9  6  o 204.2741 4.806023  ?              ?        
1 1 1 -7  9  7  o 185.7709 2.902857  8.042007       5.805715 
1 1 1 -7  9  8  o 344.4881 4.375546  2.626099       8.751092 
1 1 1 -7  9  9  o 69.52724 3.284223  3.256226       6.568447 
1 1 1 -7  9  10 o 257.2603 4.072505  -0.5340271     8.145009 
1 1 1 -7  9  11 o 273.7115 3.636345  -14.03058      7.272689 
1 1 1 -7  9  12 o 293.2007 3.208112  1.227814       6.416224 
1 1 1 -7  9  13 o 174.8260 2.462332  5.141678       4.924663 
1 1 1 -7  9  14 o 221.6632 2.718666  6.914032       5.437332 
1 1 1 -7  9  15 f 99.39117 2.723271  4.923790       5.446543 
1 1 1 -7  9  16 o 203.6795 3.222135  5.098236       6.444270 
1 1 1 -7  9  17 o 236.6184 3.647116  11.00455       7.294231 
1 1 1 -7  9  18 o 153.1157 2.831089  6.339142       5.662178 
1 1 1 -7  9  19 o 89.23735 3.217088  -8.899681      6.434177 
1 1 1 -7  9  20 o 107.7351 2.198674  3.033310       4.397349 
1 1 1 -7  9  21 o 158.6069 2.328037  -8.251678      4.656074 
1 1 1 -7  9  22 o 124.9596 2.236458  -3.414894      4.472915 
1 1 1 -7  9  23 o 44.06876 2.942307  5.012161       5.884614 
1 1 1 -7  9  24 o 58.24479 2.698876  0.7194901      5.397753 
1 1 1 -7  9  25 o 37.14371 4.151448  -12.30764      8.302896 
1 1 1 -7  9  26 o 53.68479 3.319842  -14.79007      6.639683 
1 1 1 -7  9  27 o 58.89700 3.135934  -10.22240      6.271868 
1 1 1 -7  9  28 o 95.66041 3.021021  -7.441818      6.042041 
1 1 1 -7  9  29 o 31.37321 4.358946  -10.81449      8.717893 
1 1 1 -7  9  30 o 27.58170 3.747061  -24.62098      7.494122 
1 1 1 -7  9  31 o 58.68164 2.819517  -26.84251      5.639034 
1 1 1 -7  9  32 o 18.49824 4.556471  -5.671346      9.112942 
1 1 1 -7  9  33 o 56.40045 3.672481  ?              ?        
1 1 1 -7  9  34 o 49.30416 4.676500  ?              ?        
1 1 1 -7  9  35 o 15.07611 4.498047  -3.759274      8.996094 
1 1 1 -7  10 1  o 154.8620 2.986542  3.499649       5.973085 
1 1 1 -7  10 2  o 53.02440 3.028236  -3.404644      6.056472 
1 1 1 -7  10 3  o 133.4765 3.958970  ?              ?        
1 1 1 -7  10 4  o 192.8264 4.666527  ?              ?        
1 1 1 -7  10 5  o 183.0909 3.281580  10.11882       6.563160 
1 1 1 -7  10 6  o 363.7823 4.673614  15.90421       9.347227 
1 1 1 -7  10 7  o 80.56273 2.750644  -16.05035      5.501289 
1 1 1 -7  10 8  o 161.8584 2.852540  4.390564       5.705081 
1 1 1 -7  10 9  o 152.2543 3.326970  -6.877792      6.653941 
1 1 1 -7  10 10 o 171.5092 3.406294  -1.512177      6.812589 
1 1 1 -7  10 11 o 260.9320 3.667843  2.733887       7.335687 
1 1 1 -7  10 12 o 200.3925 3.136629  -3.131256      6.273259 
1 1 1 -7  10 13 o 66.31371 3.519978  -2.961334      7.039957 
1 1 1 -7  10 14 o 194.5908 5.221518  ?              ?        
1 1 1 -7  10 15 o 141.8692 2.850227  -10.11255      5.700455 
1 1 1 -7  10 16 o 207.4702 3.530336  17.04991       7.060671 
1 1 1 -7  10 17 o 90.33583 2.829529  -5.998985      5.659058 
1 1 1 -7  10 18 o 44.99651 3.123521  -4.916496      6.247043 
1 1 1 -7  10 19 o 183.8913 3.651759  5.857178       7.303518 
1 1 1 -7  10 20 o 140.2440 2.347945  -0.7806702     4.695890 
1 1 1 -7  10 21 o 124.2725 2.312717  2.458099       4.625434 
1 1 1 -7  10 22 o 103.8921 2.326204  4.215240       4.652409 
1 1 1 -7  10 23 o 37.85646 3.923821  -5.325996      7.847641 
1 1 1 -7  10 24 o 120.8720 2.397433  3.139534       4.794866 
1 1 1 -7  10 25 o 99.62474 3.159666  -6.035843      6.319331 
1 1 1 -7  10 26 o 16.35255 4.791743  0.4723167      9.583487 
1 1 1 -7  10 27 o 46.04960 4.711053  -16.08403      9.422107 
1 1 1 -7  10 28 o 53.73789 3.176340  -5.596886      6.352679 
1 1 1 -7  10 29 o 41.30812 3.960769  -22.92245      7.921539 
1 1 1 -7  10 30 o 18.03765 4.659088  0.7593079      9.318175 
1 1 1 -7  10 31 o 39.07173 3.678078  -15.61919      7.356157 
1 1 1 -7  10 32 f 18.29315 4.666332  -14.43981      9.332664 
1 1 1 -7  10 33 o 19.96311 5.165381  -1.821659      10.33076 
1 1 1 -7  10 34 f 31.14484 3.688512  -37.07822      7.377024 
1 1 1 -7  10 35 o 13.71067 4.362340  0.4851789      8.724680 
1 1 1 -7  11 1  o 143.5374 3.007611  6.956161       6.015221 
1 1 1 -7  11 2  o 40.77388 3.914660  -1.554764      7.829319 
1 1 1 -7  11 3  o 161.0154 3.116704  1.868973       6.233409 
1 1 1 -7  11 4  o 165.7652 3.194803  -2.052628      6.389606 
1 1 1 -7  11 5  o 386.1862 5.559948  2.674377       11.11990 
1 1 1 -7  11 6  o 75.54337 3.303469  -2.286163      6.606937 
1 1 1 -7  11 7  o 60.44519 3.378748  -0.8863449     6.757495 
1 1 1 -7  11 8  o 135.1944 2.830578  -3.734604      5.661155 
1 1 1 -7  11 9  o 85.12276 3.230918  -9.142181      6.461835 
1 1 1 -7  11 10 o 130.6744 3.379287  -3.148956      6.758574 
1 1 1 -7  11 11 o 142.7913 2.941591  -8.208832      5.883182 
1 1 1 -7  11 12 o 116.9041 3.330100  -7.650505      6.660199 
1 1 1 -7  11 13 o 193.2453 3.186287  2.249191       6.372575 
1 1 1 -7  11 14 f 42.29119 4.376563  -1.481728      8.753125 
1 1 1 -7  11 15 o 141.1483 4.494144  ?              ?        
1 1 1 -7  11 16 o 54.06857 3.503560  -3.756115      7.007119 
1 1 1 -7  11 17 o 67.70191 3.440919  3.329376       6.881839 
1 1 1 -7  11 18 o 91.77675 2.927850  11.55015       5.855701 
1 1 1 -7  11 19 o 170.5914 3.291094  -2.733154      6.582188 
1 1 1 -7  11 20 o 147.5319 3.060476  ?              ?        
1 1 1 -7  11 21 o 115.1746 2.386966  11.08098       4.773932 
1 1 1 -7  11 22 o 51.28920 3.408010  3.716118       6.816020 
1 1 1 -7  11 23 o 31.16653 4.615077  -13.78018      9.230154 
1 1 1 -7  11 24 o 64.68523 3.071401  -5.564426      6.142803 
1 1 1 -7  11 25 o 37.55467 4.430027  -0.3734894     8.860055 
1 1 1 -7  11 26 o 33.92381 5.431645  -20.40456      10.86329 
1 1 1 -7  11 27 o 14.59126 4.672884  5.473552       9.345767 
1 1 1 -7  11 28 o 101.4781 2.540190  -11.17075      5.080379 
1 1 1 -7  11 29 o 22.24735 4.777960  -4.072678      9.555921 
1 1 1 -7  11 30 o 34.92117 3.753848  -3.737961      7.507696 
1 1 1 -7  11 31 o 34.16344 4.154587  -22.55313      8.309174 
1 1 1 -7  11 32 o 23.41309 7.948692  ?              ?        
1 1 1 -7  11 33 o 22.26843 5.536003  -4.908735      11.07201 
1 1 1 -7  11 34 o 13.79415 4.256176  3.206849       8.512351 
1 1 1 -7  12 1  f 205.5624 3.581397  2.746719       7.162794 
1 1 1 -7  12 2  o 147.6370 3.188297  -7.848557      6.376595 
1 1 1 -7  12 3  o 122.9378 3.065584  -2.415108      6.131168 
1 1 1 -7  12 4  o 327.1528 4.908098  7.494385       9.816196 
1 1 1 -7  12 5  o 132.2378 3.230552  -9.651825      6.461104 
1 1 1 -7  12 6  o 128.8666 3.225270  -11.29324      6.450541 
1 1 1 -7  12 7  o 34.56874 6.091117  -4.584915      12.18223 
1 1 1 -7  12 8  o 116.6007 2.922626  -0.5294037     5.845252 
1 1 1 -7  12 9  o 150.7236 2.968904  2.068695       5.937809 
1 1 1 -7  12 10 o 280.2834 4.555243  -5.031799      9.110485 
1 1 1 -7  12 11 f 47.63017 4.895254  -4.849182      9.790507 
1 1 1 -7  12 12 o 195.3279 3.224115  -3.210297      6.448229 
1 1 1 -7  12 13 o 100.8484 4.465014  ?              ?        
1 1 1 -7  12 14 o 86.82726 3.383348  0.6505585E-01  6.766695 
1 1 1 -7  12 15 o 69.34417 3.188618  5.625366       6.377236 
1 1 1 -7  12 16 o 85.66973 5.098858  ?              ?        
1 1 1 -7  12 17 o 125.3340 3.386506  0.1437378E-01  6.773012 
1 1 1 -7  12 18 o 55.08275 3.465770  -0.5667534     6.931540 
1 1 1 -7  12 19 o 79.97172 3.188741  ?              ?        
1 1 1 -7  12 20 f 101.7389 3.073553  -3.502449      6.147106 
1 1 1 -7  12 21 o 90.11219 3.493398  -0.6566467     6.986795 
1 1 1 -7  12 22 o 41.60406 5.253667  -18.85821      10.50733 
1 1 1 -7  12 23 o 62.74744 3.495491  ?              ?        
1 1 1 -7  12 24 o 22.78053 5.812694  1.122158       11.62539 
1 1 1 -7  12 25 o 71.36209 3.708541  -2.992462      7.417082 
1 1 1 -7  12 26 o 60.25137 3.538410  -18.11135      7.076820 
1 1 1 -7  12 27 f 94.24219 2.603311  -0.9160995     5.206622 
1 1 1 -7  12 28 o 66.13684 2.815817  -18.18382      5.631633 
1 1 1 -7  12 29 o 41.49127 5.042188  ?              ?        
1 1 1 -7  12 30 o 40.09937 3.685391  -13.63469      7.370782 
1 1 1 -7  12 31 o 25.06671 3.899190  -18.17554      7.798381 
1 1 1 -7  12 32 o 26.64482 4.878504  -15.59428      9.757008 
1 1 1 -7  12 33 o 16.41838 4.831954  -12.08999      9.663907 
1 1 1 -7  12 34 o 24.18659 3.887765  -23.93994      7.775531 
1 1 1 -7  13 1  o 235.0814 3.937451  6.805069       7.874902 
1 1 1 -7  13 2  o 162.0220 3.326926  -3.863342      6.653852 
1 1 1 -7  13 3  o 103.7825 3.317992  -17.68077      6.635983 
1 1 1 -7  13 4  o 82.68159 3.559376  12.61207       7.118752 
1 1 1 -7  13 5  o 252.3480 4.160369  -6.773682      8.320739 
1 1 1 -7  13 6  o 130.9918 3.304268  -10.31528      6.608535 
1 1 1 -7  13 7  o 413.3591 8.548422  ?              ?        
1 1 1 -7  13 8  o 53.22026 5.956640  ?              ?        
1 1 1 -7  13 9  o 63.84883 3.735855  -3.818062      7.471710 
1 1 1 -7  13 10 o 132.7163 3.540171  -4.145660      7.080341 
1 1 1 -7  13 11 o 53.05409 6.478119  ?              ?        
1 1 1 -7  13 12 o 121.4675 3.060338  6.546982       6.120676 
1 1 1 -7  13 13 o 138.7859 3.037898  -4.039917      6.075796 
1 1 1 -7  13 14 o 35.28754 4.885252  -25.36929      9.770505 
1 1 1 -7  13 15 o 40.89112 4.571912  0.4523926      9.143824 
1 1 1 -7  13 16 o 72.40725 3.133825  -6.724518      6.267650 
1 1 1 -7  13 17 o 155.4039 3.551130  -0.3495636     7.102259 
1 1 1 -7  13 18 o 24.33053 4.926822  -11.85594      9.853644 
1 1 1 -7  13 19 o 19.96687 5.545155  1.228434       11.09031 
1 1 1 -7  13 20 o 89.42705 3.559977  -10.47553      7.119954 
1 1 1 -7  13 21 o 74.78934 3.457950  -3.059494      6.915901 
1 1 1 -7  13 22 o 129.2661 3.215494  ?              ?        
1 1 1 -7  13 23 o 81.48891 4.123394  1.026337       8.246787 
1 1 1 -7  13 24 o 79.25650 3.796247  5.799232       7.592494 
1 1 1 -7  13 25 o 88.29119 3.575590  1.987869       7.151181 
1 1 1 -7  13 26 o 17.74751 5.152988  -0.4031582     10.30598 
1 1 1 -7  13 27 o 23.09909 5.394623  -2.236443      10.78925 
1 1 1 -7  13 28 o 46.44973 4.789087  -16.60372      9.578174 
1 1 1 -7  13 29 o 18.84284 5.044809  -1.488882      10.08962 
1 1 1 -7  13 30 o 17.77463 7.319361  ?              ?        
1 1 1 -7  13 31 o 20.62437 6.341921  ?              ?        
1 1 1 -7  13 32 f 15.66331 4.778514  -0.7909250     9.557029 
1 1 1 -7  13 33 o 32.86176 6.551935  ?              ?        
1 1 1 -7  14 1  o 120.6731 3.246549  0.2102051      6.493098 
1 1 1 -7  14 2  o 182.9608 3.554421  5.535202       7.108842 
1 1 1 -7  14 3  o 216.9921 3.837078  -8.546631      7.674155 
1 1 1 -7  14 4  o 133.4948 4.772625  ?              ?        
1 1 1 -7  14 5  o 112.6235 4.756774  ?              ?        
1 1 1 -7  14 6  o 130.2788 3.361674  8.578262       6.723348 
1 1 1 -7  14 7  o 126.4080 3.375403  11.65117       6.750805 
1 1 1 -7  14 8  o 72.63197 5.020957  ?              ?        
1 1 1 -7  14 9  o 105.6409 4.775380  ?              ?        
1 1 1 -7  14 10 o 30.13060 5.948302  12.90347       11.89660 
1 1 1 -7  14 11 o 33.93740 5.025642  -4.558653      10.05128 
1 1 1 -7  14 12 o 36.12123 4.870828  -4.332253      9.741655 
1 1 1 -7  14 13 o 154.6574 3.117693  -6.084778      6.235385 
1 1 1 -7  14 14 o 66.20032 3.348037  0.3795242      6.696073 
1 1 1 -7  14 15 o 142.9318 3.051813  0.2326965E-01  6.103626 
1 1 1 -7  14 16 o 177.2574 3.250319  -3.427261      6.500639 
1 1 1 -7  14 17 o 77.99251 3.260798  3.789299       6.521596 
1 1 1 -7  14 18 o 142.5072 3.605294  -1.345703      7.210588 
1 1 1 -7  14 19 o 54.72448 4.497271  -11.98177      8.994542 
1 1 1 -7  14 20 f 97.94560 3.324730  -0.5205383     6.649459 
1 1 1 -7  14 21 o 110.6348 3.395837  -3.923370      6.791674 
1 1 1 -7  14 22 o 79.84706 4.301763  -9.182434      8.603525 
1 1 1 -7  14 23 o 38.42595 5.665775  -0.7341309     11.33155 
1 1 1 -7  14 24 o 97.41949 3.664203  0.6297302      7.328405 
1 1 1 -7  14 25 o 27.75282 5.944652  4.648811       11.88930 
1 1 1 -7  14 26 o 24.56388 5.746916  2.984400       11.49383 
1 1 1 -7  14 27 o 17.24461 5.289458  11.47727       10.57892 
1 1 1 -7  14 28 o 29.71126 4.626452  -17.40224      9.252905 
1 1 1 -7  14 29 o 18.96085 4.844226  -2.142796      9.688453 
1 1 1 -7  14 30 f 16.16631 4.297614  -5.349814      8.595228 
1 1 1 -7  14 31 o 16.92364 4.786310  4.553037       9.572620 
1 1 1 -7  14 32 o 21.47035 4.761375  -4.556267      9.522751 
1 1 1 -7  14 33 o 17.59517 4.688231  1.275562       9.376463 
1 1 1 -7  15 1  o 203.8361 5.297414  ?              ?        
1 1 1 -7  15 2  o 107.2380 3.286468  -6.421143      6.572936 
1 1 1 -7  15 3  o 88.48108 3.350015  -7.448784      6.700030 
1 1 1 -7  15 4  o 109.2992 3.332148  -20.29404      6.664296 
1 1 1 -7  15 5  o 150.8189 4.776947  ?              ?        
1 1 1 -7  15 6  o 153.7219 4.898159  ?              ?        
1 1 1 -7  15 7  o 86.28331 3.547842  0.8671494      7.095684 
1 1 1 -7  15 8  o 132.9352 3.353504  -0.5414429     6.707008 
1 1 1 -7  15 9  o 23.18044 5.907079  -0.3736210     11.81416 
1 1 1 -7  15 10 o 40.19751 5.837060  20.50019       11.67412 
1 1 1 -7  15 11 o 96.35629 3.098172  1.486000       6.196345 
1 1 1 -7  15 12 o 141.9147 3.128688  -0.9163055     6.257375 
1 1 1 -7  15 13 o 60.26008 3.726508  -1.759678      7.453015 
1 1 1 -7  15 14 o 60.75446 3.641596  -2.983219      7.283191 
1 1 1 -7  15 15 o 54.96978 3.846485  5.311691       7.692970 
1 1 1 -7  15 16 o 118.4891 3.655879  -1.933182      7.311758 
1 1 1 -7  15 17 o 124.2809 3.230599  3.901604       6.461197 
1 1 1 -7  15 18 f 30.00018 6.002264  3.443283       12.00453 
1 1 1 -7  15 19 o 72.45486 3.856194  ?              ?        
1 1 1 -7  15 20 o 134.4016 3.843334  -3.747360      7.686668 
1 1 1 -7  15 21 o 68.07979 4.173805  -7.706726      8.347610 
1 1 1 -7  15 22 o 33.33590 5.779874  -5.915003      11.55975 
1 1 1 -7  15 23 o 72.78717 3.868418  17.10082       7.736836 
1 1 1 -7  15 24 o 61.12431 4.349446  3.730236       8.698893 
1 1 1 -7  15 25 o 16.75448 5.231771  2.662383       10.46354 
1 1 1 -7  15 26 o 55.31014 4.517219  3.600422       9.034438 
1 1 1 -7  15 27 o 21.76010 5.297280  16.37677       10.59456 
1 1 1 -7  15 28 o 13.03891 5.573832  ?              ?        
1 1 1 -7  15 29 f 14.29981 4.280284  0.5445766      8.560568 
1 1 1 -7  15 30 o 20.81667 5.100265  2.897081       10.20053 
1 1 1 -7  15 31 o 20.83436 4.542778  -6.593189      9.085555 
1 1 1 -7  15 32 o 23.51660 4.435716  -13.66886      8.871431 
1 1 1 -7  16 1  o 77.83894 5.469618  ?              ?        
1 1 1 -7  16 2  o 22.90473 5.730600  1.791178       11.46120 
1 1 1 -7  16 3  o 75.58089 3.518876  6.720802       7.037752 
1 1 1 -7  16 4  o 131.4907 3.343488  -1.959641      6.686975 
1 1 1 -7  16 5  o 117.5098 3.348718  -8.027634      6.697437 
1 1 1 -7  16 6  o 38.11702 5.115323  -5.366898      10.23065 
1 1 1 -7  16 7  o 115.9016 3.382905  -2.453072      6.765811 
1 1 1 -7  16 8  o 98.76279 3.432597  4.469597       6.865193 
1 1 1 -7  16 9  o 126.7113 3.482597  2.271767       6.965193 
1 1 1 -7  16 10 o 89.41145 4.921242  ?              ?        
1 1 1 -7  16 11 o 97.78021 3.152998  9.857414       6.305997 
1 1 1 -7  16 12 o 106.0081 3.163349  -2.688148      6.326698 
1 1 1 -7  16 13 o 101.7792 3.202398  -3.799126      6.404796 
1 1 1 -7  16 14 f 123.0422 3.813893  7.447784       7.627787 
1 1 1 -7  16 15 o 134.3831 3.272128  -3.925064      6.544255 
1 1 1 -7  16 16 o 138.6871 3.288909  -1.370209      6.577817 
1 1 1 -7  16 17 x ?        ?         ?              ?        
1 1 1 -7  16 18 o 39.76556 6.223849  5.536327       12.44770 
1 1 1 -7  16 19 o 135.4279 3.465585  10.52423       6.931169 
1 1 1 -7  16 20 o 58.81132 4.387081  0.3999710E-01  8.774162 
1 1 1 -7  16 21 o 115.3539 3.468380  5.072914       6.936759 
1 1 1 -7  16 22 o 61.36147 4.244777  3.240822       8.489553 
1 1 1 -7  16 23 o 74.32418 3.924610  4.867706       7.849219 
1 1 1 -7  16 24 o 35.55305 5.650915  -16.18878      11.30183 
1 1 1 -7  16 25 o 18.03345 5.404296  0.4667892      10.80859 
1 1 1 -7  16 26 o 24.63118 5.437361  0.6505585E-01  10.87472 
1 1 1 -7  16 27 o 23.44458 6.133148  ?              ?        
1 1 1 -7  16 28 o 32.28146 3.967183  -4.695742      7.934366 
1 1 1 -7  16 29 f 17.58775 4.886218  -1.709919      9.772435 
1 1 1 -7  16 30 o 13.80636 4.176874  3.475038       8.353748 
1 1 1 -7  16 31 o 22.43681 4.688219  0.6818333      9.376438 
1 1 1 -7  17 1  x ?        ?         ?              ?        
1 1 1 -7  17 2  o 135.9106 3.395729  -7.637543      6.791457 
1 1 1 -7  17 3  o 102.2734 3.339152  2.266991       6.678304 
1 1 1 -7  17 4  o 54.84318 3.893195  -2.069405      7.786389 
1 1 1 -7  17 5  o 84.11394 3.428841  -0.9653244     6.857681 
1 1 1 -7  17 6  o 84.86437 3.441417  -8.357483      6.882834 
1 1 1 -7  17 7  o 71.84612 3.615653  -2.324799      7.231306 
1 1 1 -7  17 8  o 102.3647 3.497985  2.468834       6.995971 
1 1 1 -7  17 9  o 105.3945 3.491174  4.156387       6.982348 
1 1 1 -7  17 10 o 87.68929 5.288206  ?              ?        
1 1 1 -7  17 11 o 106.3451 3.321578  -1.790985      6.643157 
1 1 1 -7  17 12 o 79.47079 4.243197  22.03171       8.486394 
1 1 1 -7  17 13 o 25.14352 5.237677  -15.66422      10.47535 
1 1 1 -7  17 14 o 99.43445 3.323650  -2.894394      6.647300 
1 1 1 -7  17 15 o 103.7925 3.877052  ?              ?        
1 1 1 -7  17 16 o 94.21640 4.052383  -8.374695      8.104766 
1 1 1 -7  17 17 o 69.74006 3.957727  6.354385       7.915454 
1 1 1 -7  17 18 o 31.77156 6.146284  -9.504976      12.29257 
1 1 1 -7  17 19 o 68.83880 4.154565  -1.033813      8.309131 
1 1 1 -7  17 20 o 20.00346 5.853897  -2.689054      11.70779 
1 1 1 -7  17 21 o 51.23139 5.235462  -6.000328      10.47092 
1 1 1 -7  17 22 o 46.87144 5.101427  2.192657       10.20285 
1 1 1 -7  17 23 o 34.61345 6.277094  -6.902336      12.55419 
1 1 1 -7  17 24 o 71.38203 3.733382  3.623253       7.466763 
1 1 1 -7  17 25 o 50.19812 3.901035  ?              ?        
1 1 1 -7  17 26 o 18.74519 4.536225  -9.335939      9.072450 
1 1 1 -7  17 27 o 12.73692 4.209567  -4.788245      8.419134 
1 1 1 -7  17 28 o 14.18377 4.215681  0.3774080      8.431361 
1 1 1 -7  17 29 o 10.22210 3.440485  1.047818       6.880969 
1 1 1 -7  17 30 o 17.16930 4.413249  -4.442623      8.826499 
1 1 1 -7  18 1  o 207.5932 5.782579  ?              ?        
1 1 1 -7  18 2  f 118.1548 3.391099  -8.272087      6.782198 
1 1 1 -7  18 3  o 83.64154 3.515493  -0.5280533     7.030986 
1 1 1 -7  18 4  o 103.4226 3.407821  11.71110       6.815642 
1 1 1 -7  18 5  o 84.11340 3.513039  -12.05791      7.026077 
1 1 1 -7  18 6  o 127.8511 3.516209  10.35595       7.032418 
1 1 1 -7  18 7  o 85.30414 3.553486  1.206902       7.106972 
1 1 1 -7  18 8  f 111.9015 4.988990  ?              ?        
1 1 1 -7  18 9  o 165.9711 5.480253  ?              ?        
1 1 1 -7  18 10 o 37.67051 9.070924  ?              ?        
1 1 1 -7  18 11 o 64.36604 4.168713  1.567898       8.337425 
1 1 1 -7  18 12 o 95.73907 4.041545  ?              ?        
1 1 1 -7  18 13 o 51.50795 4.819683  -2.485924      9.639365 
1 1 1 -7  18 14 o 86.48045 3.782499  -1.065536      7.564997 
1 1 1 -7  18 15 o 151.2251 3.504203  1.571701       7.008406 
1 1 1 -7  18 16 o 53.85518 5.676947  15.65264       11.35389 
1 1 1 -7  18 17 o 102.2724 3.705431  6.547318       7.410862 
1 1 1 -7  18 18 o 81.26596 3.912125  0.5230637      7.824250 
1 1 1 -7  18 19 o 55.83948 4.643883  3.413120       9.287766 
1 1 1 -7  18 20 f 60.61524 4.472212  7.629917       8.944425 
1 1 1 -7  18 21 o 28.06924 6.453033  -14.89785      12.90607 
1 1 1 -7  18 22 o 40.00198 5.325851  -9.398655      10.65170 
1 1 1 -7  18 23 o 69.44093 3.740030  5.275505       7.480061 
1 1 1 -7  18 24 o 69.35077 3.554114  ?              ?        
1 1 1 -7  18 25 o 29.27254 5.087251  -2.211567      10.17450 
1 1 1 -7  18 26 o 14.77312 4.631171  -2.437193      9.262342 
1 1 1 -7  18 27 o 20.84807 4.731061  -4.614326      9.462122 
1 1 1 -7  18 28 o 14.17257 4.175252  -1.394909      8.350504 
1 1 1 -7  18 29 o 12.45170 3.966586  0.7750826      7.933172 
1 1 1 -7  19 1  o 82.57541 5.513079  ?              ?        
1 1 1 -7  19 2  o 31.70742 8.546586  ?              ?        
1 1 1 -7  19 3  o 102.3617 3.561140  2.254341       7.122281 
1 1 1 -7  19 4  o 101.9051 5.022370  ?              ?        
1 1 1 -7  19 5  o 51.60085 5.754840  ?              ?        
1 1 1 -7  19 6  o 51.21525 4.529169  7.449135       9.058337 
1 1 1 -7  19 7  o 111.8581 3.690730  -6.616760      7.381460 
1 1 1 -7  19 8  o 96.81689 3.599926  3.171700       7.199852 
1 1 1 -7  19 9  x ?        ?         ?              ?        
1 1 1 -7  19 10 o 71.30040 6.230956  ?              ?        
1 1 1 -7  19 11 o 35.54498 9.798954  ?              ?        
1 1 1 -7  19 12 o 52.48831 7.575727  ?              ?        
1 1 1 -7  19 13 o 50.46768 5.504673  -0.3789673     11.00935 
1 1 1 -7  19 14 o 29.03334 6.448608  16.02131       12.89722 
1 1 1 -7  19 15 o 50.15195 5.134853  -1.163307      10.26971 
1 1 1 -7  19 16 o 162.0739 4.141725  -3.622696      8.283449 
1 1 1 -7  19 17 o 51.34406 5.581593  -6.004929      11.16319 
1 1 1 -7  19 18 o 89.03252 3.842583  -5.008255      7.685165 
1 1 1 -7  19 19 o 35.83619 6.948847  -11.68978      13.89769 
1 1 1 -7  19 20 o 22.62801 6.183251  -0.1618080     12.36650 
1 1 1 -7  19 21 o 40.95483 5.132082  12.41831       10.26416 
1 1 1 -7  19 22 o 32.03344 6.585927  ?              ?        
1 1 1 -7  19 23 o 27.15534 5.252948  -6.220318      10.50590 
1 1 1 -7  19 24 o 24.73748 5.485182  14.05489       10.97036 
1 1 1 -7  19 25 o 40.93850 3.852024  1.586529       7.704048 
1 1 1 -7  19 26 o 19.85764 4.718562  14.01865       9.437123 
1 1 1 -7  19 27 o 38.11742 3.459907  2.786572       6.919814 
1 1 1 -7  19 28 o 44.13115 3.396628  -9.416538      6.793255 
1 1 1 -7  20 1  o 192.9844 5.744618  ?              ?        
1 1 1 -7  20 2  o 48.74488 6.942266  ?              ?        
1 1 1 -7  20 3  o 139.1984 5.323207  ?              ?        
1 1 1 -7  20 4  o 39.70398 6.103061  -18.24424      12.20612 
1 1 1 -7  20 5  o 74.64167 5.895833  ?              ?        
1 1 1 -7  20 6  o 105.8339 5.424179  ?              ?        
1 1 1 -7  20 7  o 50.79669 6.835976  ?              ?        
1 1 1 -7  20 8  o 75.48326 5.973920  ?              ?        
1 1 1 -7  20 9  o 46.03208 7.468716  ?              ?        
1 1 1 -7  20 10 o 103.2269 5.639759  ?              ?        
1 1 1 -7  20 11 o 64.89999 6.568765  ?              ?        
1 1 1 -7  20 12 o 29.34884 10.02875  ?              ?        
1 1 1 -7  20 13 o 77.66583 4.165935  -6.568192      8.331870 
1 1 1 -7  20 14 o 40.24451 6.133915  -3.262566      12.26783 
1 1 1 -7  20 15 o 95.90674 3.971455  13.33225       7.942909 
1 1 1 -7  20 16 o 62.17197 4.674821  -8.744446      9.349643 
1 1 1 -7  20 17 o 46.96730 6.484722  -17.76400      12.96944 
1 1 1 -7  20 18 o 31.21281 6.561301  7.936487       13.12260 
1 1 1 -7  20 19 o 53.74628 4.555182  4.541496       9.110365 
1 1 1 -7  20 20 o 23.36002 7.892956  ?              ?        
1 1 1 -7  20 21 o 39.86033 4.957513  -10.16187      9.915027 
1 1 1 -7  20 22 o 37.87620 5.458510  2.477917       10.91702 
1 1 1 -7  20 23 o 30.40866 5.145533  -3.986090      10.29107 
1 1 1 -7  20 24 o 15.34810 4.482436  -1.802463      8.964871 
1 1 1 -7  20 25 o 37.29880 3.948082  -12.76942      7.896163 
1 1 1 -7  20 26 o 37.57213 3.616398  -0.7789574     7.232796 
1 1 1 -7  20 27 o 18.41166 5.065652  0.9119091      10.13130 
1 1 1 -7  21 1  o 66.55759 6.476157  ?              ?        
1 1 1 -7  21 2  o 82.16284 5.992000  ?              ?        
1 1 1 -7  21 3  o 111.5503 5.655795  ?              ?        
1 1 1 -7  21 4  o 29.98750 9.376868  ?              ?        
1 1 1 -7  21 5  f 33.86747 6.518244  11.59748       13.03649 
1 1 1 -7  21 6  o 108.0694 4.004489  -1.414528      8.008978 
1 1 1 -7  21 7  o 36.84314 8.973384  ?              ?        
1 1 1 -7  21 8  o 119.5917 5.432224  ?              ?        
1 1 1 -7  21 9  o 149.7441 5.716729  ?              ?        
1 1 1 -7  21 10 o 66.11884 6.633456  ?              ?        
1 1 1 -7  21 11 o 65.28656 6.836447  ?              ?        
1 1 1 -7  21 12 o 91.50715 6.316187  ?              ?        
1 1 1 -7  21 13 o 131.8799 3.681531  1.681747       7.363063 
1 1 1 -7  21 14 o 79.56042 5.065397  18.40267       10.13079 
1 1 1 -7  21 15 o 94.80425 4.549067  -2.453674      9.098134 
1 1 1 -7  21 16 o 74.66530 4.304392  1.882843       8.608784 
1 1 1 -7  21 17 o 19.02939 7.599913  ?              ?        
1 1 1 -7  21 18 o 94.88331 3.663121  -5.283081      7.326242 
1 1 1 -7  21 19 o 30.03506 6.473324  4.267115       12.94665 
1 1 1 -7  21 20 o 54.67527 3.861428  3.898804       7.722857 
1 1 1 -7  21 21 o 35.84920 4.989954  0.4522018      9.979909 
1 1 1 -7  21 22 o 14.28743 4.552338  6.314688       9.104675 
1 1 1 -7  21 23 o 19.20961 4.630482  -3.057182      9.260964 
1 1 1 -7  21 24 o 19.10857 4.648026  2.926222       9.296051 
1 1 1 -7  21 25 o 18.11823 4.956125  5.031368       9.912250 
1 1 1 -7  21 26 o 11.44654 3.879360  -4.424428      7.758721 
1 1 1 -7  22 1  o 20.62867 8.779221  ?              ?        
1 1 1 -7  22 2  x ?        ?         ?              ?        
1 1 1 -7  22 3  o 27.50457 9.713480  ?              ?        
1 1 1 -7  22 4  o 127.8647 5.760205  ?              ?        
1 1 1 -7  22 5  o 77.23427 6.913361  ?              ?        
1 1 1 -7  22 6  f 67.90206 4.783775  -1.126923      9.567551 
1 1 1 -7  22 7  f 19.17067 8.289010  ?              ?        
1 1 1 -7  22 8  o 53.99010 7.607875  ?              ?        
1 1 1 -7  22 9  o 89.34167 5.631189  ?              ?        
1 1 1 -7  22 10 o 67.77163 6.591992  ?              ?        
1 1 1 -7  22 11 o 70.28883 6.691632  ?              ?        
1 1 1 -7  22 12 o 36.36312 10.42865  ?              ?        
1 1 1 -7  22 13 o 73.92448 4.434195  0.4962845      8.868389 
1 1 1 -7  22 14 o 54.79967 5.224697  -11.81581      10.44939 
1 1 1 -7  22 15 o 42.80759 5.709488  ?              ?        
1 1 1 -7  22 16 o 29.89298 6.427480  1.457680       12.85496 
1 1 1 -7  22 17 o 84.49111 3.623462  -1.114960      7.246924 
1 1 1 -7  22 18 o 35.51464 5.314202  -8.564503      10.62840 
1 1 1 -7  22 19 f 35.05801 4.925704  -26.07481      9.851409 
1 1 1 -7  22 20 o 17.73514 4.965997  -2.926065      9.931993 
1 1 1 -7  22 21 o 44.93324 3.723731  -4.293179      7.447463 
1 1 1 -7  22 22 o 12.70872 3.951302  -7.159736      7.902604 
1 1 1 -7  22 23 o 22.54220 5.468305  -2.765301      10.93661 
1 1 1 -7  22 24 o 15.47975 4.708658  1.617049       9.417316 
1 1 1 -7  22 25 o 16.49687 7.094222  ?              ?        
1 1 1 -7  23 1  o 41.88638 9.627690  ?              ?        
1 1 1 -7  23 2  x ?        ?         ?              ?        
1 1 1 -7  23 3  o 81.64358 6.488620  ?              ?        
1 1 1 -7  23 4  o 31.28894 10.41328  ?              ?        
1 1 1 -7  23 5  o 84.98140 6.183562  ?              ?        
1 1 1 -7  23 6  o 52.54062 7.882522  ?              ?        
1 1 1 -7  23 7  o 94.71909 5.832164  ?              ?        
1 1 1 -7  23 8  o 52.15063 6.807788  ?              ?        
1 1 1 -7  23 9  o 73.44263 6.029904  ?              ?        
1 1 1 -7  23 10 o 36.76180 9.366279  ?              ?        
1 1 1 -7  23 11 x ?        ?         ?              ?        
1 1 1 -7  23 12 x ?        ?         ?              ?        
1 1 1 -7  23 13 o 111.8963 5.843492  ?              ?        
1 1 1 -7  23 14 o 22.65899 4.852779  -19.10476      9.705558 
1 1 1 -7  23 15 o 53.33796 4.154600  1.510033       8.309199 
1 1 1 -7  23 16 f 41.51788 4.454799  9.101360       8.909597 
1 1 1 -7  23 17 o 45.07933 4.290658  -3.569057      8.581316 
1 1 1 -7  23 18 o 53.73309 3.772820  -5.644817      7.545640 
1 1 1 -7  23 19 o 35.16763 4.817759  -6.297771      9.635518 
1 1 1 -7  23 20 o 15.50541 4.420871  9.272820       8.841742 
1 1 1 -7  23 21 o 15.95293 4.991217  -4.495557      9.982434 
1 1 1 -7  23 22 o 23.31571 5.434088  -15.60292      10.86818 
1 1 1 -7  23 23 o 19.52778 8.081537  ?              ?        
1 1 1 -7  23 24 o 14.49182 6.527041  ?              ?        
1 1 1 -7  24 1  o 59.73149 7.006481  ?              ?        
1 1 1 -7  24 2  x ?        ?         ?              ?        
1 1 1 -7  24 3  x ?        ?         ?              ?        
1 1 1 -7  24 4  o 44.53846 9.355309  ?              ?        
1 1 1 -7  24 5  o 80.87019 6.749576  ?              ?        
1 1 1 -7  24 6  o 68.06778 6.937798  ?              ?        
1 1 1 -7  24 7  x ?        ?         ?              ?        
1 1 1 -7  24 8  x ?        ?         ?              ?        
1 1 1 -7  24 9  o 44.18814 8.668115  ?              ?        
1 1 1 -7  24 10 f 39.83452 8.835579  ?              ?        
1 1 1 -7  24 11 o 12.48839 6.114040  ?              ?        
1 1 1 -7  24 12 o 90.12109 5.874238  ?              ?        
1 1 1 -7  24 13 o 31.87263 8.832441  ?              ?        
1 1 1 -7  24 14 o 64.68410 4.149023  1.600044       8.298046 
1 1 1 -7  24 15 o 13.22253 4.391774  5.542912       8.783548 
1 1 1 -7  24 16 o 46.13230 3.983165  -3.854450      7.966330 
1 1 1 -7  24 17 o 26.77090 4.878354  -6.635504      9.756707 
1 1 1 -7  24 18 o 17.40129 5.236250  -5.355479      10.47250 
1 1 1 -7  24 19 o 24.95930 5.557919  -9.019060      11.11584 
1 1 1 -7  24 20 f 30.60962 5.592878  -7.750463      11.18576 
1 1 1 -7  24 21 o 14.03868 6.693624  ?              ?        
1 1 1 -7  24 22 o 30.66436 9.187457  ?              ?        
1 1 1 -7  25 1  o 39.42635 5.761647  ?              ?        
1 1 1 -7  25 2  o 50.25035 4.759919  ?              ?        
1 1 1 -7  25 3  o 40.32515 8.719463  ?              ?        
1 1 1 -7  25 4  o 27.86813 9.660124  ?              ?        
1 1 1 -7  25 5  o 52.14058 7.426819  ?              ?        
1 1 1 -7  25 6  o 79.87130 6.265748  ?              ?        
1 1 1 -7  25 7  x ?        ?         ?              ?        
1 1 1 -7  25 8  x ?        ?         ?              ?        
1 1 1 -7  25 9  o 66.80725 6.439055  ?              ?        
1 1 1 -7  25 10 o 39.89093 9.025933  ?              ?        
1 1 1 -7  25 11 o 41.97229 8.663227  ?              ?        
1 1 1 -7  25 12 f 46.97748 6.945763  ?              ?        
1 1 1 -7  25 13 o 45.48532 6.568016  ?              ?        
1 1 1 -7  25 14 o 30.30226 5.713482  0.6134453      11.42696 
1 1 1 -7  25 15 o 30.45351 7.126342  ?              ?        
1 1 1 -7  25 16 o 25.13119 5.858383  -8.864302      11.71677 
1 1 1 -7  25 17 o 15.09822 4.756915  -0.2099648     9.513830 
1 1 1 -7  25 18 f 22.89180 8.520927  ?              ?        
1 1 1 -7  25 19 o 10.59796 5.291390  ?              ?        
1 1 1 -7  25 20 x ?        ?         ?              ?        
1 1 1 -7  26 1  o 24.55615 7.067845  ?              ?        
1 1 1 -7  26 2  o 48.08292 4.892719  ?              ?        
1 1 1 -7  26 3  o 63.05267 4.351818  ?              ?        
1 1 1 -7  26 4  o 20.58601 8.008867  ?              ?        
1 1 1 -7  26 5  o 16.51200 7.117349  ?              ?        
1 1 1 -7  26 6  o 18.94009 7.680490  ?              ?        
1 1 1 -7  26 7  x ?        ?         ?              ?        
1 1 1 -7  26 8  x ?        ?         ?              ?        
1 1 1 -7  26 9  x ?        ?         ?              ?        
1 1 1 -7  26 10 o 20.62191 7.930632  ?              ?        
1 1 1 -7  26 11 o 22.66084 8.199669  ?              ?        
1 1 1 -7  26 12 o 24.47832 8.234588  ?              ?        
1 1 1 -7  26 13 o 27.85252 7.357844  ?              ?        
1 1 1 -7  26 14 o 16.49408 6.885749  ?              ?        
1 1 1 -7  26 15 o 15.90955 7.234964  ?              ?        
1 1 1 -7  26 16 x ?        ?         ?              ?        
1 1 1 -7  26 17 x ?        ?         ?              ?        
1 1 1 -7  26 18 x ?        ?         ?              ?        
1 1 1 -7  27 1  o 15.22135 6.010396  ?              ?        
1 1 1 -7  27 2  o 48.36423 4.155190  ?              ?        
1 1 1 -7  27 3  o 18.39374 6.302185  ?              ?        
1 1 1 -7  27 4  o 12.79004 5.925429  ?              ?        
1 1 1 -7  27 5  o 15.20148 6.432170  ?              ?        
1 1 1 -7  27 6  o 20.83787 6.964023  ?              ?        
1 1 1 -7  27 7  x ?        ?         ?              ?        
1 1 1 -7  27 8  x ?        ?         ?              ?        
1 1 1 -7  27 9  x ?        ?         ?              ?        
1 1 1 -7  27 10 x ?        ?         ?              ?        
1 1 1 -7  27 11 x ?        ?         ?              ?        
1 1 1 -7  27 12 x ?        ?         ?              ?        
1 1 1 -7  27 13 x ?        ?         ?              ?        
1 1 1 -7  27 14 x ?        ?         ?              ?        
1 1 1 -7  27 15 x ?        ?         ?              ?        
1 1 1 -7  27 16 x ?        ?         ?              ?        
1 1 1 -7  28 1  x ?        ?         ?              ?        
1 1 1 -7  28 2  x ?        ?         ?              ?        
1 1 1 -7  28 3  x ?        ?         ?              ?        
1 1 1 -7  28 4  x ?        ?         ?              ?        
1 1 1 -7  28 5  x ?        ?         ?              ?        
1 1 1 -7  28 6  x ?        ?         ?              ?        
1 1 1 -7  28 7  x ?        ?         ?              ?        
1 1 1 -7  28 8  x ?        ?         ?              ?        
1 1 1 -7  28 9  x ?        ?         ?              ?        
1 1 1 -7  28 10 x ?        ?         ?              ?        
1 1 1 -7  28 11 x ?        ?         ?              ?        
1 1 1 -7  28 12 x ?        ?         ?              ?        
1 1 1 -7  28 13 x ?        ?         ?              ?        
1 1 1 -7  29 1  x ?        ?         ?              ?        
1 1 1 -7  29 2  x ?        ?         ?              ?        
1 1 1 -7  29 3  x ?        ?         ?              ?        
1 1 1 -7  29 4  x ?        ?         ?              ?        
1 1 1 -7  29 5  x ?        ?         ?              ?        
1 1 1 -7  29 6  x ?        ?         ?              ?        
1 1 1 -7  29 7  x ?        ?         ?              ?        
1 1 1 -7  29 8  x ?        ?         ?              ?        
1 1 1 -6  0  1  o 152.0376 2.128674  -0.000000      0.000000 
1 1 1 -6  0  2  o 30.79818 1.183823  -0.000000      0.000000 
1 1 1 -6  0  3  o 94.66714 2.138329  -0.000000      0.000000 
1 1 1 -6  0  4  o 538.9434 7.148245  -0.000000      0.000000 
1 1 1 -6  0  5  o 251.8854 4.826061  -0.000000      0.000000 
1 1 1 -6  0  6  o 197.5835 2.746504  -0.000000      0.000000 
1 1 1 -6  0  7  o 178.2366 3.598676  -0.000000      0.000000 
1 1 1 -6  0  8  o 11.10213 4.978306  0.000000       0.000000 
1 1 1 -6  0  9  o 117.8751 1.839605  -0.000000      0.000000 
1 1 1 -6  0  10 o 27.89831 1.772926  0.000000       0.000000 
1 1 1 -6  0  11 o 89.91028 1.641957  0.000000       0.000000 
1 1 1 -6  0  12 x ?        ?         ?              ?        
1 1 1 -6  0  13 o 167.0211 2.487465  -0.000000      0.000000 
1 1 1 -6  0  14 o 151.7425 2.356039  0.000000       0.000000 
1 1 1 -6  0  15 o 39.69982 2.545093  0.000000       0.000000 
1 1 1 -6  0  16 o 187.0601 2.785172  -0.000000      0.000000 
1 1 1 -6  0  17 o 183.1459 3.779597  0.000000       0.000000 
1 1 1 -6  0  18 o 79.80724 2.028101  0.000000       0.000000 
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1 1 1 -6  0  25 o 70.77624 2.389636  -0.000000      0.000000 
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1 1 1 -6  0  27 o 18.47728 6.865967  0.000000       0.000000 
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1 1 1 -6  0  35 o 6.137156 4.425202  -0.000000      0.000000 
1 1 1 -6  0  36 o 6.327151 4.565974  -0.000000      0.000000 
1 1 1 -6  0  37 o 13.58827 7.750460  -0.000000      0.000000 
1 1 1 -6  1  1  o 234.1131 2.275568  -5.490479      4.551136 
1 1 1 -6  1  2  o 263.0164 2.546871  -17.11993      5.093742 
1 1 1 -6  1  3  o 195.1809 2.403810  -7.255020      4.807621 
1 1 1 -6  1  4  o 137.2316 1.467704  8.354462       2.935407 
1 1 1 -6  1  5  o 237.8118 3.277541  -2.410324      6.555081 
1 1 1 -6  1  6  o 290.4430 2.796817  -5.909698      5.593635 
1 1 1 -6  1  7  o 97.30578 1.706733  -2.720306      3.413467 
1 1 1 -6  1  8  o 258.6855 3.030043  6.873627       6.060087 
1 1 1 -6  1  9  o 159.5539 1.666398  -8.050140      3.332795 
1 1 1 -6  1  10 o 142.2855 1.537167  -3.616791      3.074333 
1 1 1 -6  1  11 o 133.2170 1.486502  4.584305       2.973005 
1 1 1 -6  1  12 o 137.4501 2.205775  -5.309814      4.411550 
1 1 1 -6  1  13 o 100.5091 1.296551  -0.7085724     2.593103 
1 1 1 -6  1  14 o 153.1782 1.678723  -1.735672      3.357446 
1 1 1 -6  1  15 o 254.7710 3.067820  -0.3160706     6.135640 
1 1 1 -6  1  16 o 88.52002 1.371533  1.487602       2.743067 
1 1 1 -6  1  17 o 210.8018 3.136104  -9.379959      6.272207 
1 1 1 -6  1  18 o 35.15079 2.097408  0.2436638      4.194817 
1 1 1 -6  1  19 o 71.90887 2.341814  ?              ?        
1 1 1 -6  1  20 o 118.3336 1.594891  -2.928947      3.189782 
1 1 1 -6  1  21 o 122.9503 2.141667  -11.05625      4.283335 
1 1 1 -6  1  22 f 103.1079 1.584216  0.1646423      3.168432 
1 1 1 -6  1  23 o 186.0903 2.106146  4.461105       4.212292 
1 1 1 -6  1  24 o 89.60318 1.609387  0.5621338      3.218774 
1 1 1 -6  1  25 o 134.6271 1.834841  6.720978       3.669682 
1 1 1 -6  1  26 o 109.5936 1.773126  -2.385620      3.546253 
1 1 1 -6  1  27 o 26.13282 3.393811  2.509762       6.787623 
1 1 1 -6  1  28 o 15.93237 4.143383  -3.821332      8.286765 
1 1 1 -6  1  29 o 42.17197 2.746092  -10.73757      5.492184 
1 1 1 -6  1  30 o 45.61275 4.303488  -10.25856      8.606976 
1 1 1 -6  1  31 o 17.86285 4.492982  -0.9475193     8.985965 
1 1 1 -6  1  32 o 75.52464 2.172438  2.184616       4.344877 
1 1 1 -6  1  33 o 60.88747 2.363254  -2.668575      4.726508 
1 1 1 -6  1  34 o 28.00518 3.577946  2.170584       7.155892 
1 1 1 -6  1  35 o 14.84600 4.220705  0.6275892      8.441410 
1 1 1 -6  1  36 o 22.29151 4.215584  -11.24091      8.431168 
1 1 1 -6  1  37 o 14.66301 4.393205  -4.773959      8.786410 
1 1 1 -6  2  1  o 117.1189 1.389791  0.2886276      2.779581 
1 1 1 -6  2  2  o 262.0699 3.640777  -2.353058      7.281554 
1 1 1 -6  2  3  o 355.7445 3.420165  -10.80298      6.840329 
1 1 1 -6  2  4  o 252.4613 3.038327  4.896408       6.076653 
1 1 1 -6  2  5  o 479.7715 5.464242  -22.35248      10.92848 
1 1 1 -6  2  6  o 67.36347 1.185408  -5.243668      2.370817 
1 1 1 -6  2  7  o 135.7983 2.184458  -3.739151      4.368916 
1 1 1 -6  2  8  f 62.06820 1.381600  -7.879330      2.763200 
1 1 1 -6  2  9  o 177.1224 1.874317  -2.206238      3.748634 
1 1 1 -6  2  10 o 216.8559 2.202088  -6.655136      4.404177 
1 1 1 -6  2  11 o 158.5787 1.736206  8.323700       3.472412 
1 1 1 -6  2  12 o 238.3960 3.398687  8.516220       6.797374 
1 1 1 -6  2  13 o 401.6245 3.848284  -6.041260      7.696568 
1 1 1 -6  2  14 o 205.5579 2.660582  11.28769       5.321165 
1 1 1 -6  2  15 o 104.0405 1.465569  -6.327873      2.931139 
1 1 1 -6  2  16 o 92.68405 1.452064  -6.310089      2.904127 
1 1 1 -6  2  17 o 275.0891 3.975853  25.64581       7.951707 
1 1 1 -6  2  18 o 70.30366 1.567563  4.447113       3.135125 
1 1 1 -6  2  19 o 79.99019 1.545417  0.1828995      3.090833 
1 1 1 -6  2  20 o 68.52956 1.560558  -6.040131      3.121115 
1 1 1 -6  2  21 o 74.73994 2.445107  1.740097       4.890214 
1 1 1 -6  2  22 o 200.8682 2.208901  -2.992203      4.417803 
1 1 1 -6  2  23 o 112.3063 1.999509  3.252823       3.999018 
1 1 1 -6  2  24 o 42.99218 1.935015  2.897419       3.870030 
1 1 1 -6  2  25 o 25.15152 3.056869  2.548288       6.113738 
1 1 1 -6  2  26 o 20.97489 3.681598  -1.037640      7.363197 
1 1 1 -6  2  27 o 56.70556 2.073058  6.973568       4.146116 
1 1 1 -6  2  28 o 112.0259 1.966616  8.652267       3.933231 
1 1 1 -6  2  29 o 97.73078 2.056646  6.618408       4.113291 
1 1 1 -6  2  30 o 57.98938 3.466307  -11.63433      6.932614 
1 1 1 -6  2  31 o 51.72703 3.166425  -3.159374      6.332850 
1 1 1 -6  2  32 o 73.58018 2.207114  -3.869576      4.414229 
1 1 1 -6  2  33 o 15.61364 4.205191  1.463377       8.410381 
1 1 1 -6  2  34 f 31.78828 3.420266  2.385719       6.840531 
1 1 1 -6  2  35 o 26.47359 4.064914  -1.631535      8.129827 
1 1 1 -6  2  36 o 14.41249 3.999556  -5.986917      7.999112 
1 1 1 -6  2  37 o 13.89195 4.284431  -3.366367      8.568861 
1 1 1 -6  3  1  o 257.9154 3.650015  -9.034409      7.300031 
1 1 1 -6  3  2  o 238.4982 2.418422  -10.17435      4.836844 
1 1 1 -6  3  3  o 195.2625 2.078727  -12.85625      4.157454 
1 1 1 -6  3  4  o 98.13617 2.002557  -1.583076      4.005114 
1 1 1 -6  3  5  o 162.4216 1.818422  -3.128723      3.636844 
1 1 1 -6  3  6  o 114.8055 1.506961  0.4397888      3.013922 
1 1 1 -6  3  7  o 279.4161 3.954141  0.6636658      7.908281 
1 1 1 -6  3  8  o 198.0948 2.535618  0.5973206      5.071237 
1 1 1 -6  3  9  o 254.4856 2.582330  -4.294388      5.164660 
1 1 1 -6  3  10 o 180.9111 1.972122  5.133133       3.944244 
1 1 1 -6  3  11 o 277.7362 2.778276  -9.853943      5.556552 
1 1 1 -6  3  12 o 224.1908 2.885301  -2.614929      5.770603 
1 1 1 -6  3  13 o 216.6125 2.262441  6.931854       4.524882 
1 1 1 -6  3  14 o 100.0208 2.181209  -1.979500      4.362419 
1 1 1 -6  3  15 o 85.00185 1.530697  2.341957       3.061394 
1 1 1 -6  3  16 o 191.1575 2.098829  -2.832504      4.197658 
1 1 1 -6  3  17 o 141.1985 4.083702  ?              ?        
1 1 1 -6  3  18 o 148.7699 1.851892  3.411972       3.703783 
1 1 1 -6  3  19 o 68.66280 1.684432  -1.614693      3.368864 
1 1 1 -6  3  20 o 146.5345 1.836848  0.4452362      3.673696 
1 1 1 -6  3  21 o 153.5659 2.764922  8.693329       5.529844 
1 1 1 -6  3  22 o 109.9325 1.694324  -2.590515      3.388647 
1 1 1 -6  3  23 o 90.43082 2.175335  0.1832352      4.350671 
1 1 1 -6  3  24 f 75.33075 1.729217  -4.197746      3.458434 
1 1 1 -6  3  25 o 24.27481 3.430915  -1.894608      6.861830 
1 1 1 -6  3  26 o 86.82727 1.842361  -11.27991      3.684722 
1 1 1 -6  3  27 o 64.40260 2.109443  -5.440586      4.218886 
1 1 1 -6  3  28 o 19.14727 4.141927  -4.573370      8.283854 
1 1 1 -6  3  29 o 87.17987 2.623649  -1.820816      5.247298 
1 1 1 -6  3  30 o 52.17102 2.631723  -9.901291      5.263446 
1 1 1 -6  3  31 o 42.03465 3.561231  -0.3158073     7.122462 
1 1 1 -6  3  32 o 9.217282 3.173830  1.274139       6.347659 
1 1 1 -6  3  33 o 80.31048 2.502636  -7.557465      5.005272 
1 1 1 -6  3  34 o 31.19318 3.524955  -3.637732      7.049910 
1 1 1 -6  3  35 o 39.39432 3.167759  -10.64915      6.335519 
1 1 1 -6  3  36 o 30.47090 3.724666  -10.63499      7.449333 
1 1 1 -6  3  37 o 12.57043 3.910522  -5.376928      7.821044 
1 1 1 -6  4  1  o 188.9192 2.478403  -1.680588      4.956806 
1 1 1 -6  4  2  o 154.6018 2.224872  -6.635529      4.449743 
1 1 1 -6  4  3  o 193.9503 2.580747  -10.53134      5.161495 
1 1 1 -6  4  4  o 162.0325 1.876930  1.805206       3.753859 
1 1 1 -6  4  5  o 58.45135 1.460436  -3.201099      2.920872 
1 1 1 -6  4  6  o 108.3855 1.567405  3.145576       3.134809 
1 1 1 -6  4  7  o 251.3900 3.663142  -3.843994      7.326284 
1 1 1 -6  4  8  o 62.64894 1.740470  -3.209175      3.480940 
1 1 1 -6  4  9  o 106.8708 1.582579  -1.193199      3.165157 
1 1 1 -6  4  10 o 150.8298 1.826363  -7.085571      3.652725 
1 1 1 -6  4  11 o 343.0543 4.783935  -3.499878      9.567870 
1 1 1 -6  4  12 o 294.2133 2.965571  -1.214386      5.931142 
1 1 1 -6  4  13 o 243.4325 3.124102  0.8660889      6.248204 
1 1 1 -6  4  14 o 175.3785 2.035996  1.229263       4.071992 
1 1 1 -6  4  15 o 225.2994 2.418691  -5.470734      4.837381 
1 1 1 -6  4  16 o 168.2569 2.014549  0.3546448      4.029098 
1 1 1 -6  4  17 o 146.3364 1.927582  6.207520       3.855163 
1 1 1 -6  4  18 o 141.4846 1.893899  -1.825073      3.787799 
1 1 1 -6  4  19 o 122.6586 1.792596  4.489677       3.585191 
1 1 1 -6  4  20 o 209.3132 2.732918  0.4215393      5.465835 
1 1 1 -6  4  21 o 103.5497 2.362648  8.089424       4.725296 
1 1 1 -6  4  22 o 141.2270 1.917779  4.200729       3.835559 
1 1 1 -6  4  23 o 99.33890 2.064945  10.45455       4.129889 
1 1 1 -6  4  24 o 107.9189 1.817818  -2.465797      3.635636 
1 1 1 -6  4  25 o 35.35286 2.659173  7.194901       5.318347 
1 1 1 -6  4  26 o 37.93041 2.691783  4.097210       5.383566 
1 1 1 -6  4  27 o 40.57370 2.827129  ?              ?        
1 1 1 -6  4  28 o 34.75080 3.722906  -11.32274      7.445812 
1 1 1 -6  4  29 o 43.01252 5.327466  -11.66177      10.65493 
1 1 1 -6  4  30 o 52.42830 2.665172  0.2151489E-02  5.330345 
1 1 1 -6  4  31 o 40.97887 3.217264  1.683598       6.434529 
1 1 1 -6  4  32 o 22.56411 3.964982  -13.26981      7.929964 
1 1 1 -6  4  33 o 27.51759 5.077504  -0.2395630E-01 10.15501 
1 1 1 -6  4  34 o 26.79887 3.941730  -18.12268      7.883460 
1 1 1 -6  4  35 o 22.34378 4.616614  -5.287029      9.233228 
1 1 1 -6  4  36 o 14.08057 6.400224  ?              ?        
1 1 1 -6  5  1  o 117.8481 3.085052  ?              ?        
1 1 1 -6  5  2  o 176.7240 2.434824  -3.707153      4.869648 
1 1 1 -6  5  3  o 162.5816 2.314945  -4.163025      4.629891 
1 1 1 -6  5  4  o 184.7109 2.114107  -0.6511383     4.228213 
1 1 1 -6  5  5  o 206.7442 2.285228  -3.220108      4.570457 
1 1 1 -6  5  6  o 267.7571 2.778078  11.70764       5.556156 
1 1 1 -6  5  7  o 69.62898 2.218576  0.2457886      4.437152 
1 1 1 -6  5  8  o 179.4935 2.526668  3.461639       5.053335 
1 1 1 -6  5  9  o 204.3537 2.284972  -6.291412      4.569944 
1 1 1 -6  5  10 o 79.93587 2.217816  -2.387787      4.435631 
1 1 1 -6  5  11 o 379.5687 3.743411  2.857117       7.486823 
1 1 1 -6  5  12 o 317.1850 3.960709  3.077759       7.921418 
1 1 1 -6  5  13 o 95.04863 2.128514  2.218330       4.257027 
1 1 1 -6  5  14 o 231.5932 2.524072  2.687027       5.048144 
1 1 1 -6  5  15 o 149.8343 1.975037  -3.875092      3.950075 
1 1 1 -6  5  16 f 279.3278 2.903133  -0.3839111E-01 5.806265 
1 1 1 -6  5  17 o 229.0942 2.522379  -5.578079      5.044757 
1 1 1 -6  5  18 o 200.1161 2.327357  10.42294       4.654715 
1 1 1 -6  5  19 o 34.16140 2.940651  ?              ?        
1 1 1 -6  5  20 o 112.3164 2.564970  14.94981       5.129939 
1 1 1 -6  5  21 o 194.9826 2.285707  1.073288       4.571414 
1 1 1 -6  5  22 o 128.1811 2.373348  1.955421       4.746696 
1 1 1 -6  5  23 o 126.7959 1.929739  5.784485       3.859478 
1 1 1 -6  5  24 o 49.37537 2.192139  2.708031       4.384278 
1 1 1 -6  5  25 o 90.93890 2.056295  ?              ?        
1 1 1 -6  5  26 o 24.78931 3.933959  -11.12141      7.867918 
1 1 1 -6  5  27 o 19.28819 4.517903  7.783222       9.035806 
1 1 1 -6  5  28 o 62.32944 2.850563  10.09829       5.701127 
1 1 1 -6  5  29 o 42.13034 5.050207  -12.71628      10.10041 
1 1 1 -6  5  30 o 73.10799 3.007017  10.42335       6.014034 
1 1 1 -6  5  31 o 36.22858 4.270191  -10.94630      8.540382 
1 1 1 -6  5  32 o 32.12259 3.889065  -16.41872      7.778131 
1 1 1 -6  5  33 o 35.33175 4.397302  -2.768433      8.794603 
1 1 1 -6  5  34 o 30.65453 3.889455  -14.10358      7.778910 
1 1 1 -6  5  35 o 56.87061 2.711460  -20.86248      5.422920 
1 1 1 -6  5  36 o 20.03160 4.952514  -7.599148      9.905027 
1 1 1 -6  6  1  o 84.26858 2.057318  5.271866       4.114635 
1 1 1 -6  6  2  o 83.72845 2.096868  1.317116       4.193737 
1 1 1 -6  6  3  o 106.3184 1.945967  -15.38068      3.891933 
1 1 1 -6  6  4  o 54.44066 1.962333  -3.919918      3.924666 
1 1 1 -6  6  5  o 78.88132 1.954732  -3.788391      3.909465 
1 1 1 -6  6  6  o 81.10188 2.037311  6.470802       4.074623 
1 1 1 -6  6  7  o 106.5417 2.073729  -1.476479      4.147458 
1 1 1 -6  6  8  o 236.2691 3.118316  4.897568       6.236632 
1 1 1 -6  6  9  o 214.9243 3.383580  -1.270920      6.767159 
1 1 1 -6  6  10 o 178.8455 2.166798  4.132065       4.333596 
1 1 1 -6  6  11 o 96.30060 2.282416  2.815002       4.564833 
1 1 1 -6  6  12 o 167.5392 2.562496  3.669632       5.124992 
1 1 1 -6  6  13 o 390.8686 3.886117  8.501862       7.772233 
1 1 1 -6  6  14 o 151.9899 2.076988  8.731522       4.153977 
1 1 1 -6  6  15 o 82.71413 2.019809  6.667236       4.039619 
1 1 1 -6  6  16 o 232.1879 2.597268  4.709717       5.194537 
1 1 1 -6  6  17 o 175.7312 2.230873  -0.7227631     4.461745 
1 1 1 -6  6  18 o 88.83967 1.922244  7.844269       3.844488 
1 1 1 -6  6  19 o 103.6728 2.119628  -6.668053      4.239255 
1 1 1 -6  6  20 o 124.3230 1.999270  5.373390       3.998539 
1 1 1 -6  6  21 o 67.01636 2.664448  -9.963799      5.328895 
1 1 1 -6  6  22 f 58.70414 2.560514  -2.722073      5.121027 
1 1 1 -6  6  23 o 58.91479 2.078463  -2.515808      4.156926 
1 1 1 -6  6  24 o 68.66459 2.091612  -3.997803      4.183225 
1 1 1 -6  6  25 o 134.8416 2.079901  1.374451       4.159803 
1 1 1 -6  6  26 o 80.02705 2.113610  -0.9202881     4.227221 
1 1 1 -6  6  27 o 91.10392 2.181733  -1.791672      4.363466 
1 1 1 -6  6  28 o 34.61654 4.433173  -12.99541      8.866345 
1 1 1 -6  6  29 o 53.91975 2.747387  8.771122       5.494774 
1 1 1 -6  6  30 o 65.72795 2.614297  -16.05169      5.228594 
1 1 1 -6  6  31 o 55.43090 2.699185  3.701302       5.398369 
1 1 1 -6  6  32 o 18.06889 4.281392  -9.297128      8.562784 
1 1 1 -6  6  33 o 13.45996 4.123460  -0.5228462     8.246921 
1 1 1 -6  6  34 o 30.43077 4.057724  -0.1539345     8.115449 
1 1 1 -6  6  35 o 30.42510 4.942780  -3.028803      9.885559 
1 1 1 -6  6  36 o 25.68702 3.630691  -28.00003      7.261382 
1 1 1 -6  7  1  o 93.45391 2.174201  -1.758011      4.348401 
1 1 1 -6  7  2  o 116.8962 2.361173  1.792152       4.722345 
1 1 1 -6  7  3  o 123.9280 2.453748  -3.730713      4.907497 
1 1 1 -6  7  4  o 162.7806 2.434920  -9.320877      4.869839 
1 1 1 -6  7  5  o 230.1019 3.051060  -5.975586      6.102121 
1 1 1 -6  7  6  o 127.4873 2.229288  -7.402298      4.458576 
1 1 1 -6  7  7  o 159.9928 2.928364  -0.8828278     5.856727 
1 1 1 -6  7  8  o 140.6133 2.472808  -0.8522797     4.945616 
1 1 1 -6  7  9  o 91.56271 1.888911  -4.330643      3.777822 
1 1 1 -6  7  10 o 107.5354 2.804052  -8.190109      5.608103 
1 1 1 -6  7  11 o 165.1611 2.197306  -5.760101      4.394613 
1 1 1 -6  7  12 o 323.3190 3.340991  -6.499573      6.681981 
1 1 1 -6  7  13 o 241.2518 2.704640  5.108627       5.409280 
1 1 1 -6  7  14 o 242.3678 2.730157  4.594742       5.460314 
1 1 1 -6  7  15 o 260.4683 2.858096  2.137115       5.716191 
1 1 1 -6  7  16 o 262.5867 2.885977  4.662994       5.771953 
1 1 1 -6  7  17 o 76.20721 2.183488  -3.047928      4.366976 
1 1 1 -6  7  18 o 177.1693 2.626130  3.472122       5.252259 
1 1 1 -6  7  19 o 253.2502 3.564011  8.413269       7.128021 
1 1 1 -6  7  20 o 48.51432 3.483205  -10.86592      6.966411 
1 1 1 -6  7  21 f 128.1017 2.541462  -5.282532      5.082924 
1 1 1 -6  7  22 o 42.15487 2.602885  6.042011       5.205770 
1 1 1 -6  7  23 o 51.77318 2.315276  ?              ?        
1 1 1 -6  7  24 o 129.0926 2.104262  -5.411072      4.208523 
1 1 1 -6  7  25 o 93.93382 2.152445  -5.835373      4.304890 
1 1 1 -6  7  26 o 93.59010 2.227117  -2.178879      4.454235 
1 1 1 -6  7  27 o 82.68381 2.629622  -13.97245      5.259243 
1 1 1 -6  7  28 f 60.36284 4.062814  -7.587601      8.125628 
1 1 1 -6  7  29 o 34.31030 5.217486  -11.61355      10.43497 
1 1 1 -6  7  30 o 14.82724 4.554673  -3.955529      9.109346 
1 1 1 -6  7  31 o 42.79319 3.104731  6.071812       6.209462 
1 1 1 -6  7  32 o 65.80958 2.608791  -28.95390      5.217582 
1 1 1 -6  7  33 o 25.81812 4.246227  2.587179       8.492454 
1 1 1 -6  7  34 o 15.45920 4.404840  2.902572       8.809680 
1 1 1 -6  7  35 o 17.49739 4.412981  7.845244       8.825962 
1 1 1 -6  7  36 o 16.04392 6.448687  ?              ?        
1 1 1 -6  8  1  o 233.8441 3.564996  -1.738739      7.129992 
1 1 1 -6  8  2  o 103.1740 2.393768  -1.173477      4.787536 
1 1 1 -6  8  3  o 114.4342 2.476953  -7.593643      4.953906 
1 1 1 -6  8  4  o 150.4787 2.789080  11.02203       5.578160 
1 1 1 -6  8  5  o 171.1188 3.119629  9.520630       6.239259 
1 1 1 -6  8  6  o 236.7725 3.779004  6.194962       7.558007 
1 1 1 -6  8  7  o 289.1492 3.804727  10.77460       7.609453 
1 1 1 -6  8  8  o 184.2064 3.247257  3.081314       6.494515 
1 1 1 -6  8  9  o 346.3423 7.085991  ?              ?        
1 1 1 -6  8  10 o 130.1587 2.484934  -0.7858887     4.969868 
1 1 1 -6  8  11 o 167.3842 2.264358  -2.291031      4.528715 
1 1 1 -6  8  12 o 155.5285 2.230872  0.6215973      4.461744 
1 1 1 -6  8  13 o 198.4714 2.484427  1.312927       4.968853 
1 1 1 -6  8  14 o 324.2427 3.421926  10.62299       6.843853 
1 1 1 -6  8  15 o 178.2036 2.397951  5.628448       4.795901 
1 1 1 -6  8  16 o 126.1999 2.209470  2.624352       4.418941 
1 1 1 -6  8  17 o 229.5091 3.159104  10.10616       6.318208 
1 1 1 -6  8  18 o 176.5284 2.915715  -10.39722      5.831431 
1 1 1 -6  8  19 o 51.07132 3.324804  4.820671       6.649607 
1 1 1 -6  8  20 f 155.4902 2.747710  3.750641       5.495421 
1 1 1 -6  8  21 o 114.5770 2.115515  0.8584976      4.231030 
1 1 1 -6  8  22 o 25.61819 3.927613  -3.151909      7.855225 
1 1 1 -6  8  23 o 72.24449 2.239613  -3.634727      4.479225 
1 1 1 -6  8  24 o 48.78199 2.748099  -1.040237      5.496198 
1 1 1 -6  8  25 o 49.37624 2.779570  -0.2036705     5.559140 
1 1 1 -6  8  26 o 24.78432 4.987539  2.554846       9.975078 
1 1 1 -6  8  27 o 41.51824 5.081760  -2.476254      10.16352 
1 1 1 -6  8  28 f 52.15382 3.723253  16.10192       7.446505 
1 1 1 -6  8  29 o 66.06664 3.271450  -10.63534      6.542901 
1 1 1 -6  8  30 o 47.59277 5.051219  ?              ?        
1 1 1 -6  8  31 o 29.03178 4.281434  -9.847803      8.562867 
1 1 1 -6  8  32 o 41.22950 3.291110  -15.62792      6.582221 
1 1 1 -6  8  33 o 55.11673 3.699744  ?              ?        
1 1 1 -6  8  34 o 14.22185 4.496731  -2.712292      8.993463 
1 1 1 -6  8  35 o 14.03057 4.398548  -7.387933      8.797096 
1 1 1 -6  9  1  o 176.6694 3.044928  -7.992645      6.089856 
1 1 1 -6  9  2  o 49.79369 2.775274  4.488415       5.550548 
1 1 1 -6  9  3  o 278.1373 5.887991  ?              ?        
1 1 1 -6  9  4  o 321.2032 4.684423  16.47256       9.368846 
1 1 1 -6  9  5  o 115.7732 2.686519  -5.651718      5.373039 
1 1 1 -6  9  6  o 307.9350 4.551647  -9.831940      9.103293 
1 1 1 -6  9  7  o 73.32525 3.922553  ?              ?        
1 1 1 -6  9  8  o 320.2691 4.768493  7.875275       9.536986 
1 1 1 -6  9  9  o 212.0918 3.119803  1.837219       6.239605 
1 1 1 -6  9  10 o 58.41311 2.989022  -2.077438      5.978044 
1 1 1 -6  9  11 o 207.5276 3.130826  5.196289       6.261651 
1 1 1 -6  9  12 o 88.66438 2.831673  -0.3871231     5.663345 
1 1 1 -6  9  13 o 212.1617 3.205936  0.8676605      6.411872 
1 1 1 -6  9  14 o 133.5139 2.988539  ?              ?        
1 1 1 -6  9  15 o 145.6670 2.336853  8.658768       4.673705 
1 1 1 -6  9  16 o 276.3245 3.791331  -6.592255      7.582661 
1 1 1 -6  9  17 f 121.3197 2.799956  8.611710       5.599912 
1 1 1 -6  9  18 o 121.9084 3.163659  3.545052       6.327317 
1 1 1 -6  9  19 o 28.82311 4.923982  3.836308       9.847964 
1 1 1 -6  9  20 o 38.56096 3.072893  4.595917       6.145785 
1 1 1 -6  9  21 f 147.7244 2.273389  0.7422485      4.546779 
1 1 1 -6  9  22 o 63.01936 2.459513  -9.767380      4.919027 
1 1 1 -6  9  23 o 101.2825 2.240536  7.167915       4.481072 
1 1 1 -6  9  24 o 68.93999 2.509727  2.017479       5.019454 
1 1 1 -6  9  25 o 81.63005 2.609473  2.644936       5.218946 
1 1 1 -6  9  26 o 37.13403 4.140555  1.292480       8.281111 
1 1 1 -6  9  27 o 25.32402 5.707804  2.716314       11.41561 
1 1 1 -6  9  28 o 38.43736 4.030742  -3.426678      8.061483 
1 1 1 -6  9  29 o 39.42226 3.616240  -0.7159882     7.232480 
1 1 1 -6  9  30 f 43.61661 2.967158  5.259331       5.934317 
1 1 1 -6  9  31 o 15.10731 4.292441  6.396236       8.584882 
1 1 1 -6  9  32 o 20.09615 4.339227  -9.889031      8.678454 
1 1 1 -6  9  33 o 33.67592 3.729159  -16.35572      7.458319 
1 1 1 -6  9  34 o 57.82670 2.853315  -37.47295      5.706631 
1 1 1 -6  9  35 o 18.27023 5.040393  -7.376801      10.08079 
1 1 1 -6  10 1  o 193.3034 3.267975  -4.367737      6.535951 
1 1 1 -6  10 2  o 205.1984 3.399082  0.3877869      6.798164 
1 1 1 -6  10 3  o 167.2459 3.069637  4.124725       6.139274 
1 1 1 -6  10 4  o 183.9082 4.537315  ?              ?        
1 1 1 -6  10 5  o 418.1458 5.904104  -1.902802      11.80821 
1 1 1 -6  10 6  o 319.1562 4.723971  -3.365753      9.447943 
1 1 1 -6  10 7  o 259.4456 3.600460  9.639954       7.200921 
1 1 1 -6  10 8  o 388.0720 5.634835  3.797333       11.26967 
1 1 1 -6  10 9  o 380.0357 4.732728  -9.682434      9.465455 
1 1 1 -6  10 10 o 205.3791 3.157683  0.7986450E-01  6.315366 
1 1 1 -6  10 11 o 106.4006 2.740256  -5.254211      5.480512 
1 1 1 -6  10 12 o 60.38496 3.437413  1.713715       6.874825 
1 1 1 -6  10 13 o 97.18695 2.883763  6.132172       5.767526 
1 1 1 -6  10 14 o 185.5793 3.512637  -5.760422      7.025274 
1 1 1 -6  10 15 o 151.8004 2.942206  0.2749786      5.884411 
1 1 1 -6  10 16 o 29.10068 6.048729  3.312992       12.09746 
1 1 1 -6  10 17 o 127.8411 3.129868  -2.451630      6.259736 
1 1 1 -6  10 18 f 121.9983 3.721095  ?              ?        
1 1 1 -6  10 19 o 68.57788 2.450482  -1.038292      4.900963 
1 1 1 -6  10 20 o 128.8417 2.320496  5.458191       4.640991 
1 1 1 -6  10 21 o 99.20122 2.325472  0.1195145      4.650944 
1 1 1 -6  10 22 o 18.12870 4.439436  -3.541668      8.878872 
1 1 1 -6  10 23 o 42.32116 3.284596  8.478428       6.569192 
1 1 1 -6  10 24 o 63.50706 2.860849  9.736034       5.721698 
1 1 1 -6  10 25 o 27.18123 5.060016  3.323112       10.12003 
1 1 1 -6  10 26 o 99.10664 2.668448  -1.294830      5.336896 
1 1 1 -6  10 27 o 55.48928 3.234907  -5.036030      6.469813 
1 1 1 -6  10 28 o 67.76590 3.392206  -0.8025665     6.784413 
1 1 1 -6  10 29 o 24.60433 4.427888  -10.34214      8.855777 
1 1 1 -6  10 30 o 15.44570 4.363676  -1.147405      8.727351 
1 1 1 -6  10 31 f 63.00998 2.571355  -26.24643      5.142710 
1 1 1 -6  10 32 o 27.56855 4.864493  -17.60127      9.728986 
1 1 1 -6  10 33 o 31.49616 4.089874  -11.80474      8.179748 
1 1 1 -6  10 34 o 21.65693 7.633636  ?              ?        
1 1 1 -6  10 35 o 13.07045 4.170938  -5.951111      8.341877 
1 1 1 -6  11 1  o 180.1639 4.549964  ?              ?        
1 1 1 -6  11 2  f 142.5457 2.927756  -1.733276      5.855513 
1 1 1 -6  11 3  o 219.5101 3.635035  7.620590       7.270070 
1 1 1 -6  11 4  o 129.6983 2.934819  -6.713249      5.869639 
1 1 1 -6  11 5  f 148.3704 3.061056  2.861404       6.122111 
1 1 1 -6  11 6  o 488.5878 6.840193  10.64777       13.68039 
1 1 1 -6  11 7  o 259.5870 4.121616  -6.190002      8.243233 
1 1 1 -6  11 8  o 60.23920 3.966761  16.66724       7.933521 
1 1 1 -6  11 9  o 175.0593 3.574700  2.797516       7.149399 
1 1 1 -6  11 10 o 288.3724 3.928342  3.185669       7.856684 
1 1 1 -6  11 11 o 30.24029 5.614682  2.360109       11.22936 
1 1 1 -6  11 12 o 109.5657 3.006081  11.21902       6.012162 
1 1 1 -6  11 13 o 111.8449 3.331020  13.57744       6.662040 
1 1 1 -6  11 14 o 85.39920 3.056484  -3.956833      6.112968 
1 1 1 -6  11 15 o 108.4798 3.104306  ?              ?        
1 1 1 -6  11 16 o 169.8293 3.520843  -0.2212372     7.041686 
1 1 1 -6  11 17 f 90.05862 2.972657  -1.309181      5.945314 
1 1 1 -6  11 18 o 66.98836 4.126895  ?              ?        
1 1 1 -6  11 19 o 121.7356 2.936065  3.271660       5.872130 
1 1 1 -6  11 20 o 137.0276 2.946800  -7.425003      5.893599 
1 1 1 -6  11 21 f 99.86705 2.375283  -3.539894      4.750566 
1 1 1 -6  11 22 o 50.96268 3.020185  -0.4581108     6.040369 
1 1 1 -6  11 23 o 44.68587 3.973061  -7.469128      7.946121 
1 1 1 -6  11 24 o 49.84636 3.405377  -9.927887      6.810755 
1 1 1 -6  11 25 o 63.69173 4.712375  -9.396927      9.424749 
1 1 1 -6  11 26 o 93.35268 2.704998  -2.713013      5.409996 
1 1 1 -6  11 27 o 49.93252 4.208478  -10.30083      8.416957 
1 1 1 -6  11 28 o 45.70545 3.312821  10.97971       6.625641 
1 1 1 -6  11 29 o 74.03337 2.590311  -16.32331      5.180623 
1 1 1 -6  11 30 o 19.60249 4.063696  -10.61772      8.127393 
1 1 1 -6  11 31 o 18.05788 4.557400  4.078875       9.114800 
1 1 1 -6  11 32 o 15.40852 6.808615  ?              ?        
1 1 1 -6  11 33 o 17.83294 4.532919  -12.32523      9.065839 
1 1 1 -6  11 34 o 14.91275 4.416635  -6.872654      8.833270 
1 1 1 -6  12 1  o 106.5048 2.889542  -6.817009      5.779084 
1 1 1 -6  12 2  o 196.3198 3.448792  1.595520       6.897583 
1 1 1 -6  12 3  o 369.6206 5.374269  -7.586792      10.74854 
1 1 1 -6  12 4  o 227.4129 3.808779  2.697586       7.617558 
1 1 1 -6  12 5  o 103.4987 3.181536  3.288666       6.363071 
1 1 1 -6  12 6  o 88.76852 3.190933  -2.996658      6.381867 
1 1 1 -6  12 7  o 118.7966 3.155714  6.948868       6.311428 
1 1 1 -6  12 8  o 144.0897 4.779000  ?              ?        
1 1 1 -6  12 9  o 80.13817 3.793936  -14.50331      7.587871 
1 1 1 -6  12 10 o 40.46358 5.132918  -22.07660      10.26584 
1 1 1 -6  12 11 o 27.25714 6.758899  -2.473959      13.51780 
1 1 1 -6  12 12 o 143.5804 2.971123  0.7142334      5.942245 
1 1 1 -6  12 13 o 137.4139 2.969377  7.296768       5.938753 
1 1 1 -6  12 14 o 42.07572 4.984577  ?              ?        
1 1 1 -6  12 15 o 151.3615 3.432415  0.2417603      6.864830 
1 1 1 -6  12 16 o 113.0373 2.914589  -7.106964      5.829178 
1 1 1 -6  12 17 o 56.76048 3.513583  0.6390915      7.027167 
1 1 1 -6  12 18 o 98.96005 4.227468  ?              ?        
1 1 1 -6  12 19 o 47.08608 4.801029  -13.13556      9.602057 
1 1 1 -6  12 20 o 50.97326 3.876288  -10.54303      7.752576 
1 1 1 -6  12 21 o 213.3671 3.463278  -9.637802      6.926557 
1 1 1 -6  12 22 o 158.3668 3.556517  -3.356201      7.113033 
1 1 1 -6  12 23 o 89.57265 3.324110  3.560265       6.648221 
1 1 1 -6  12 24 o 40.21847 4.502827  ?              ?        
1 1 1 -6  12 25 o 48.28236 5.088388  -5.465771      10.17678 
1 1 1 -6  12 26 o 18.89990 5.843979  1.721869       11.68796 
1 1 1 -6  12 27 o 27.42917 5.317196  -6.712244      10.63439 
1 1 1 -6  12 28 o 45.32186 3.307583  -6.506939      6.615167 
1 1 1 -6  12 29 o 38.76287 3.486893  -4.036369      6.973786 
1 1 1 -6  12 30 o 36.37960 3.575000  -10.51892      7.150000 
1 1 1 -6  12 31 o 23.38509 4.935450  -0.1841640     9.870899 
1 1 1 -6  12 32 o 17.42203 4.800522  1.392168       9.601045 
1 1 1 -6  12 33 o 25.34489 3.892447  -22.83259      7.784893 
1 1 1 -6  12 34 o 18.65662 4.991278  1.112654       9.982556 
1 1 1 -6  13 1  o 125.1538 3.105097  -2.554916      6.210194 
1 1 1 -6  13 2  o 87.72528 3.203791  0.8569107      6.407582 
1 1 1 -6  13 3  o 134.3227 3.211778  0.9445190E-02  6.423556 
1 1 1 -6  13 4  o 153.1029 3.329431  -6.283066      6.658862 
1 1 1 -6  13 5  o 161.1591 3.432198  -3.864487      6.864396 
1 1 1 -6  13 6  f 146.7954 3.350950  2.627411       6.701900 
1 1 1 -6  13 7  o 166.9760 3.460941  -2.077103      6.921882 
1 1 1 -6  13 8  o 132.9992 4.910376  ?              ?        
1 1 1 -6  13 9  o 157.2002 5.005208  ?              ?        
1 1 1 -6  13 10 o 145.5158 3.064939  2.149963       6.129878 
1 1 1 -6  13 11 o 104.2609 3.049840  6.001358       6.099681 
1 1 1 -6  13 12 o 219.8966 5.528703  ?              ?        
1 1 1 -6  13 13 o 53.64530 4.137503  -7.465496      8.275005 
1 1 1 -6  13 14 o 128.4953 2.973865  -0.3473511     5.947729 
1 1 1 -6  13 15 o 62.34308 3.450175  6.717129       6.900350 
1 1 1 -6  13 16 o 53.96476 3.677759  -2.858437      7.355519 
1 1 1 -6  13 17 o 29.49601 4.896237  -7.489029      9.792475 
1 1 1 -6  13 18 o 85.02520 4.474758  ?              ?        
1 1 1 -6  13 19 o 93.82654 3.181691  -6.537262      6.363382 
1 1 1 -6  13 20 o 147.1960 3.178176  -1.860733      6.356352 
1 1 1 -6  13 21 o 93.87403 3.238002  -3.502304      6.476004 
1 1 1 -6  13 22 o 20.72799 5.736868  3.210598       11.47374 
1 1 1 -6  13 23 o 15.51854 6.561903  ?              ?        
1 1 1 -6  13 24 o 77.22964 4.243066  -2.826004      8.486133 
1 1 1 -6  13 25 o 35.01521 5.685061  -9.452141      11.37012 
1 1 1 -6  13 26 o 44.39516 5.123452  -13.55037      10.24690 
1 1 1 -6  13 27 o 20.90793 5.522963  2.682190       11.04593 
1 1 1 -6  13 28 o 17.12134 5.119862  9.090933       10.23972 
1 1 1 -6  13 29 o 14.57336 4.537426  5.350927       9.074851 
1 1 1 -6  13 30 o 39.57504 4.338704  -15.50274      8.677407 
1 1 1 -6  13 31 o 22.53704 4.790987  -1.114817      9.581973 
1 1 1 -6  13 32 o 10.92076 3.636277  5.767611       7.272555 
1 1 1 -6  13 33 o 20.77899 4.891337  -14.69173      9.782675 
1 1 1 -6  14 1  o 189.5423 3.543269  -5.139053      7.086538 
1 1 1 -6  14 2  o 159.8958 3.343055  0.7755127      6.686111 
1 1 1 -6  14 3  o 223.0926 3.877962  -1.156448      7.755925 
1 1 1 -6  14 4  o 104.7790 3.327318  2.447853       6.654637 
1 1 1 -6  14 5  o 197.4113 5.242763  ?              ?        
1 1 1 -6  14 6  o 100.0706 3.440614  1.485031       6.881227 
1 1 1 -6  14 7  o 237.1921 4.102293  13.05257       8.204587 
1 1 1 -6  14 8  o 56.99454 4.380423  -2.163746      8.760846 
1 1 1 -6  14 9  x ?        ?         ?              ?        
1 1 1 -6  14 10 f 71.69086 3.876548  -5.508209      7.753097 
1 1 1 -6  14 11 o 62.80824 3.604670  -1.481445      7.209341 
1 1 1 -6  14 12 o 193.1720 3.297002  -6.978180      6.594004 
1 1 1 -6  14 13 o 69.38768 3.406541  -0.9065323     6.813083 
1 1 1 -6  14 14 o 133.6846 3.058315  -0.2134705E-01 6.116629 
1 1 1 -6  14 15 o 39.73523 4.508043  2.012321       9.016087 
1 1 1 -6  14 16 o 87.94067 3.161393  -4.708389      6.322786 
1 1 1 -6  14 17 o 150.8320 3.203350  10.22685       6.406701 
1 1 1 -6  14 18 o 21.58948 8.168419  ?              ?        
1 1 1 -6  14 19 o 93.07414 3.650097  4.008476       7.300195 
1 1 1 -6  14 20 o 88.63051 3.286320  15.97303       6.572639 
1 1 1 -6  14 21 o 49.15984 4.377258  ?              ?        
1 1 1 -6  14 22 o 55.38647 4.899783  -13.23374      9.799566 
1 1 1 -6  14 23 o 74.71223 4.434848  0.1650925      8.869696 
1 1 1 -6  14 24 o 22.12740 5.976853  4.196671       11.95371 
1 1 1 -6  14 25 o 47.73789 4.773985  0.7010880      9.547970 
1 1 1 -6  14 26 o 50.19995 4.501700  7.203773       9.003401 
1 1 1 -6  14 27 o 20.27714 5.145766  -3.405657      10.29153 
1 1 1 -6  14 28 o 15.81937 4.907658  8.517474       9.815316 
1 1 1 -6  14 29 o 15.98753 7.020334  ?              ?        
1 1 1 -6  14 30 o 28.87532 5.233191  ?              ?        
1 1 1 -6  14 31 o 30.36094 4.208043  -10.38325      8.416086 
1 1 1 -6  14 32 o 32.45902 4.743055  -22.16161      9.486110 
1 1 1 -6  14 33 o 17.12537 4.729643  1.421915       9.459286 
1 1 1 -6  15 1  o 98.87756 4.596731  ?              ?        
1 1 1 -6  15 2  o 35.13046 5.622503  6.824429       11.24501 
1 1 1 -6  15 3  o 206.9350 3.778396  9.318390       7.556793 
1 1 1 -6  15 4  o 125.6650 3.298109  4.830383       6.596219 
1 1 1 -6  15 5  o 180.5890 3.581905  -2.619308      7.163810 
1 1 1 -6  15 6  o 102.3217 4.616746  ?              ?        
1 1 1 -6  15 7  o 152.1118 3.477737  -3.903915      6.955473 
1 1 1 -6  15 8  f 131.1474 3.505832  -9.184418      7.011665 
1 1 1 -6  15 9  o 147.8159 5.029763  ?              ?        
1 1 1 -6  15 10 o 65.72269 3.888954  -1.196342      7.777909 
1 1 1 -6  15 11 o 71.69360 3.192522  -5.092247      6.385045 
1 1 1 -6  15 12 o 204.1564 3.452975  2.764252       6.905950 
1 1 1 -6  15 13 o 41.03048 4.434634  19.79262       8.869267 
1 1 1 -6  15 14 o 85.06196 3.253670  -9.982346      6.507340 
1 1 1 -6  15 15 o 133.9108 3.152428  -0.5684204     6.304856 
1 1 1 -6  15 16 o 117.9886 3.173479  -7.645828      6.346959 
1 1 1 -6  15 17 o 82.49907 3.859800  -1.572479      7.719600 
1 1 1 -6  15 18 o 67.08290 4.136854  ?              ?        
1 1 1 -6  15 19 o 138.5882 3.352233  10.37212       6.704466 
1 1 1 -6  15 20 o 69.59370 3.851985  ?              ?        
1 1 1 -6  15 21 o 81.56679 4.314047  -5.133255      8.628095 
1 1 1 -6  15 22 o 112.8233 3.445992  -11.89764      6.891984 
1 1 1 -6  15 23 o 22.92428 6.184723  6.221045       12.36945 
1 1 1 -6  15 24 o 70.78651 4.099076  -7.350189      8.198153 
1 1 1 -6  15 25 f 41.40137 5.594085  -14.98989      11.18817 
1 1 1 -6  15 26 f 16.83542 5.030889  -1.217918      10.06178 
1 1 1 -6  15 27 o 28.54903 5.494525  -2.625952      10.98905 
1 1 1 -6  15 28 o 12.44313 4.056979  3.680664       8.113958 
1 1 1 -6  15 29 o 20.53844 6.167154  ?              ?        
1 1 1 -6  15 30 o 16.94740 4.561474  1.376059       9.122948 
1 1 1 -6  15 31 o 17.09058 4.492783  -12.92522      8.985565 
1 1 1 -6  15 32 o 25.35030 4.269648  -12.34651      8.539296 
1 1 1 -6  16 1  o 98.82890 4.746685  ?              ?        
1 1 1 -6  16 2  o 140.4374 4.719849  ?              ?        
1 1 1 -6  16 3  o 25.87873 5.692376  0.5813980      11.38475 
1 1 1 -6  16 4  o 83.27902 3.507828  4.536560       7.015656 
1 1 1 -6  16 5  o 95.95257 3.384037  -3.465363      6.768075 
1 1 1 -6  16 6  o 106.4952 3.362158  5.700790       6.724315 
1 1 1 -6  16 7  o 83.70536 3.530669  -1.990601      7.061338 
1 1 1 -6  16 8  o 144.3051 3.497603  -8.351608      6.995207 
1 1 1 -6  16 9  o 74.79418 5.229101  ?              ?        
1 1 1 -6  16 10 o 40.75250 5.179747  -5.710384      10.35949 
1 1 1 -6  16 11 o 24.35291 5.195270  19.01051       10.39054 
1 1 1 -6  16 12 f 144.3049 3.173019  1.899811       6.346038 
1 1 1 -6  16 13 o 134.5663 3.164135  0.1461945      6.328270 
1 1 1 -6  16 14 o 107.6023 3.147496  1.127335       6.294993 
1 1 1 -6  16 15 o 58.41232 4.806197  6.342712       9.612394 
1 1 1 -6  16 16 o 43.45785 5.064921  3.726334       10.12984 
1 1 1 -6  16 17 o 84.83459 3.575771  3.110352       7.151543 
1 1 1 -6  16 18 o 61.03588 4.507280  ?              ?        
1 1 1 -6  16 19 o 44.89919 5.832378  0.5856056      11.66476 
1 1 1 -6  16 20 o 59.73878 4.246995  1.070168       8.493990 
1 1 1 -6  16 21 o 52.87968 4.602760  0.2332802      9.205520 
1 1 1 -6  16 22 o 21.50410 6.069788  11.67478       12.13958 
1 1 1 -6  16 23 o 62.66861 4.456913  -2.672737      8.913826 
1 1 1 -6  16 24 o 92.74797 3.598722  1.259445       7.197443 
1 1 1 -6  16 25 o 47.06520 5.148310  -3.912300      10.29662 
1 1 1 -6  16 26 o 30.89985 5.136393  -5.396446      10.27279 
1 1 1 -6  16 27 o 14.48363 4.492003  3.347573       8.984007 
1 1 1 -6  16 28 o 26.21006 4.774916  -4.396946      9.549831 
1 1 1 -6  16 29 f 12.98938 3.953281  5.720709       7.906561 
1 1 1 -6  16 30 o 11.71648 3.852626  -0.2311239     7.705253 
1 1 1 -6  16 31 f 12.66168 4.078852  0.9682264      8.157704 
1 1 1 -6  17 1  o 182.7094 5.183341  ?              ?        
1 1 1 -6  17 2  o 102.9972 3.313460  -4.734268      6.626920 
1 1 1 -6  17 3  o 154.7446 3.476573  0.8081818      6.953147 
1 1 1 -6  17 4  o 58.73788 3.853112  17.08248       7.706223 
1 1 1 -6  17 5  o 99.02899 3.412586  -2.428658      6.825172 
1 1 1 -6  17 6  o 76.06087 3.470286  4.101517       6.940571 
1 1 1 -6  17 7  o 60.26854 3.812954  5.907486       7.625909 
1 1 1 -6  17 8  o 92.77027 3.502912  7.893707       7.005824 
1 1 1 -6  17 9  o 89.97370 5.114147  ?              ?        
1 1 1 -6  17 10 o 76.72125 3.865417  -3.977043      7.730834 
1 1 1 -6  17 11 o 155.1662 3.678224  7.244568       7.356448 
1 1 1 -6  17 12 o 71.06708 4.440321  12.28767       8.880643 
1 1 1 -6  17 13 o 112.5527 3.261913  -1.265770      6.523826 
1 1 1 -6  17 14 o 24.11491 5.796082  -7.255686      11.59216 
1 1 1 -6  17 15 o 22.55593 8.820148  ?              ?        
1 1 1 -6  17 16 o 70.14142 4.292863  ?              ?        
1 1 1 -6  17 17 o 52.85771 5.267258  9.926891       10.53452 
1 1 1 -6  17 18 o 95.95679 4.087618  ?              ?        
1 1 1 -6  17 19 o 45.11414 5.441181  -6.174210      10.88236 
1 1 1 -6  17 20 o 39.33074 5.624699  -28.91665      11.24940 
1 1 1 -6  17 21 o 23.60159 5.802798  -6.837822      11.60560 
1 1 1 -6  17 22 o 36.27083 5.668003  -7.533443      11.33601 
1 1 1 -6  17 23 o 120.9020 3.505002  -4.194183      7.010004 
1 1 1 -6  17 24 o 70.83018 4.207652  -8.822502      8.415303 
1 1 1 -6  17 25 o 18.48196 5.238245  0.9874916      10.47649 
1 1 1 -6  17 26 o 48.56234 3.983922  ?              ?        
1 1 1 -6  17 27 f 11.45814 3.797553  -0.1822262     7.595105 
1 1 1 -6  17 28 o 14.62705 4.531342  3.265471       9.062683 
1 1 1 -6  17 29 o 10.28661 3.424583  -2.740773      6.849166 
1 1 1 -6  17 30 o 25.26273 7.105594  ?              ?        
1 1 1 -6  18 1  o 120.9730 4.810463  ?              ?        
1 1 1 -6  18 2  o 197.5650 5.477351  ?              ?        
1 1 1 -6  18 3  o 99.59109 3.426642  -4.650719      6.853284 
1 1 1 -6  18 4  o 19.61350 5.407209  -5.502512      10.81442 
1 1 1 -6  18 5  o 201.3059 3.895772  5.899414       7.791543 
1 1 1 -6  18 6  o 78.71109 3.629324  -1.170502      7.258648 
1 1 1 -6  18 7  o 120.0208 3.505322  4.552216       7.010645 
1 1 1 -6  18 8  o 33.76822 5.976195  -11.42686      11.95239 
1 1 1 -6  18 9  o 30.92507 8.879150  ?              ?        
1 1 1 -6  18 10 o 109.1702 5.230458  ?              ?        
1 1 1 -6  18 11 o 80.24338 3.978552  2.292168       7.957104 
1 1 1 -6  18 12 o 77.43646 3.996871  12.32719       7.993742 
1 1 1 -6  18 13 o 67.60899 4.549258  ?              ?        
1 1 1 -6  18 14 o 59.93264 4.915683  -11.06311      9.831367 
1 1 1 -6  18 15 o 96.69376 3.984468  7.886063       7.968936 
1 1 1 -6  18 16 o 50.76156 4.641418  6.170544       9.282837 
1 1 1 -6  18 17 o 156.4308 3.577655  -5.928421      7.155311 
1 1 1 -6  18 18 o 115.7086 4.146068  ?              ?        
1 1 1 -6  18 19 o 86.80244 3.891299  1.651993       7.782598 
1 1 1 -6  18 20 f 41.16611 5.784300  -18.85959      11.56860 
1 1 1 -6  18 21 o 67.28835 4.288447  -12.33590      8.576895 
1 1 1 -6  18 22 o 62.08879 4.611796  -11.47023      9.223592 
1 1 1 -6  18 23 o 15.14121 4.915805  4.002809       9.831610 
1 1 1 -6  18 24 o 25.49306 6.307889  ?              ?        
1 1 1 -6  18 25 o 53.73731 3.883960  -10.49223      7.767920 
1 1 1 -6  18 26 o 39.10306 4.611589  -23.87417      9.223178 
1 1 1 -6  18 27 o 18.13189 4.800134  3.390509       9.600268 
1 1 1 -6  18 28 o 17.91537 4.241755  13.66029       8.483509 
1 1 1 -6  18 29 o 13.72024 4.171999  -0.5661316     8.343997 
1 1 1 -6  19 1  o 23.60033 8.134322  ?              ?        
1 1 1 -6  19 2  o 87.81429 5.390613  ?              ?        
1 1 1 -6  19 3  o 178.2188 5.502176  ?              ?        
1 1 1 -6  19 4  o 56.31194 4.320177  4.770580       8.640353 
1 1 1 -6  19 5  o 35.94898 7.709175  ?              ?        
1 1 1 -6  19 6  o 103.2566 5.055755  ?              ?        
1 1 1 -6  19 7  o 111.6632 3.522173  -0.2142258     7.044345 
1 1 1 -6  19 8  o 48.53065 4.483192  -1.033314      8.966385 
1 1 1 -6  19 9  o 24.12393 9.148501  ?              ?        
1 1 1 -6  19 10 x ?        ?         ?              ?        
1 1 1 -6  19 11 o 43.18593 5.900499  18.00888       11.80100 
1 1 1 -6  19 12 o 34.53060 6.660018  -9.322748      13.32004 
1 1 1 -6  19 13 o 91.39018 3.595763  2.265488       7.191525 
1 1 1 -6  19 14 o 20.27851 5.962504  1.001587       11.92501 
1 1 1 -6  19 15 o 121.1157 3.579227  2.184105       7.158454 
1 1 1 -6  19 16 o 125.6194 3.615491  1.390015       7.230982 
1 1 1 -6  19 17 o 52.88554 4.912666  1.516048       9.825332 
1 1 1 -6  19 18 o 33.69762 6.256654  -14.65305      12.51331 
1 1 1 -6  19 19 o 24.61123 6.507263  1.400463       13.01453 
1 1 1 -6  19 20 o 87.67914 4.367784  -16.94747      8.735567 
1 1 1 -6  19 21 o 42.54007 5.435580  -5.722111      10.87116 
1 1 1 -6  19 22 o 29.62771 9.219320  ?              ?        
1 1 1 -6  19 23 o 24.74181 5.081126  -11.37317      10.16225 
1 1 1 -6  19 24 o 37.99976 4.813583  -10.46110      9.627167 
1 1 1 -6  19 25 o 35.63904 5.007894  0.8761635      10.01579 
1 1 1 -6  19 26 f 12.35293 3.955813  0.6517420      7.911627 
1 1 1 -6  19 27 o 23.64249 3.843897  -17.54311      7.687793 
1 1 1 -6  19 28 o 14.56441 4.183222  0.1433840      8.366445 
1 1 1 -6  20 1  o 129.1235 5.253300  ?              ?        
1 1 1 -6  20 2  o 26.19995 8.954144  ?              ?        
1 1 1 -6  20 3  o 75.86584 5.493043  ?              ?        
1 1 1 -6  20 4  o 65.81689 6.262574  ?              ?        
1 1 1 -6  20 5  o 117.3347 5.462951  ?              ?        
1 1 1 -6  20 6  x ?        ?         ?              ?        
1 1 1 -6  20 7  f 68.33293 5.525581  ?              ?        
1 1 1 -6  20 8  o 82.05573 5.620317  ?              ?        
1 1 1 -6  20 9  o 25.17700 8.909789  ?              ?        
1 1 1 -6  20 10 o 77.13271 5.804795  ?              ?        
1 1 1 -6  20 11 o 49.74083 6.012488  3.743900       12.02498 
1 1 1 -6  20 12 o 38.55984 6.363750  -12.82967      12.72750 
1 1 1 -6  20 13 o 39.12597 6.415636  -22.26096      12.83127 
1 1 1 -6  20 14 o 54.77617 4.781696  -5.680744      9.563393 
1 1 1 -6  20 15 o 19.51243 6.073557  4.879301       12.14711 
1 1 1 -6  20 16 o 78.72653 4.092645  5.165031       8.185289 
1 1 1 -6  20 17 o 24.29329 6.579319  2.595016       13.15864 
1 1 1 -6  20 18 o 65.44955 5.195920  -13.92896      10.39184 
1 1 1 -6  20 19 f 37.42123 5.736349  26.12989       11.47270 
1 1 1 -6  20 20 o 17.50390 7.246523  ?              ?        
1 1 1 -6  20 21 f 53.50808 4.156067  -5.073727      8.312134 
1 1 1 -6  20 22 f 21.68038 5.326860  -5.611343      10.65372 
1 1 1 -6  20 23 o 28.94311 5.906943  -1.597702      11.81389 
1 1 1 -6  20 24 o 18.29350 4.566017  -6.702297      9.132034 
1 1 1 -6  20 25 o 14.86145 4.298592  1.378224       8.597183 
1 1 1 -6  20 26 o 16.84978 4.125880  -7.301708      8.251760 
1 1 1 -6  20 27 o 13.23786 3.983230  -2.637189      7.966459 
1 1 1 -6  21 1  o 128.4020 5.325282  ?              ?        
1 1 1 -6  21 2  o 66.27406 6.145016  ?              ?        
1 1 1 -6  21 3  o 101.8548 5.384579  ?              ?        
1 1 1 -6  21 4  o 41.22197 9.233211  ?              ?        
1 1 1 -6  21 5  o 34.36887 9.931664  ?              ?        
1 1 1 -6  21 6  o 99.88457 5.446352  ?              ?        
1 1 1 -6  21 7  o 56.74545 6.449687  ?              ?        
1 1 1 -6  21 8  o 26.78602 9.087113  ?              ?        
1 1 1 -6  21 9  o 63.03062 7.206179  ?              ?        
1 1 1 -6  21 10 o 126.4317 5.815849  ?              ?        
1 1 1 -6  21 11 o 108.2380 5.746069  ?              ?        
1 1 1 -6  21 12 o 26.12602 6.830040  -1.527552      13.66008 
1 1 1 -6  21 13 o 19.59464 6.112705  -5.222073      12.22541 
1 1 1 -6  21 14 o 76.25850 4.227456  -11.45309      8.454912 
1 1 1 -6  21 15 o 35.41409 7.507275  11.80153       15.01455 
1 1 1 -6  21 16 o 65.89439 4.280742  6.639286       8.561484 
1 1 1 -6  21 17 f 55.34844 7.875708  ?              ?        
1 1 1 -6  21 18 o 28.16643 7.743364  ?              ?        
1 1 1 -6  21 19 o 50.12154 4.355091  -0.9472694     8.710182 
1 1 1 -6  21 20 o 45.93744 4.858801  -1.331039      9.717603 
1 1 1 -6  21 21 o 37.90026 4.929997  -0.3690834     9.859994 
1 1 1 -6  21 22 o 24.00896 5.238896  -6.605661      10.47779 
1 1 1 -6  21 23 o 29.90913 4.564502  -10.40666      9.129004 
1 1 1 -6  21 24 o 26.55085 4.599444  -5.356119      9.198889 
1 1 1 -6  21 25 o 19.74112 4.395688  -6.350731      8.791376 
1 1 1 -6  21 26 o 13.27403 4.248661  -3.275762      8.497321 
1 1 1 -6  22 1  o 73.96197 6.111415  ?              ?        
1 1 1 -6  22 2  o 156.7639 5.703518  ?              ?        
1 1 1 -6  22 3  o 167.3379 5.770665  ?              ?        
1 1 1 -6  22 4  f 150.6896 5.653415  ?              ?        
1 1 1 -6  22 5  o 54.38811 7.669871  ?              ?        
1 1 1 -6  22 6  x ?        ?         ?              ?        
1 1 1 -6  22 7  o 83.23199 6.143272  ?              ?        
1 1 1 -6  22 8  f 79.28066 5.667057  ?              ?        
1 1 1 -6  22 9  o 55.13632 7.080697  ?              ?        
1 1 1 -6  22 10 o 44.64957 8.654864  ?              ?        
1 1 1 -6  22 11 o 22.34506 9.250669  ?              ?        
1 1 1 -6  22 12 o 52.83840 7.858390  ?              ?        
1 1 1 -6  22 13 o 127.7283 4.075301  0.4160385      8.150601 
1 1 1 -6  22 14 o 22.09094 6.373475  -8.438368      12.74695 
1 1 1 -6  22 15 o 16.88721 7.250801  ?              ?        
1 1 1 -6  22 16 f 82.33405 3.690081  -1.798477      7.380162 
1 1 1 -6  22 17 o 24.09813 6.357085  -6.032003      12.71417 
1 1 1 -6  22 18 o 56.02249 4.217355  -11.38382      8.434710 
1 1 1 -6  22 19 o 16.98845 4.912095  -3.043161      9.824189 
1 1 1 -6  22 20 o 56.28914 3.898842  -12.46007      7.797683 
1 1 1 -6  22 21 o 16.79336 4.589429  15.71874       9.178858 
1 1 1 -6  22 22 o 16.12384 4.066087  -10.95291      8.132174 
1 1 1 -6  22 23 o 26.98015 4.283769  -9.511177      8.567537 
1 1 1 -6  22 24 o 22.78903 5.286583  -11.36432      10.57317 
1 1 1 -6  22 25 o 27.19382 5.566199  -4.476515      11.13240 
1 1 1 -6  23 1  o 63.93826 4.982026  ?              ?        
1 1 1 -6  23 2  o 100.0996 6.108569  ?              ?        
1 1 1 -6  23 3  o 82.09174 6.150000  ?              ?        
1 1 1 -6  23 4  o 120.6368 5.717011  ?              ?        
1 1 1 -6  23 5  o 108.7031 5.837506  ?              ?        
1 1 1 -6  23 6  x ?        ?         ?              ?        
1 1 1 -6  23 7  x ?        ?         ?              ?        
1 1 1 -6  23 8  o 46.26451 7.201820  ?              ?        
1 1 1 -6  23 9  o 23.15067 9.263944  ?              ?        
1 1 1 -6  23 10 o 93.17519 5.798220  ?              ?        
1 1 1 -6  23 11 o 33.94401 9.292392  ?              ?        
1 1 1 -6  23 12 o 88.42620 6.024949  ?              ?        
1 1 1 -6  23 13 o 23.30032 6.297837  10.31537       12.59567 
1 1 1 -6  23 14 o 56.34933 5.092630  6.977749       10.18526 
1 1 1 -6  23 15 o 63.21432 3.959301  -11.62588      7.918601 
1 1 1 -6  23 16 o 12.23712 4.125268  -0.7896805E-01 8.250537 
1 1 1 -6  23 17 o 29.56221 5.357487  21.54037       10.71497 
1 1 1 -6  23 18 o 13.43769 4.446962  4.098467       8.893925 
1 1 1 -6  23 19 o 19.19691 5.120965  -0.1263790     10.24193 
1 1 1 -6  23 20 o 22.52248 4.846586  -0.1436672     9.693172 
1 1 1 -6  23 21 o 12.85033 3.983988  -2.888850      7.967977 
1 1 1 -6  23 22 o 18.16154 5.109335  0.3625622      10.21867 
1 1 1 -6  23 23 o 19.02812 5.241689  -4.539633      10.48338 
1 1 1 -6  23 24 f 12.25332 5.899780  ?              ?        
1 1 1 -6  24 1  o 69.92467 6.293262  ?              ?        
1 1 1 -6  24 2  o 60.67668 6.544539  ?              ?        
1 1 1 -6  24 3  x ?        ?         ?              ?        
1 1 1 -6  24 4  o 40.84274 9.529083  ?              ?        
1 1 1 -6  24 5  o 27.22715 9.814863  ?              ?        
1 1 1 -6  24 6  x ?        ?         ?              ?        
1 1 1 -6  24 7  x ?        ?         ?              ?        
1 1 1 -6  24 8  x ?        ?         ?              ?        
1 1 1 -6  24 9  o 45.59345 8.540136  ?              ?        
1 1 1 -6  24 10 o 50.92293 7.607539  ?              ?        
1 1 1 -6  24 11 o 68.97903 6.475758  ?              ?        
1 1 1 -6  24 12 o 16.44701 5.357747  4.982326       10.71549 
1 1 1 -6  24 13 o 87.00017 3.988809  0.6169434      7.977618 
1 1 1 -6  24 14 o 43.42948 5.360583  17.08638       10.72117 
1 1 1 -6  24 15 o 23.56676 5.628497  14.70855       11.25699 
1 1 1 -6  24 16 o 26.37639 5.260336  0.9458790      10.52067 
1 1 1 -6  24 17 o 18.31276 4.995615  3.462551       9.991229 
1 1 1 -6  24 18 o 15.73207 4.346800  -7.106250      8.693601 
1 1 1 -6  24 19 o 22.34743 5.447084  3.182249       10.89417 
1 1 1 -6  24 20 o 23.75919 5.699752  -6.238226      11.39950 
1 1 1 -6  24 21 o 20.91706 5.432644  2.139532       10.86529 
1 1 1 -6  24 22 o 15.38621 6.919033  ?              ?        
1 1 1 -6  25 1  o 52.88351 4.866889  ?              ?        
1 1 1 -6  25 2  o 29.43946 7.456615  ?              ?        
1 1 1 -6  25 3  o 77.99574 6.083040  ?              ?        
1 1 1 -6  25 4  o 26.95499 9.465039  ?              ?        
1 1 1 -6  25 5  o 34.85337 8.862898  ?              ?        
1 1 1 -6  25 6  x ?        ?         ?              ?        
1 1 1 -6  25 7  x ?        ?         ?              ?        
1 1 1 -6  25 8  x ?        ?         ?              ?        
1 1 1 -6  25 9  x ?        ?         ?              ?        
1 1 1 -6  25 10 o 18.93497 8.071455  ?              ?        
1 1 1 -6  25 11 o 44.95373 8.251921  ?              ?        
1 1 1 -6  25 12 o 59.71974 6.415478  ?              ?        
1 1 1 -6  25 13 o 38.51554 5.033505  2.089958       10.06701 
1 1 1 -6  25 14 o 12.89628 4.322343  3.976841       8.644686 
1 1 1 -6  25 15 o 21.01955 5.353365  -4.814802      10.70673 
1 1 1 -6  25 16 o 24.22119 5.722638  4.689419       11.44528 
1 1 1 -6  25 17 o 24.99167 5.358894  10.53580       10.71779 
1 1 1 -6  25 18 o 28.61344 5.863717  3.350277       11.72743 
1 1 1 -6  25 19 o 36.57025 8.680079  ?              ?        
1 1 1 -6  25 20 o 11.92661 5.833628  ?              ?        
1 1 1 -6  26 1  o 23.09503 7.468645  ?              ?        
1 1 1 -6  26 2  o 20.12166 7.272380  ?              ?        
1 1 1 -6  26 3  o 55.06793 6.750584  ?              ?        
1 1 1 -6  26 4  o 18.66500 7.720121  ?              ?        
1 1 1 -6  26 5  o 19.38815 8.001011  ?              ?        
1 1 1 -6  26 6  x ?        ?         ?              ?        
1 1 1 -6  26 7  x ?        ?         ?              ?        
1 1 1 -6  26 8  x ?        ?         ?              ?        
1 1 1 -6  26 9  x ?        ?         ?              ?        
1 1 1 -6  26 10 x ?        ?         ?              ?        
1 1 1 -6  26 11 o 47.35843 6.791490  ?              ?        
1 1 1 -6  26 12 o 49.40070 6.078727  ?              ?        
1 1 1 -6  26 13 o 19.19791 7.615457  ?              ?        
1 1 1 -6  26 14 o 28.49997 8.058820  ?              ?        
1 1 1 -6  26 15 o 17.03233 6.984462  ?              ?        
1 1 1 -6  26 16 o 13.39031 6.381869  ?              ?        
1 1 1 -6  26 17 o 12.58604 6.075243  ?              ?        
1 1 1 -6  26 18 x ?        ?         ?              ?        
1 1 1 -6  27 1  o 27.94229 6.117426  ?              ?        
1 1 1 -6  27 2  o 38.45673 4.863952  ?              ?        
1 1 1 -6  27 3  o 13.79320 6.364457  ?              ?        
1 1 1 -6  27 4  o 37.96185 6.277686  ?              ?        
1 1 1 -6  27 5  o 25.62550 7.281212  ?              ?        
1 1 1 -6  27 6  x ?        ?         ?              ?        
1 1 1 -6  27 7  x ?        ?         ?              ?        
1 1 1 -6  27 8  x ?        ?         ?              ?        
1 1 1 -6  27 9  x ?        ?         ?              ?        
1 1 1 -6  27 10 x ?        ?         ?              ?        
1 1 1 -6  27 11 x ?        ?         ?              ?        
1 1 1 -6  27 12 x ?        ?         ?              ?        
1 1 1 -6  27 13 x ?        ?         ?              ?        
1 1 1 -6  27 14 x ?        ?         ?              ?        
1 1 1 -6  27 15 x ?        ?         ?              ?        
1 1 1 -6  27 16 x ?        ?         ?              ?        
1 1 1 -6  28 1  x ?        ?         ?              ?        
1 1 1 -6  28 2  x ?        ?         ?              ?        
1 1 1 -6  28 3  x ?        ?         ?              ?        
1 1 1 -6  28 4  x ?        ?         ?              ?        
1 1 1 -6  28 5  x ?        ?         ?              ?        
1 1 1 -6  28 6  x ?        ?         ?              ?        
1 1 1 -6  28 7  x ?        ?         ?              ?        
1 1 1 -6  28 8  x ?        ?         ?              ?        
1 1 1 -6  28 9  x ?        ?         ?              ?        
1 1 1 -6  28 10 x ?        ?         ?              ?        
1 1 1 -6  28 11 x ?        ?         ?              ?        
1 1 1 -6  28 12 x ?        ?         ?              ?        
1 1 1 -6  28 13 x ?        ?         ?              ?        
1 1 1 -6  29 1  x ?        ?         ?              ?        
1 1 1 -6  29 2  x ?        ?         ?              ?        
1 1 1 -6  29 3  x ?        ?         ?              ?        
1 1 1 -6  29 4  x ?        ?         ?              ?        
1 1 1 -6  29 5  x ?        ?         ?              ?        
1 1 1 -6  29 6  x ?        ?         ?              ?        
1 1 1 -6  29 7  x ?        ?         ?              ?        
1 1 1 -6  29 8  x ?        ?         ?              ?        
1 1 1 -6  29 9  x ?        ?         ?              ?        
1 1 1 -5  0  1  x ?        ?         ?              ?        
1 1 1 -5  0  2  o 99.24540 1.482256  -0.000000      0.000000 
1 1 1 -5  0  3  o 228.7785 3.095357  -0.000000      0.000000 
1 1 1 -5  0  4  o 363.3019 6.874471  -0.000000      0.000000 
1 1 1 -5  0  5  o 136.2947 1.983128  -0.000000      0.000000 
1 1 1 -5  0  6  x ?        ?         ?              ?        
1 1 1 -5  0  7  o 521.8380 6.938367  -0.000000      0.000000 
1 1 1 -5  0  8  f 81.71540 1.461877  -0.000000      0.000000 
1 1 1 -5  0  9  o 64.37982 1.377149  -0.000000      0.000000 
1 1 1 -5  0  10 o 317.3134 4.293323  0.000000       0.000000 
1 1 1 -5  0  11 o 355.4757 4.795629  0.000000       0.000000 
1 1 1 -5  0  12 o 643.8000 8.562192  -0.000000      0.000000 
1 1 1 -5  0  13 o 331.0430 6.433641  -0.000000      0.000000 
1 1 1 -5  0  14 o 157.1966 2.399144  -0.000000      0.000000 
1 1 1 -5  0  15 o 73.65844 1.727883  -0.000000      0.000000 
1 1 1 -5  0  16 x ?        ?         ?              ?        
1 1 1 -5  0  17 o 72.28965 1.929851  -0.000000      0.000000 
1 1 1 -5  0  18 o 36.38325 2.639555  0.000000       0.000000 
1 1 1 -5  0  19 o 95.33943 2.088545  0.000000       0.000000 
1 1 1 -5  0  20 o 206.6602 3.096726  -0.000000      0.000000 
1 1 1 -5  0  21 o 129.0895 2.356122  -0.000000      0.000000 
1 1 1 -5  0  22 o 100.2122 2.290650  -0.000000      0.000000 
1 1 1 -5  0  23 f 130.1637 2.449010  -0.000000      0.000000 
1 1 1 -5  0  24 o 103.4051 2.330047  -0.000000      0.000000 
1 1 1 -5  0  25 o 103.7943 2.364439  -0.000000      0.000000 
1 1 1 -5  0  26 o 43.87400 3.074179  -0.000000      0.000000 
1 1 1 -5  0  27 o 7.562951 5.112992  -0.000000      0.000000 
1 1 1 -5  0  28 o 83.98991 2.687207  -0.000000      0.000000 
1 1 1 -5  0  29 f 34.13306 4.341637  -0.000000      0.000000 
1 1 1 -5  0  30 o 104.2159 2.879209  -0.000000      0.000000 
1 1 1 -5  0  31 o 56.25029 3.549910  -0.000000      0.000000 
1 1 1 -5  0  32 o 77.77727 3.028857  -0.000000      0.000000 
1 1 1 -5  0  33 o 35.19350 4.225798  -0.000000      0.000000 
1 1 1 -5  0  34 o 11.81159 6.825402  -0.000000      0.000000 
1 1 1 -5  0  35 o 22.32076 7.433865  -0.000000      0.000000 
1 1 1 -5  0  36 o 24.18950 6.242145  -0.000000      0.000000 
1 1 1 -5  0  37 o 10.12520 6.256186  -0.000000      0.000000 
1 1 1 -5  1  1  o 271.6866 2.607811  1.127960       5.215621 
1 1 1 -5  1  2  o 296.8227 2.838899  -6.271942      5.677797 
1 1 1 -5  1  3  o 116.1191 1.281125  -7.136421      2.562249 
1 1 1 -5  1  4  o 164.3341 2.031354  1.035568       4.062708 
1 1 1 -5  1  5  o 391.5663 3.712011  1.042023       7.424023 
1 1 1 -5  1  6  x ?        ?         ?              ?        
1 1 1 -5  1  7  o 84.82935 1.119168  -5.139214      2.238337 
1 1 1 -5  1  8  o 148.5292 1.563830  -2.326340      3.127659 
1 1 1 -5  1  9  o 259.7223 2.527682  2.940002       5.055365 
1 1 1 -5  1  10 o 126.6404 1.423541  3.859421       2.847082 
1 1 1 -5  1  11 o 46.57919 1.116536  6.275475       2.233073 
1 1 1 -5  1  12 o 176.7321 1.835275  4.035858       3.670551 
1 1 1 -5  1  13 o 511.2070 6.876078  -6.085663      13.75216 
1 1 1 -5  1  14 f 63.59346 1.221191  5.188267       2.442382 
1 1 1 -5  1  15 o 78.03520 1.278052  -1.830849      2.556103 
1 1 1 -5  1  16 x ?        ?         ?              ?        
1 1 1 -5  1  17 o 274.4911 2.727995  -1.071960      5.455989 
1 1 1 -5  1  18 o 245.5418 2.485870  -1.404617      4.971739 
1 1 1 -5  1  19 o 15.00343 3.272674  11.76497       6.545348 
1 1 1 -5  1  20 o 20.44312 3.168619  5.195734       6.337238 
1 1 1 -5  1  21 o 136.3632 1.708270  -6.034119      3.416540 
1 1 1 -5  1  22 o 243.2476 3.132075  6.184845       6.264149 
1 1 1 -5  1  23 o 141.4098 1.791972  2.316177       3.583943 
1 1 1 -5  1  24 f 78.15567 1.856508  -2.991615      3.713015 
1 1 1 -5  1  25 o 71.54628 1.709351  10.17606       3.418702 
1 1 1 -5  1  26 o 59.12300 1.838731  0.5897331      3.677461 
1 1 1 -5  1  27 o 131.2760 1.904761  2.905304       3.809523 
1 1 1 -5  1  28 o 110.9365 1.925769  0.2084885      3.851538 
1 1 1 -5  1  29 o 91.37364 1.968341  4.439117       3.936682 
1 1 1 -5  1  30 o 39.71194 2.942044  -5.531361      5.884089 
1 1 1 -5  1  31 o 88.45045 2.910692  -2.034286      5.821384 
1 1 1 -5  1  32 f 104.7955 2.141341  2.792183       4.282681 
1 1 1 -5  1  33 o 37.27171 2.968369  -1.505920      5.936739 
1 1 1 -5  1  34 o 22.91769 4.220257  3.234074       8.440514 
1 1 1 -5  1  35 o 17.09750 4.189983  -3.108267      8.379966 
1 1 1 -5  1  36 o 28.05471 3.582255  -10.08728      7.164510 
1 1 1 -5  1  37 o 11.41760 3.627066  -2.231097      7.254133 
1 1 1 -5  2  1  o 469.6210 4.447641  -5.434814      8.895282 
1 1 1 -5  2  2  o 45.37752 1.102924  -3.842388      2.205847 
1 1 1 -5  2  3  o 312.0254 4.271925  -6.176453      8.543850 
1 1 1 -5  2  4  o 412.2965 3.930783  -2.755615      7.861566 
1 1 1 -5  2  5  f 303.7694 2.958030  -3.519470      5.916060 
1 1 1 -5  2  6  o 98.49792 1.891777  -5.040802      3.783553 
1 1 1 -5  2  7  o 185.7084 2.791825  ?              ?        
1 1 1 -5  2  8  o 58.27835 1.773491  ?              ?        
1 1 1 -5  2  9  o 26.96444 1.526694  -2.135351      3.053387 
1 1 1 -5  2  10 o 84.22314 1.244271  6.039459       2.488543 
1 1 1 -5  2  11 o 244.3628 2.439212  -7.768539      4.878424 
1 1 1 -5  2  12 o 339.1761 3.280472  -1.733368      6.560944 
1 1 1 -5  2  13 o 129.5686 2.189687  -5.018661      4.379373 
1 1 1 -5  2  14 f 200.8754 2.085561  -0.1435852E-01 4.171121 
1 1 1 -5  2  15 o 105.3636 1.717721  -1.915298      3.435442 
1 1 1 -5  2  16 o 93.77952 1.844166  ?              ?        
1 1 1 -5  2  17 o 200.9181 2.132681  -9.208847      4.265362 
1 1 1 -5  2  18 o 159.9640 1.835996  -3.171310      3.671993 
1 1 1 -5  2  19 o 53.57919 1.719953  1.163143       3.439906 
1 1 1 -5  2  20 o 111.4648 1.570863  0.7357712      3.141725 
1 1 1 -5  2  21 f 144.7809 1.778294  2.340607       3.556587 
1 1 1 -5  2  22 o 126.1502 2.617830  8.634468       5.235660 
1 1 1 -5  2  23 o 51.81487 1.753723  -3.346348      3.507447 
1 1 1 -5  2  24 o 91.47736 1.960645  0.6913300      3.921290 
1 1 1 -5  2  25 o 137.7836 1.875805  -0.6438293     3.751610 
1 1 1 -5  2  26 o 46.06110 2.071416  1.749245       4.142833 
1 1 1 -5  2  27 o 130.9723 1.929485  3.474869       3.858970 
1 1 1 -5  2  28 o 75.59689 1.999495  -1.090202      3.998990 
1 1 1 -5  2  29 o 29.05009 3.896908  -16.80682      7.793816 
1 1 1 -5  2  30 o 70.46909 2.946365  -3.904488      5.892730 
1 1 1 -5  2  31 f 86.92075 2.153737  -8.258751      4.307473 
1 1 1 -5  2  32 o 26.15192 4.459817  -5.692419      8.919634 
1 1 1 -5  2  33 o 88.15376 2.122954  -0.7697906     4.245908 
1 1 1 -5  2  34 o 18.72160 4.351196  -5.121374      8.702392 
1 1 1 -5  2  35 o 26.94073 3.959376  8.085772       7.918752 
1 1 1 -5  2  36 o 22.72427 4.048669  -10.88961      8.097338 
1 1 1 -5  2  37 o 22.32439 4.260190  -7.489954      8.520379 
1 1 1 -5  3  1  o 640.9834 7.425014  0.1684570      14.85003 
1 1 1 -5  3  2  o 445.2950 6.022091  5.363586       12.04418 
1 1 1 -5  3  3  o 25.52433 1.660366  -2.461897      3.320732 
1 1 1 -5  3  4  o 261.3305 2.623252  -11.67804      5.246503 
1 1 1 -5  3  5  o 45.92595 2.508126  ?              ?        
1 1 1 -5  3  6  o 225.7695 3.274825  1.950409       6.549650 
1 1 1 -5  3  7  o 301.9319 3.706554  -11.54410      7.413107 
1 1 1 -5  3  8  o 43.98262 1.395197  -4.066120      2.790394 
1 1 1 -5  3  9  o 235.5349 2.417878  -12.49274      4.835756 
1 1 1 -5  3  10 o 188.9491 2.039040  -5.594452      4.078080 
1 1 1 -5  3  11 o 149.0166 1.739845  -6.993362      3.479689 
1 1 1 -5  3  12 o 313.0610 3.769025  -5.285889      7.538050 
1 1 1 -5  3  13 o 60.85731 1.914770  -0.2730217     3.829539 
1 1 1 -5  3  14 o 101.6785 1.478917  0.6231689      2.957834 
1 1 1 -5  3  15 o 212.0763 3.174763  -2.216614      6.349527 
1 1 1 -5  3  16 o 57.40047 1.707436  -6.303165      3.414873 
1 1 1 -5  3  17 o 249.1122 3.751420  ?              ?        
1 1 1 -5  3  18 o 45.62923 2.101820  -9.806561      4.203641 
1 1 1 -5  3  19 o 88.83479 1.592321  3.045639       3.184641 
1 1 1 -5  3  20 o 112.8557 1.659806  7.418793       3.319612 
1 1 1 -5  3  21 o 96.07344 1.612839  -0.8515167E-01 3.225678 
1 1 1 -5  3  22 o 131.1967 2.639699  -8.155151      5.279397 
1 1 1 -5  3  23 o 127.3776 1.771681  9.800072       3.543362 
1 1 1 -5  3  24 o 26.78316 3.568535  4.212252       7.137070 
1 1 1 -5  3  25 f 106.4747 1.783337  4.047806       3.566675 
1 1 1 -5  3  26 o 48.97666 2.158404  -0.6254997     4.316808 
1 1 1 -5  3  27 o 70.17020 2.015135  1.316666       4.030270 
1 1 1 -5  3  28 o 72.43228 2.091828  -2.924934      4.183656 
1 1 1 -5  3  29 o 76.64476 2.136004  -1.668465      4.272008 
1 1 1 -5  3  30 o 18.10518 4.817694  -10.61239      9.635388 
1 1 1 -5  3  31 o 51.67075 2.717805  -11.40131      5.435611 
1 1 1 -5  3  32 f 67.07426 3.252189  -4.831932      6.504378 
1 1 1 -5  3  33 o 29.51488 3.726498  -14.70975      7.452996 
1 1 1 -5  3  34 o 17.95148 3.806390  -14.18400      7.612779 
1 1 1 -5  3  35 o 12.64270 3.826258  3.424131       7.652516 
1 1 1 -5  3  36 o 29.31299 3.583946  -5.221977      7.167892 
1 1 1 -5  4  1  f 272.3445 3.305245  -3.059021      6.610491 
1 1 1 -5  4  2  f 116.2699 1.811922  -4.960983      3.623844 
1 1 1 -5  4  3  o 355.7707 6.917732  ?              ?        
1 1 1 -5  4  4  o 218.7281 2.873707  4.843582       5.747414 
1 1 1 -5  4  5  o 332.9762 4.060342  6.130859       8.120684 
1 1 1 -5  4  6  o 261.6447 3.782856  13.16846       7.565711 
1 1 1 -5  4  7  o 91.66092 1.790290  1.888535       3.580581 
1 1 1 -5  4  8  o 69.83937 1.965160  ?              ?        
1 1 1 -5  4  9  o 110.2096 1.570792  1.817696       3.141584 
1 1 1 -5  4  10 o 300.5327 3.017904  1.100861       6.035807 
1 1 1 -5  4  11 o 182.7470 2.049747  -1.314041      4.099493 
1 1 1 -5  4  12 o 166.5541 2.729660  2.164124       5.459320 
1 1 1 -5  4  13 o 239.0395 2.502055  -2.477478      5.004110 
1 1 1 -5  4  14 o 127.6707 2.097737  -4.479538      4.195475 
1 1 1 -5  4  15 o 205.9949 2.272345  -8.671692      4.544689 
1 1 1 -5  4  16 o 70.57697 1.786031  -4.226540      3.572062 
1 1 1 -5  4  17 f 146.0995 1.874379  6.806915       3.748757 
1 1 1 -5  4  18 o 174.0632 2.055858  -4.033875      4.111717 
1 1 1 -5  4  19 o 120.7721 1.774564  1.188309       3.549129 
1 1 1 -5  4  20 o 60.82378 1.871598  -4.280308      3.743196 
1 1 1 -5  4  21 o 39.10738 2.456234  -7.232086      4.912467 
1 1 1 -5  4  22 o 66.22035 2.413187  4.153313       4.826375 
1 1 1 -5  4  23 o 137.8200 2.307447  -7.979507      4.614894 
1 1 1 -5  4  24 o 57.60336 2.261198  -1.378830      4.522396 
1 1 1 -5  4  25 o 60.69524 1.950467  1.972225       3.900935 
1 1 1 -5  4  26 f 67.07440 1.996424  3.553291       3.992849 
1 1 1 -5  4  27 o 57.48168 2.262841  2.209969       4.525682 
1 1 1 -5  4  28 o 96.73276 2.022459  4.924660       4.044919 
1 1 1 -5  4  29 o 94.28214 2.143056  -1.817909      4.286111 
1 1 1 -5  4  30 o 25.49125 4.874619  -8.078003      9.749239 
1 1 1 -5  4  31 o 28.35001 4.034546  -2.790926      8.069092 
1 1 1 -5  4  32 o 31.79101 4.920092  17.24940       9.840183 
1 1 1 -5  4  33 o 83.82729 3.364320  ?              ?        
1 1 1 -5  4  34 o 10.62307 3.535472  -0.8871889     7.070945 
1 1 1 -5  4  35 o 46.97162 3.691492  ?              ?        
1 1 1 -5  4  36 o 12.42577 3.834569  -3.476856      7.669138 
1 1 1 -5  5  1  o 48.37071 1.857102  -4.711514      3.714205 
1 1 1 -5  5  2  o 65.69733 2.674443  ?              ?        
1 1 1 -5  5  3  o 236.8563 2.916427  -23.46614      5.832853 
1 1 1 -5  5  4  o 157.3108 2.273868  -2.761703      4.547737 
1 1 1 -5  5  5  o 100.5555 1.900939  -1.250069      3.801878 
1 1 1 -5  5  6  o 126.3480 2.431813  -8.187553      4.863625 
1 1 1 -5  5  7  o 136.7059 2.169224  2.295029       4.338449 
1 1 1 -5  5  8  o 233.3169 2.493496  -6.252853      4.986991 
1 1 1 -5  5  9  f 188.3505 2.147280  -5.854141      4.294559 
1 1 1 -5  5  10 o 101.3061 1.666943  1.762207       3.333886 
1 1 1 -5  5  11 o 176.1816 2.889825  -1.277283      5.779649 
1 1 1 -5  5  12 o 93.36330 2.176464  ?              ?        
1 1 1 -5  5  13 o 127.8256 2.263934  6.081207       4.527867 
1 1 1 -5  5  14 o 112.3475 2.205620  -4.997948      4.411240 
1 1 1 -5  5  15 o 65.35753 1.873893  1.456520       3.747786 
1 1 1 -5  5  16 o 250.6507 2.671641  2.294586       5.343282 
1 1 1 -5  5  17 o 95.49196 1.824236  2.540382       3.648473 
1 1 1 -5  5  18 o 75.61380 2.097684  ?              ?        
1 1 1 -5  5  19 o 200.2474 2.300169  2.115936       4.600338 
1 1 1 -5  5  20 o 126.3346 1.865916  3.199837       3.731832 
1 1 1 -5  5  21 o 37.71718 3.141971  5.016228       6.283942 
1 1 1 -5  5  22 o 65.66972 1.900551  5.654202       3.801102 
1 1 1 -5  5  23 f 38.85820 3.150100  -1.572556      6.300200 
1 1 1 -5  5  24 o 30.32560 3.071262  4.037760       6.142525 
1 1 1 -5  5  25 o 66.59418 2.048687  7.203674       4.097373 
1 1 1 -5  5  26 f 87.68753 2.024556  4.722832       4.049112 
1 1 1 -5  5  27 o 51.25195 2.850191  -16.46574      5.700382 
1 1 1 -5  5  28 o 57.04312 2.571522  7.424938       5.143044 
1 1 1 -5  5  29 o 19.57501 5.174047  -0.3380604     10.34809 
1 1 1 -5  5  30 o 70.57841 3.437339  -19.79611      6.874677 
1 1 1 -5  5  31 o 24.84947 4.866073  -2.228643      9.732145 
1 1 1 -5  5  32 o 55.83207 3.556156  -11.25411      7.112312 
1 1 1 -5  5  33 o 16.94673 3.752167  -14.34438      7.504334 
1 1 1 -5  5  34 o 38.51128 4.497426  ?              ?        
1 1 1 -5  5  35 o 25.57679 3.848945  -20.19196      7.697889 
1 1 1 -5  5  36 o 32.26826 3.566107  -12.18442      7.132214 
1 1 1 -5  6  1  o 281.5353 4.024319  6.455627       8.048637 
1 1 1 -5  6  2  o 164.9544 2.695790  -6.157455      5.391581 
1 1 1 -5  6  3  o 156.4941 2.656562  -9.361267      5.313125 
1 1 1 -5  6  4  o 146.8080 2.231890  -7.464203      4.463779 
1 1 1 -5  6  5  o 11.72924 3.268627  10.12473       6.537254 
1 1 1 -5  6  6  o 19.58630 4.067691  5.554626       8.135382 
1 1 1 -5  6  7  o 163.6964 2.487138  3.789108       4.974275 
1 1 1 -5  6  8  o 63.91159 2.378844  ?              ?        
1 1 1 -5  6  9  o 199.3470 2.294173  -3.245132      4.588346 
1 1 1 -5  6  10 o 283.9033 4.161566  -8.518250      8.323132 
1 1 1 -5  6  11 o 343.0676 3.458674  -1.892670      6.917348 
1 1 1 -5  6  12 o 174.6319 2.644661  -10.64711      5.289322 
1 1 1 -5  6  13 o 216.9263 3.015707  -1.324066      6.031414 
1 1 1 -5  6  14 o 118.9458 1.898227  -5.205147      3.796455 
1 1 1 -5  6  15 o 134.5040 1.994413  2.132477       3.988827 
1 1 1 -5  6  16 o 23.02663 4.001286  -7.728258      8.002572 
1 1 1 -5  6  17 o 53.29900 2.410141  -3.775982      4.820282 
1 1 1 -5  6  18 o 111.0489 1.937070  -3.693344      3.874140 
1 1 1 -5  6  19 o 52.56440 2.166005  -0.5737419     4.332010 
1 1 1 -5  6  20 o 92.71272 2.098395  -0.5433807     4.196790 
1 1 1 -5  6  21 o 55.80306 2.135627  -4.949856      4.271254 
1 1 1 -5  6  22 o 63.06831 2.584866  -8.591999      5.169732 
1 1 1 -5  6  23 o 185.9366 2.784904  2.805252       5.569808 
1 1 1 -5  6  24 o 31.83017 3.504083  -12.19880      7.008165 
1 1 1 -5  6  25 o 33.37109 3.122882  9.024233       6.245764 
1 1 1 -5  6  26 o 135.9881 2.132636  -0.2497711     4.265273 
1 1 1 -5  6  27 o 51.94167 2.631396  -7.145008      5.262793 
1 1 1 -5  6  28 o 45.41839 3.058095  -3.503307      6.116189 
1 1 1 -5  6  29 o 27.03804 4.228900  -15.61503      8.457801 
1 1 1 -5  6  30 o 83.74277 2.400028  -15.49281      4.800056 
1 1 1 -5  6  31 o 52.48676 2.927319  -10.01058      5.854639 
1 1 1 -5  6  32 o 32.79037 3.932614  -9.923504      7.865227 
1 1 1 -5  6  33 o 53.01640 3.750235  ?              ?        
1 1 1 -5  6  34 o 20.48325 4.683719  -0.9922924     9.367437 
1 1 1 -5  6  35 o 34.58074 3.592354  -18.62472      7.184708 
1 1 1 -5  6  36 o 22.96308 4.688988  6.927004       9.377976 
1 1 1 -5  7  1  o 190.2495 3.011212  -4.814468      6.022424 
1 1 1 -5  7  2  o 120.7057 2.370794  2.093063       4.741588 
1 1 1 -5  7  3  o 340.6207 4.812578  -3.756134      9.625156 
1 1 1 -5  7  4  o 208.2272 3.258000  -0.3570557     6.516001 
1 1 1 -5  7  5  o 128.5138 2.222952  2.560478       4.445903 
1 1 1 -5  7  6  o 62.05367 2.542479  -5.638264      5.084958 
1 1 1 -5  7  7  o 110.4747 2.580963  -6.216324      5.161926 
1 1 1 -5  7  8  o 391.8109 5.524103  4.205444       11.04821 
1 1 1 -5  7  9  o 156.5020 2.513518  -0.3751373     5.027037 
1 1 1 -5  7  10 o 145.8426 2.039352  3.842331       4.078703 
1 1 1 -5  7  11 o 313.6947 4.022011  -5.015198      8.044022 
1 1 1 -5  7  12 o 365.3348 4.508368  1.733612       9.016737 
1 1 1 -5  7  13 o 54.17245 2.384534  8.249447       4.769068 
1 1 1 -5  7  14 f 132.5481 2.076713  4.077011       4.153426 
1 1 1 -5  7  15 o 204.0269 2.445064  -0.6049042     4.890129 
1 1 1 -5  7  16 o 248.9298 2.780543  -7.354599      5.561087 
1 1 1 -5  7  17 o 220.8227 2.575236  4.990356       5.150472 
1 1 1 -5  7  18 o 145.4027 2.096615  -0.2048645     4.193229 
1 1 1 -5  7  19 o 105.1418 2.237280  -1.175224      4.474559 
1 1 1 -5  7  20 f 37.46622 4.154459  -7.246914      8.308917 
1 1 1 -5  7  21 o 89.60930 2.619351  6.991158       5.238702 
1 1 1 -5  7  22 o 82.55745 2.422601  2.069313       4.845201 
1 1 1 -5  7  23 o 112.5112 2.005823  4.945076       4.011646 
1 1 1 -5  7  24 o 95.02763 2.046440  3.118759       4.092880 
1 1 1 -5  7  25 o 68.38894 2.300362  -0.5172882     4.600724 
1 1 1 -5  7  26 o 69.68458 2.426436  -7.346054      4.852872 
1 1 1 -5  7  27 o 125.5404 2.269179  -8.023636      4.538358 
1 1 1 -5  7  28 o 75.58528 2.743603  -7.370537      5.487207 
1 1 1 -5  7  29 o 45.95568 4.462714  -2.607227      8.925427 
1 1 1 -5  7  30 o 36.12323 4.864343  -25.55644      9.728685 
1 1 1 -5  7  31 o 32.53954 4.264826  -2.700161      8.529653 
1 1 1 -5  7  32 o 64.27223 2.459602  -22.51579      4.919203 
1 1 1 -5  7  33 x ?        ?         ?              ?        
1 1 1 -5  7  34 o 24.66024 4.314959  -11.70249      8.629918 
1 1 1 -5  7  35 o 17.79010 4.597229  0.2043743      9.194458 
1 1 1 -5  7  36 o 19.22511 4.264266  -17.00525      8.528531 
1 1 1 -5  8  1  o 330.6688 4.702175  -6.050568      9.404349 
1 1 1 -5  8  2  o 364.0972 5.125257  -5.851318      10.25051 
1 1 1 -5  8  3  o 318.1229 4.568052  9.829010       9.136105 
1 1 1 -5  8  4  o 51.40977 2.468067  2.641262       4.936133 
1 1 1 -5  8  5  o 248.7218 3.794149  -8.253662      7.588297 
1 1 1 -5  8  6  o 275.3833 4.195328  24.18582       8.390656 
1 1 1 -5  8  7  o 228.9184 3.679913  -2.811768      7.359825 
1 1 1 -5  8  8  f 280.7417 3.629970  -5.816772      7.259940 
1 1 1 -5  8  9  o 136.7088 2.832105  ?              ?        
1 1 1 -5  8  10 o 342.1252 5.005794  22.77908       10.01159 
1 1 1 -5  8  11 o 109.3886 2.442206  -0.3927612E-01 4.884411 
1 1 1 -5  8  12 o 365.9282 3.732162  4.036499       7.464324 
1 1 1 -5  8  13 o 73.94415 2.291198  2.795837       4.582397 
1 1 1 -5  8  14 o 309.5983 3.300116  14.46555       6.600231 
1 1 1 -5  8  15 o 134.8637 2.715929  -0.9263306     5.431859 
1 1 1 -5  8  16 o 161.5546 2.304735  4.944916       4.609471 
1 1 1 -5  8  17 o 55.44603 2.588397  0.5508537      5.176795 
1 1 1 -5  8  18 o 77.57162 2.482350  0.4280472      4.964700 
1 1 1 -5  8  19 o 126.7195 2.642664  -7.185661      5.285327 
1 1 1 -5  8  20 o 60.08612 3.129573  -3.029400      6.259147 
1 1 1 -5  8  21 o 91.44591 2.583417  -0.5344391     5.166833 
1 1 1 -5  8  22 o 112.8030 2.092956  6.443634       4.185912 
1 1 1 -5  8  23 o 87.15996 2.134654  5.347588       4.269307 
1 1 1 -5  8  24 o 88.22800 2.212988  -9.102760      4.425976 
1 1 1 -5  8  25 o 98.49548 2.373477  ?              ?        
1 1 1 -5  8  26 o 109.6079 2.402173  ?              ?        
1 1 1 -5  8  27 o 13.48605 4.285354  2.004008       8.570707 
1 1 1 -5  8  28 o 54.89482 4.855608  -12.69598      9.711216 
1 1 1 -5  8  29 o 60.81757 4.014595  -12.37364      8.029189 
1 1 1 -5  8  30 o 60.79577 3.046411  -0.8275604     6.092822 
1 1 1 -5  8  31 o 68.45385 2.470945  -12.81125      4.941889 
1 1 1 -5  8  32 o 46.95550 2.776537  -13.81425      5.553074 
1 1 1 -5  8  33 o 27.73938 3.850674  -13.49129      7.701349 
1 1 1 -5  8  34 o 33.40610 3.778327  -26.69474      7.556654 
1 1 1 -5  8  35 o 22.60763 5.061117  -21.25434      10.12223 
1 1 1 -5  9  1  o 258.4362 3.894016  -8.873352      7.788031 
1 1 1 -5  9  2  o 142.6543 2.718077  9.770523       5.436155 
1 1 1 -5  9  3  o 200.8647 4.659361  ?              ?        
1 1 1 -5  9  4  o 106.5104 3.636793  ?              ?        
1 1 1 -5  9  5  o 285.6631 4.258018  2.535614       8.516035 
1 1 1 -5  9  6  o 109.5317 2.670161  2.400253       5.340322 
1 1 1 -5  9  7  o 180.1279 4.957918  ?              ?        
1 1 1 -5  9  8  o 356.0239 7.277012  ?              ?        
1 1 1 -5  9  9  o 427.2134 5.234608  -0.1682434     10.46922 
1 1 1 -5  9  10 o 195.8155 3.030316  7.376175       6.060632 
1 1 1 -5  9  11 o 325.6063 4.231701  9.591339       8.463402 
1 1 1 -5  9  12 f 149.8359 2.719305  -8.993088      5.438610 
1 1 1 -5  9  13 o 61.53993 3.264801  10.43328       6.529602 
1 1 1 -5  9  14 o 77.56197 2.932889  3.196426       5.865777 
1 1 1 -5  9  15 o 255.3399 4.105278  0.3805084      8.210557 
1 1 1 -5  9  16 o 108.8730 2.258666  -3.080414      4.517331 
1 1 1 -5  9  17 o 148.4568 2.704655  -8.180969      5.409310 
1 1 1 -5  9  18 o 59.47603 3.284481  -4.372837      6.568963 
1 1 1 -5  9  19 o 14.06986 4.519441  4.750148       9.038881 
1 1 1 -5  9  20 o 73.75970 2.806934  -3.096176      5.613868 
1 1 1 -5  9  21 o 44.66338 2.763161  6.746529       5.526322 
1 1 1 -5  9  22 o 72.89140 2.331930  -4.449219      4.663861 
1 1 1 -5  9  23 o 44.63538 2.992770  -0.8747101E-02 5.985540 
1 1 1 -5  9  24 o 66.38548 2.519956  0.9285049      5.039912 
1 1 1 -5  9  25 o 83.65485 2.404741  2.837639       4.809483 
1 1 1 -5  9  26 o 82.71179 2.700948  -5.905739      5.401896 
1 1 1 -5  9  27 o 70.42989 2.776080  -10.03693      5.552161 
1 1 1 -5  9  28 f 64.58854 3.935114  -13.60412      7.870228 
1 1 1 -5  9  29 o 42.36763 3.463898  -4.713627      6.927797 
1 1 1 -5  9  30 o 44.06931 3.068383  -2.469151      6.136766 
1 1 1 -5  9  31 o 75.94014 2.393329  -22.52744      4.786657 
1 1 1 -5  9  32 o 18.89257 4.584753  -0.6349678     9.169506 
1 1 1 -5  9  33 o 59.29856 2.534874  -29.52987      5.069748 
1 1 1 -5  9  34 o 14.70884 4.678979  -4.021186      9.357958 
1 1 1 -5  9  35 o 27.08591 3.723342  -28.52386      7.446684 
1 1 1 -5  10 1  o 199.8651 3.299317  -8.107483      6.598634 
1 1 1 -5  10 2  o 299.9784 4.426657  -3.132813      8.853313 
1 1 1 -5  10 3  o 428.7424 6.016759  -1.708252      12.03352 
1 1 1 -5  10 4  o 382.5645 5.448833  2.074280       10.89767 
1 1 1 -5  10 5  o 128.6330 4.020674  ?              ?        
1 1 1 -5  10 6  o 454.4225 6.367884  7.764099       12.73577 
1 1 1 -5  10 7  o 164.7074 4.481241  ?              ?        
1 1 1 -5  10 8  o 407.0587 5.054736  2.296021       10.10947 
1 1 1 -5  10 9  o 88.23365 2.741063  20.91638       5.482127 
1 1 1 -5  10 10 o 201.6517 3.101393  1.658615       6.202785 
1 1 1 -5  10 11 o 243.4099 3.446311  -6.898346      6.892622 
1 1 1 -5  10 12 o 119.6820 2.861682  -4.019470      5.723365 
1 1 1 -5  10 13 o 200.4747 3.165571  -5.069244      6.331141 
1 1 1 -5  10 14 o 94.72322 2.992417  -6.832115      5.984834 
1 1 1 -5  10 15 o 90.59074 5.129722  ?              ?        
1 1 1 -5  10 16 o 249.2735 3.630592  8.659424       7.261183 
1 1 1 -5  10 17 o 123.2111 2.795565  3.186913       5.591130 
1 1 1 -5  10 18 o 175.5949 3.165547  -14.94746      6.331093 
1 1 1 -5  10 19 o 70.63767 2.990393  12.95541       5.980786 
1 1 1 -5  10 20 o 74.61488 2.399696  0.6967926      4.799391 
1 1 1 -5  10 21 o 65.12484 2.582321  -6.214462      5.164642 
1 1 1 -5  10 22 o 39.17935 3.469515  3.318829       6.939030 
1 1 1 -5  10 23 o 35.70428 3.679608  12.25774       7.359215 
1 1 1 -5  10 24 o 42.15869 3.993176  -6.702942      7.986352 
1 1 1 -5  10 25 f 22.62057 5.214045  0.1948605      10.42809 
1 1 1 -5  10 26 o 15.87197 4.792050  4.787186       9.584101 
1 1 1 -5  10 27 o 34.38054 6.041839  -0.9978142     12.08368 
1 1 1 -5  10 28 o 51.00238 3.357583  -0.5774460     6.715166 
1 1 1 -5  10 29 f 71.89661 3.215189  -20.07481      6.430378 
1 1 1 -5  10 30 f 38.48227 3.351466  -5.876724      6.702932 
1 1 1 -5  10 31 o 22.97784 4.350906  -23.41496      8.701813 
1 1 1 -5  10 32 o 22.83337 3.449015  -24.75029      6.898029 
1 1 1 -5  10 33 o 34.16964 4.095098  -15.18560      8.190196 
1 1 1 -5  10 34 o 15.30310 4.583350  -1.700580      9.166699 
1 1 1 -5  10 35 o 18.47253 7.482626  ?              ?        
1 1 1 -5  11 1  o 120.9590 3.903672  ?              ?        
1 1 1 -5  11 2  o 192.4102 4.702154  ?              ?        
1 1 1 -5  11 3  o 224.9136 3.669569  -3.446945      7.339139 
1 1 1 -5  11 4  o 190.4821 3.337306  2.939774       6.674613 
1 1 1 -5  11 5  o 314.9860 4.698853  15.08911       9.397706 
1 1 1 -5  11 6  o 193.0571 3.445776  -1.694626      6.891552 
1 1 1 -5  11 7  o 126.6772 4.307725  ?              ?        
1 1 1 -5  11 8  o 92.34961 3.205828  7.226494       6.411657 
1 1 1 -5  11 9  o 190.9281 3.107782  4.164246       6.215564 
1 1 1 -5  11 10 o 139.5167 2.875526  1.038467       5.751053 
1 1 1 -5  11 11 o 55.47098 3.808410  10.02142       7.616819 
1 1 1 -5  11 12 o 222.5594 3.364614  -6.170822      6.729228 
1 1 1 -5  11 13 o 36.01942 6.166925  -8.645042      12.33385 
1 1 1 -5  11 14 o 160.2614 3.023493  -6.294052      6.046986 
1 1 1 -5  11 15 o 173.4435 3.115684  11.41876       6.231369 
1 1 1 -5  11 16 o 43.97077 3.981799  ?              ?        
1 1 1 -5  11 17 o 27.98302 5.789758  2.162481       11.57952 
1 1 1 -5  11 18 o 23.59104 5.539916  -6.904892      11.07983 
1 1 1 -5  11 19 o 99.41908 2.886925  -4.815804      5.773850 
1 1 1 -5  11 20 o 31.74722 4.881555  -11.09694      9.763109 
1 1 1 -5  11 21 o 83.01188 2.979284  16.74228       5.958568 
1 1 1 -5  11 22 o 104.5400 2.975731  -1.703545      5.951463 
1 1 1 -5  11 23 o 66.97388 2.889557  -5.666351      5.779114 
1 1 1 -5  11 24 o 105.0930 2.768273  -0.8792038     5.536545 
1 1 1 -5  11 25 o 73.52403 2.890182  -4.781792      5.780364 
1 1 1 -5  11 26 o 24.33469 4.812885  -13.11113      9.625770 
1 1 1 -5  11 27 o 33.74222 4.604575  -4.493282      9.209149 
1 1 1 -5  11 28 o 70.52827 3.431868  -3.691002      6.863737 
1 1 1 -5  11 29 o 52.81578 2.802207  -5.282181      5.604413 
1 1 1 -5  11 30 o 23.98302 4.478394  2.458683       8.956788 
1 1 1 -5  11 31 o 21.34009 5.177591  -10.22924      10.35518 
1 1 1 -5  11 32 o 12.84067 4.038195  5.397442       8.076390 
1 1 1 -5  11 33 o 16.84187 4.136281  -14.70597      8.272563 
1 1 1 -5  11 34 o 15.25978 6.626311  ?              ?        
1 1 1 -5  12 1  o 99.37001 2.807323  -3.911827      5.614647 
1 1 1 -5  12 2  o 359.9488 5.219769  2.208984       10.43954 
1 1 1 -5  12 3  o 282.3345 4.329226  -1.979675      8.658451 
1 1 1 -5  12 4  o 342.6162 5.057966  7.914063       10.11593 
1 1 1 -5  12 5  o 118.9727 3.033772  2.072121       6.067544 
1 1 1 -5  12 6  o 120.6261 3.145960  9.195862       6.291921 
1 1 1 -5  12 7  o 107.0113 4.616437  ?              ?        
1 1 1 -5  12 8  o 79.27228 3.624687  2.090744       7.249375 
1 1 1 -5  12 9  o 290.6979 4.537742  -0.4700928     9.075484 
1 1 1 -5  12 10 f 124.0254 2.946253  4.115044       5.892506 
1 1 1 -5  12 11 o 213.8996 3.957511  2.067795       7.915021 
1 1 1 -5  12 12 o 61.94242 4.300405  0.3898201      8.600809 
1 1 1 -5  12 13 o 94.55843 3.090720  -4.872681      6.181441 
1 1 1 -5  12 14 o 93.54182 3.354970  ?              ?        
1 1 1 -5  12 15 o 226.8770 3.767744  26.21155       7.535488 
1 1 1 -5  12 16 o 83.34341 3.452056  -1.073555      6.904112 
1 1 1 -5  12 17 o 23.87578 5.407588  0.1826782      10.81518 
1 1 1 -5  12 18 o 57.71122 3.340620  15.86818       6.681241 
1 1 1 -5  12 19 o 133.5804 3.011554  0.8219757      6.023108 
1 1 1 -5  12 20 o 223.4993 3.555520  2.628860       7.111039 
1 1 1 -5  12 21 o 47.73170 4.037948  -4.858822      8.075896 
1 1 1 -5  12 22 o 42.83738 4.952523  -10.78127      9.905046 
1 1 1 -5  12 23 o 141.7788 3.509937  10.43810       7.019873 
1 1 1 -5  12 24 o 29.02353 5.533163  -8.054714      11.06633 
1 1 1 -5  12 25 o 22.88269 6.601179  ?              ?        
1 1 1 -5  12 26 o 24.07145 9.720594  ?              ?        
1 1 1 -5  12 27 o 36.77959 5.981859  -8.137791      11.96372 
1 1 1 -5  12 28 o 60.12211 3.716192  -10.73940      7.432384 
1 1 1 -5  12 29 o 18.38194 4.875164  -0.3906174     9.750327 
1 1 1 -5  12 30 o 32.11011 4.432468  -18.67300      8.864937 
1 1 1 -5  12 31 o 14.67720 4.335176  8.106627       8.670352 
1 1 1 -5  12 32 o 21.84537 7.093713  ?              ?        
1 1 1 -5  12 33 o 17.78876 6.778197  ?              ?        
1 1 1 -5  12 34 o 18.18090 4.761183  -6.317559      9.522366 
1 1 1 -5  13 1  o 215.4987 3.699228  -20.92267      7.398455 
1 1 1 -5  13 2  o 25.42165 5.364307  -15.53101      10.72861 
1 1 1 -5  13 3  o 88.50601 3.220232  -3.410461      6.440465 
1 1 1 -5  13 4  o 255.2114 4.146008  -7.680817      8.292016 
1 1 1 -5  13 5  o 187.4342 3.577139  -9.770966      7.154278 
1 1 1 -5  13 6  o 144.9737 3.347405  10.35751       6.694811 
1 1 1 -5  13 7  f 72.02979 5.393598  ?              ?        
1 1 1 -5  13 8  o 292.0316 4.659154  -1.926880      9.318309 
1 1 1 -5  13 9  o 149.7257 4.886904  ?              ?        
1 1 1 -5  13 10 o 76.43839 3.345829  6.656013       6.691659 
1 1 1 -5  13 11 o 169.0044 3.133476  9.262772       6.266953 
1 1 1 -5  13 12 o 132.4170 3.435807  ?              ?        
1 1 1 -5  13 13 o 187.2197 3.762130  6.750916       7.524260 
1 1 1 -5  13 14 o 109.9930 3.365704  -3.797722      6.731407 
1 1 1 -5  13 15 o 24.97289 5.359591  7.615389       10.71918 
1 1 1 -5  13 16 o 37.49591 4.814023  -17.64626      9.628046 
1 1 1 -5  13 17 o 170.3785 3.669441  -4.310013      7.338881 
1 1 1 -5  13 18 o 77.92242 3.307535  -6.831512      6.615070 
1 1 1 -5  13 19 f 87.61430 3.066830  12.19637       6.133661 
1 1 1 -5  13 20 o 137.1534 3.154652  0.2897491      6.309303 
1 1 1 -5  13 21 o 78.79573 3.726660  2.801979       7.453319 
1 1 1 -5  13 22 o 78.50897 3.367549  2.873642       6.735097 
1 1 1 -5  13 23 o 64.45090 4.167454  -11.55070      8.334908 
1 1 1 -5  13 24 f 48.21653 5.094312  -8.959610      10.18862 
1 1 1 -5  13 25 o 20.76310 6.128770  0.4741192      12.25754 
1 1 1 -5  13 26 o 39.76090 5.449287  -3.599964      10.89857 
1 1 1 -5  13 27 o 27.99566 5.338611  -6.837587      10.67722 
1 1 1 -5  13 28 o 21.66088 4.858077  -6.955599      9.716153 
1 1 1 -5  13 29 o 72.78220 3.239430  -16.54831      6.478859 
1 1 1 -5  13 30 o 22.22128 4.909764  14.40413       9.819528 
1 1 1 -5  13 31 o 25.54379 4.245250  -11.48433      8.490499 
1 1 1 -5  13 32 o 24.70977 6.457158  ?              ?        
1 1 1 -5  13 33 o 13.57624 4.166700  -3.149566      8.333400 
1 1 1 -5  14 1  o 66.34948 3.649107  1.343185       7.298213 
1 1 1 -5  14 2  o 187.5439 3.531122  0.3364105      7.062243 
1 1 1 -5  14 3  o 166.7285 3.413172  0.1534729      6.826344 
1 1 1 -5  14 4  o 268.8075 4.327813  1.228668       8.655626 
1 1 1 -5  14 5  o 134.3096 4.715129  ?              ?        
1 1 1 -5  14 6  o 214.8798 5.445596  ?              ?        
1 1 1 -5  14 7  o 214.3520 5.507299  ?              ?        
1 1 1 -5  14 8  o 46.74652 6.827053  ?              ?        
1 1 1 -5  14 9  o 163.0306 3.526666  0.7824707E-01  7.053332 
1 1 1 -5  14 10 o 231.9174 5.644315  ?              ?        
1 1 1 -5  14 11 o 176.4987 3.641289  -9.542953      7.282578 
1 1 1 -5  14 12 o 73.69493 3.270866  3.513176       6.541732 
1 1 1 -5  14 13 o 67.82805 3.444518  -1.614479      6.889035 
1 1 1 -5  14 14 o 176.8185 3.231747  2.837921       6.463495 
1 1 1 -5  14 15 o 57.21017 3.578596  12.94942       7.157192 
1 1 1 -5  14 16 o 59.81892 3.566207  -1.589920      7.132413 
1 1 1 -5  14 17 o 25.24548 6.240270  -2.047550      12.48054 
1 1 1 -5  14 18 o 116.9275 3.190734  1.455399       6.381467 
1 1 1 -5  14 19 o 54.04775 4.035741  2.080036       8.071483 
1 1 1 -5  14 20 f 58.95173 4.319907  25.05241       8.639814 
1 1 1 -5  14 21 o 141.1290 3.263398  -5.924316      6.526796 
1 1 1 -5  14 22 o 71.92983 3.788707  ?              ?        
1 1 1 -5  14 23 o 17.00172 5.438995  4.386387       10.87799 
1 1 1 -5  14 24 o 66.60092 4.567221  -3.212517      9.134442 
1 1 1 -5  14 25 o 17.91963 5.538409  5.314986       11.07682 
1 1 1 -5  14 26 f 24.30777 5.381217  -7.234688      10.76243 
1 1 1 -5  14 27 o 59.50737 4.013345  -4.702309      8.026690 
1 1 1 -5  14 28 o 44.15311 4.403026  -7.005280      8.806052 
1 1 1 -5  14 29 o 38.24377 4.358089  -6.308544      8.716178 
1 1 1 -5  14 30 o 34.49515 3.954059  -27.63610      7.908118 
1 1 1 -5  14 31 o 32.60013 4.731291  ?              ?        
1 1 1 -5  14 32 o 32.85955 4.054917  -27.82565      8.109835 
1 1 1 -5  15 1  x ?        ?         ?              ?        
1 1 1 -5  15 2  o 187.1544 5.058770  ?              ?        
1 1 1 -5  15 3  o 110.9753 3.224872  6.463013       6.449743 
1 1 1 -5  15 4  o 276.9752 4.464189  -12.35876      8.928378 
1 1 1 -5  15 5  o 66.12006 3.769589  -15.67113      7.539178 
1 1 1 -5  15 6  o 88.90148 5.077426  ?              ?        
1 1 1 -5  15 7  x ?        ?         ?              ?        
1 1 1 -5  15 8  o 140.9629 4.930462  ?              ?        
1 1 1 -5  15 9  o 100.3336 3.369508  -2.271629      6.739017 
1 1 1 -5  15 10 o 142.7512 3.442428  3.289993       6.884856 
1 1 1 -5  15 11 o 170.1698 3.634463  5.653839       7.268927 
1 1 1 -5  15 12 o 125.1378 3.069999  1.276833       6.139997 
1 1 1 -5  15 13 o 104.2943 3.052849  -0.6763687     6.105698 
1 1 1 -5  15 14 o 22.12313 5.304146  -7.892677      10.60829 
1 1 1 -5  15 15 o 70.06515 3.467190  2.608521       6.934381 
1 1 1 -5  15 16 o 68.57346 3.588103  -12.99238      7.176206 
1 1 1 -5  15 17 o 62.88915 5.765900  ?              ?        
1 1 1 -5  15 18 o 90.32500 3.792391  2.883598       7.584782 
1 1 1 -5  15 19 f 74.41302 3.733033  -6.049377      7.466066 
1 1 1 -5  15 20 o 75.79995 3.688759  ?              ?        
1 1 1 -5  15 21 o 19.70603 5.358639  -7.657300      10.71728 
1 1 1 -5  15 22 o 86.91042 4.244302  -5.287910      8.488605 
1 1 1 -5  15 23 o 89.36588 3.630229  -1.154472      7.260458 
1 1 1 -5  15 24 o 80.77771 3.818368  -1.774956      7.636735 
1 1 1 -5  15 25 o 61.71681 4.072726  4.058556       8.145452 
1 1 1 -5  15 26 o 61.57858 4.118244  -11.73510      8.236487 
1 1 1 -5  15 27 o 32.86662 4.819955  -15.47875      9.639910 
1 1 1 -5  15 28 o 27.66752 4.992509  14.10475       9.985018 
1 1 1 -5  15 29 o 25.22825 4.209559  -14.59548      8.419119 
1 1 1 -5  15 30 o 32.10160 7.212785  ?              ?        
1 1 1 -5  15 31 f 26.76234 4.112461  -16.21212      8.224922 
1 1 1 -5  15 32 o 30.33256 5.045724  -7.262688      10.09145 
1 1 1 -5  16 1  o 21.74051 7.874780  ?              ?        
1 1 1 -5  16 2  o 52.32829 5.554245  ?              ?        
1 1 1 -5  16 3  o 94.17517 4.734826  ?              ?        
1 1 1 -5  16 4  o 82.67346 3.417185  -3.935783      6.834369 
1 1 1 -5  16 5  o 80.75877 3.516330  -10.55252      7.032661 
1 1 1 -5  16 6  o 51.37807 4.493020  6.259007       8.986040 
1 1 1 -5  16 7  o 91.65399 3.477264  -8.668198      6.954527 
1 1 1 -5  16 8  o 124.8829 4.876884  ?              ?        
1 1 1 -5  16 9  o 63.80049 3.784601  17.75735       7.569202 
1 1 1 -5  16 10 o 100.6319 3.488753  -10.96680      6.977506 
1 1 1 -5  16 11 o 97.51977 3.508181  1.231934       7.016362 
1 1 1 -5  16 12 o 45.55905 4.183955  4.359528       8.367910 
1 1 1 -5  16 13 o 156.8928 3.252563  3.851288       6.505126 
1 1 1 -5  16 14 o 37.28877 5.577147  -12.63726      11.15429 
1 1 1 -5  16 15 o 94.04228 3.254821  8.400414       6.509643 
1 1 1 -5  16 16 o 21.97553 5.913719  -16.71135      11.82744 
1 1 1 -5  16 17 o 46.99738 7.398797  ?              ?        
1 1 1 -5  16 18 o 33.91771 6.790578  ?              ?        
1 1 1 -5  16 19 o 35.40743 6.005399  21.30859       12.01080 
1 1 1 -5  16 20 o 95.36688 4.081418  -9.364021      8.162835 
1 1 1 -5  16 21 o 79.70164 3.817184  4.159111       7.634369 
1 1 1 -5  16 22 o 103.6171 3.624814  -6.242767      7.249629 
1 1 1 -5  16 23 o 87.52808 3.713900  -3.386360      7.427801 
1 1 1 -5  16 24 o 91.94016 3.611961  -11.25378      7.223922 
1 1 1 -5  16 25 o 66.64489 3.732486  -3.978241      7.464971 
1 1 1 -5  16 26 o 39.86390 5.067276  -15.00535      10.13455 
1 1 1 -5  16 27 o 14.12236 4.376020  4.568263       8.752041 
1 1 1 -5  16 28 o 14.32844 5.866444  ?              ?        
1 1 1 -5  16 29 o 19.97451 4.405795  12.79969       8.811590 
1 1 1 -5  16 30 o 24.46865 4.917248  0.1295815      9.834496 
1 1 1 -5  16 31 o 22.36016 4.996462  1.250269       9.992925 
1 1 1 -5  17 1  o 89.70633 4.759412  ?              ?        
1 1 1 -5  17 2  o 90.37926 4.869810  ?              ?        
1 1 1 -5  17 3  o 52.97285 4.296328  -9.699688      8.592656 
1 1 1 -5  17 4  o 67.32640 3.712846  14.45818       7.425692 
1 1 1 -5  17 5  o 172.3041 3.579977  2.601471       7.159953 
1 1 1 -5  17 6  o 31.00288 5.789768  -10.45086      11.57954 
1 1 1 -5  17 7  o 136.6952 3.471499  -1.749985      6.942999 
1 1 1 -5  17 8  o 23.68455 8.561132  ?              ?        
1 1 1 -5  17 9  o 53.05617 4.047897  -2.974487      8.095794 
1 1 1 -5  17 10 o 93.94314 3.582952  9.230881       7.165905 
1 1 1 -5  17 11 o 103.2974 3.625815  -19.83582      7.251629 
1 1 1 -5  17 12 o 68.22632 3.913528  0.9478683      7.827055 
1 1 1 -5  17 13 o 20.76582 6.068150  3.411112       12.13630 
1 1 1 -5  17 14 o 90.46036 3.858163  -1.510094      7.716326 
1 1 1 -5  17 15 o 119.1239 3.251143  3.172905       6.502286 
1 1 1 -5  17 16 x ?        ?         ?              ?        
1 1 1 -5  17 17 o 109.7243 5.694997  ?              ?        
1 1 1 -5  17 18 o 107.9660 3.921516  5.267929       7.843033 
1 1 1 -5  17 19 o 35.10484 5.974322  -14.33072      11.94864 
1 1 1 -5  17 20 o 58.66113 4.500898  4.497784       9.001797 
1 1 1 -5  17 21 o 134.9546 3.542174  -1.286942      7.084348 
1 1 1 -5  17 22 o 90.30936 3.742214  -3.284241      7.484427 
1 1 1 -5  17 23 o 37.14400 5.425317  -18.50036      10.85063 
1 1 1 -5  17 24 o 58.66528 4.140014  -3.560379      8.280027 
1 1 1 -5  17 25 o 27.77208 5.792205  -11.12976      11.58441 
1 1 1 -5  17 26 o 54.69901 3.766177  -21.17138      7.532354 
1 1 1 -5  17 27 o 26.30052 5.728682  ?              ?        
1 1 1 -5  17 28 o 19.11830 4.323886  -10.08853      8.647773 
1 1 1 -5  17 29 o 22.40903 5.002574  -3.592869      10.00515 
1 1 1 -5  17 30 o 15.98940 3.857998  -11.25296      7.715995 
1 1 1 -5  18 1  o 126.8899 4.656994  ?              ?        
1 1 1 -5  18 2  o 120.6836 4.744237  ?              ?        
1 1 1 -5  18 3  o 68.27332 4.985030  ?              ?        
1 1 1 -5  18 4  o 34.61250 5.493767  6.256168       10.98753 
1 1 1 -5  18 5  o 136.3927 3.487815  3.043777       6.975630 
1 1 1 -5  18 6  o 20.95908 5.609911  -1.000589      11.21982 
1 1 1 -5  18 7  o 70.03051 3.717848  -4.215790      7.435697 
1 1 1 -5  18 8  o 110.1565 4.972892  ?              ?        
1 1 1 -5  18 9  o 162.7570 3.787586  -11.89868      7.575171 
1 1 1 -5  18 10 o 90.61620 5.225824  ?              ?        
1 1 1 -5  18 11 o 75.90410 4.027186  2.174461       8.054372 
1 1 1 -5  18 12 o 73.27608 4.113002  -0.7551041     8.226005 
1 1 1 -5  18 13 o 44.05049 5.742049  -14.21635      11.48410 
1 1 1 -5  18 14 o 58.89594 5.106772  ?              ?        
1 1 1 -5  18 15 o 38.01880 6.167118  -19.95433      12.33424 
1 1 1 -5  18 16 o 75.67838 4.413111  -4.802834      8.826221 
1 1 1 -5  18 17 o 78.67841 6.946730  ?              ?        
1 1 1 -5  18 18 o 86.12046 3.716775  0.4951172      7.433551 
1 1 1 -5  18 19 o 29.97215 6.563671  5.355536       13.12734 
1 1 1 -5  18 20 o 74.19266 4.159042  -5.280762      8.318085 
1 1 1 -5  18 21 o 62.59576 4.245248  -0.7586403     8.490496 
1 1 1 -5  18 22 o 47.20493 5.374515  -11.09512      10.74903 
1 1 1 -5  18 23 o 28.07467 6.093906  -9.672989      12.18781 
1 1 1 -5  18 24 o 24.52591 5.628517  9.235247       11.25703 
1 1 1 -5  18 25 o 42.77401 4.305380  ?              ?        
1 1 1 -5  18 26 o 34.52910 4.559527  -7.529661      9.119054 
1 1 1 -5  18 27 o 17.26157 4.705397  5.028111       9.410794 
1 1 1 -5  18 28 o 25.06667 3.951550  -16.70796      7.903100 
1 1 1 -5  18 29 o 28.46141 4.298498  -3.109631      8.596995 
1 1 1 -5  19 1  o 229.9525 5.980094  ?              ?        
1 1 1 -5  19 2  o 34.71727 8.256625  ?              ?        
1 1 1 -5  19 3  o 170.9955 5.418441  ?              ?        
1 1 1 -5  19 4  o 113.2057 5.076548  ?              ?        
1 1 1 -5  19 5  o 108.2856 3.628581  3.986237       7.257162 
1 1 1 -5  19 6  o 139.5841 5.093779  ?              ?        
1 1 1 -5  19 7  o 76.20647 3.991983  3.010483       7.983966 
1 1 1 -5  19 8  o 64.75967 5.959495  ?              ?        
1 1 1 -5  19 9  o 106.8792 3.745505  9.129921       7.491009 
1 1 1 -5  19 10 o 112.4307 5.354494  ?              ?        
1 1 1 -5  19 11 f 68.82670 5.699044  ?              ?        
1 1 1 -5  19 12 o 166.9232 3.973035  -1.793518      7.946070 
1 1 1 -5  19 13 o 97.03746 4.040390  -1.050140      8.080780 
1 1 1 -5  19 14 o 55.84243 4.734539  0.2345543      9.469077 
1 1 1 -5  19 15 o 75.40569 4.066815  -2.893562      8.133631 
1 1 1 -5  19 16 f 21.41941 6.175846  -4.067972      12.35169 
1 1 1 -5  19 17 o 25.68915 10.30708  ?              ?        
1 1 1 -5  19 18 o 73.16402 4.236363  3.167885       8.472727 
1 1 1 -5  19 19 o 89.07352 3.820568  15.51142       7.641135 
1 1 1 -5  19 20 o 38.06947 9.281165  ?              ?        
1 1 1 -5  19 21 o 18.25819 5.753988  -2.001795      11.50798 
1 1 1 -5  19 22 o 42.82654 5.153715  -8.562733      10.30743 
1 1 1 -5  19 23 o 18.38989 6.597135  ?              ?        
1 1 1 -5  19 24 o 45.11046 4.318202  -7.502838      8.636404 
1 1 1 -5  19 25 f 13.16996 4.071332  -3.013511      8.142664 
1 1 1 -5  19 26 o 39.88904 4.010469  -0.1606026     8.020938 
1 1 1 -5  19 27 o 29.76509 4.071106  -18.56660      8.142213 
1 1 1 -5  19 28 o 15.69631 4.277219  -3.714808      8.554439 
1 1 1 -5  20 1  x ?        ?         ?              ?        
1 1 1 -5  20 2  o 70.80241 5.302793  ?              ?        
1 1 1 -5  20 3  o 146.1902 5.397801  ?              ?        
1 1 1 -5  20 4  o 19.39635 8.141420  ?              ?        
1 1 1 -5  20 5  o 77.43790 5.375221  ?              ?        
1 1 1 -5  20 6  x ?        ?         ?              ?        
1 1 1 -5  20 7  x ?        ?         ?              ?        
1 1 1 -5  20 8  o 30.97779 9.389239  ?              ?        
1 1 1 -5  20 9  o 56.86733 7.217443  ?              ?        
1 1 1 -5  20 10 o 57.77280 4.836402  4.745956       9.672804 
1 1 1 -5  20 11 o 76.67374 4.375454  -2.425148      8.750908 
1 1 1 -5  20 12 o 56.62007 5.128031  -11.19489      10.25606 
1 1 1 -5  20 13 o 38.96202 6.810559  -7.882706      13.62112 
1 1 1 -5  20 14 o 74.47980 4.161914  0.6771774      8.323829 
1 1 1 -5  20 15 f 25.48133 6.461756  -5.680902      12.92351 
1 1 1 -5  20 16 o 62.58873 4.804584  -8.363575      9.609167 
1 1 1 -5  20 17 o 59.48018 8.077479  ?              ?        
1 1 1 -5  20 18 o 48.27430 6.278643  -7.724136      12.55729 
1 1 1 -5  20 19 o 46.27910 5.467889  -13.21175      10.93578 
1 1 1 -5  20 20 o 61.56438 4.001654  5.456242       8.003308 
1 1 1 -5  20 21 o 49.51052 4.804377  ?              ?        
1 1 1 -5  20 22 o 19.96592 5.395934  8.147454       10.79187 
1 1 1 -5  20 23 f 22.64940 5.419493  2.193106       10.83899 
1 1 1 -5  20 24 o 26.13261 5.440538  0.7309952      10.88108 
1 1 1 -5  20 25 o 18.71283 4.536775  1.419451       9.073550 
1 1 1 -5  20 26 o 14.83397 3.896103  -8.584576      7.792206 
1 1 1 -5  20 27 o 19.25808 4.344195  -7.354717      8.688391 
1 1 1 -5  21 1  o 68.21333 5.673308  ?              ?        
1 1 1 -5  21 2  o 18.89441 8.030042  ?              ?        
1 1 1 -5  21 3  o 221.5901 6.160017  ?              ?        
1 1 1 -5  21 4  x ?        ?         ?              ?        
1 1 1 -5  21 5  x ?        ?         ?              ?        
1 1 1 -5  21 6  x ?        ?         ?              ?        
1 1 1 -5  21 7  o 116.9428 5.576167  ?              ?        
1 1 1 -5  21 8  o 78.68107 6.069263  ?              ?        
1 1 1 -5  21 9  o 67.87254 6.385083  ?              ?        
1 1 1 -5  21 10 o 106.6152 4.130738  -9.587883      8.261476 
1 1 1 -5  21 11 o 71.45512 4.643505  12.35624       9.287010 
1 1 1 -5  21 12 o 62.60580 5.141226  -2.809708      10.28245 
1 1 1 -5  21 13 o 48.73639 5.996804  -1.554268      11.99361 
1 1 1 -5  21 14 o 29.16572 7.003319  3.060345       14.00664 
1 1 1 -5  21 15 o 27.52605 6.658062  7.291950       13.31612 
1 1 1 -5  21 16 o 23.66422 6.828928  1.220472       13.65786 
1 1 1 -5  21 17 o 56.46207 7.923661  ?              ?        
1 1 1 -5  21 18 o 54.81851 4.320887  10.35622       8.641774 
1 1 1 -5  21 19 o 36.62074 5.870155  ?              ?        
1 1 1 -5  21 20 o 34.35782 5.150169  -9.287226      10.30034 
1 1 1 -5  21 21 o 28.70821 6.174743  -0.9729881     12.34949 
1 1 1 -5  21 22 o 36.38748 4.868052  -12.27715      9.736104 
1 1 1 -5  21 23 o 13.37273 3.935368  -6.307446      7.870735 
1 1 1 -5  21 24 o 23.86403 4.579415  5.205481       9.158831 
1 1 1 -5  21 25 o 28.50936 4.311106  1.097933       8.622212 
1 1 1 -5  21 26 o 24.19590 5.361454  -10.27826      10.72291 
1 1 1 -5  22 1  o 138.4155 3.884609  ?              ?        
1 1 1 -5  22 2  o 30.45374 9.147159  ?              ?        
1 1 1 -5  22 3  o 51.64869 7.273774  ?              ?        
1 1 1 -5  22 4  x ?        ?         ?              ?        
1 1 1 -5  22 5  x ?        ?         ?              ?        
1 1 1 -5  22 6  x ?        ?         ?              ?        
1 1 1 -5  22 7  x ?        ?         ?              ?        
1 1 1 -5  22 8  o 36.96566 9.060216  ?              ?        
1 1 1 -5  22 9  o 123.2090 5.584613  ?              ?        
1 1 1 -5  22 10 o 122.3045 4.096085  12.82411       8.192169 
1 1 1 -5  22 11 o 102.4825 4.137729  -3.897247      8.275458 
1 1 1 -5  22 12 o 58.64403 5.619938  3.503357       11.23988 
1 1 1 -5  22 13 o 20.59265 8.771144  ?              ?        
1 1 1 -5  22 14 o 55.84265 5.647359  17.51963       11.29472 
1 1 1 -5  22 15 o 98.91041 3.594884  -6.289368      7.189767 
1 1 1 -5  22 16 o 50.17741 5.236858  ?              ?        
1 1 1 -5  22 17 o 18.84801 8.335467  ?              ?        
1 1 1 -5  22 18 o 18.96049 5.661535  3.280334       11.32307 
1 1 1 -5  22 19 o 42.68980 4.529366  11.15764       9.058733 
1 1 1 -5  22 20 o 45.49931 4.116455  -0.6847916     8.232909 
1 1 1 -5  22 21 o 27.25524 4.200223  31.18744       8.400446 
1 1 1 -5  22 22 o 23.15763 4.782140  8.390528       9.564280 
1 1 1 -5  22 23 o 12.60553 3.811126  -4.968067      7.622252 
1 1 1 -5  22 24 o 35.35857 4.995198  -14.41947      9.990396 
1 1 1 -5  22 25 o 12.62655 4.091528  0.8743591      8.183056 
1 1 1 -5  23 1  o 26.25295 8.322087  ?              ?        
1 1 1 -5  23 2  o 38.08049 6.143796  ?              ?        
1 1 1 -5  23 3  o 84.95061 6.103390  ?              ?        
1 1 1 -5  23 4  x ?        ?         ?              ?        
1 1 1 -5  23 5  x ?        ?         ?              ?        
1 1 1 -5  23 6  x ?        ?         ?              ?        
1 1 1 -5  23 7  x ?        ?         ?              ?        
1 1 1 -5  23 8  x ?        ?         ?              ?        
1 1 1 -5  23 9  o 25.61015 9.228008  ?              ?        
1 1 1 -5  23 10 o 28.97262 9.671797  ?              ?        
1 1 1 -5  23 11 o 37.58912 6.721190  2.613091       13.44238 
1 1 1 -5  23 12 o 32.07967 5.911379  -29.13876      11.82276 
1 1 1 -5  23 13 o 91.75143 5.936266  ?              ?        
1 1 1 -5  23 14 o 40.59592 6.144580  1.272030       12.28916 
1 1 1 -5  23 15 o 31.91634 6.458104  2.359182       12.91621 
1 1 1 -5  23 16 f 33.05256 5.269038  -9.359163      10.53808 
1 1 1 -5  23 17 o 18.91989 8.294271  ?              ?        
1 1 1 -5  23 18 o 15.23584 4.710868  2.187703       9.421736 
1 1 1 -5  23 19 o 55.61823 3.494423  3.332367       6.988846 
1 1 1 -5  23 20 o 17.21895 4.524408  -4.313218      9.048816 
1 1 1 -5  23 21 o 20.16250 4.940876  0.5459137      9.881752 
1 1 1 -5  23 22 o 14.64418 4.542501  -0.6258440     9.085002 
1 1 1 -5  23 23 o 23.37612 5.491735  -7.702024      10.98347 
1 1 1 -5  23 24 o 14.59654 4.613254  -1.694968      9.226508 
1 1 1 -5  24 1  f 84.97601 6.185876  ?              ?        
1 1 1 -5  24 2  x ?        ?         ?              ?        
1 1 1 -5  24 3  x ?        ?         ?              ?        
1 1 1 -5  24 4  x ?        ?         ?              ?        
1 1 1 -5  24 5  x ?        ?         ?              ?        
1 1 1 -5  24 6  x ?        ?         ?              ?        
1 1 1 -5  24 7  x ?        ?         ?              ?        
1 1 1 -5  24 8  x ?        ?         ?              ?        
1 1 1 -5  24 9  x ?        ?         ?              ?        
1 1 1 -5  24 10 o 38.25563 9.489179  ?              ?        
1 1 1 -5  24 11 o 49.51192 5.765224  -10.44695      11.53045 
1 1 1 -5  24 12 o 68.60289 4.603415  -1.270607      9.206830 
1 1 1 -5  24 13 o 58.90501 4.773352  -2.409019      9.546703 
1 1 1 -5  24 14 o 23.89609 6.269886  1.901611       12.53977 
1 1 1 -5  24 15 o 22.55602 6.000151  4.535580       12.00030 
1 1 1 -5  24 16 o 26.76456 5.363180  -2.493528      10.72636 
1 1 1 -5  24 17 o 17.12219 7.456316  ?              ?        
1 1 1 -5  24 18 f 13.05181 4.133665  1.838551       8.267330 
1 1 1 -5  24 19 o 52.71112 3.158405  -3.728664      6.316811 
1 1 1 -5  24 20 o 15.98670 4.811938  1.371403       9.623876 
1 1 1 -5  24 21 o 14.17702 4.528107  -5.645807      9.056213 
1 1 1 -5  24 22 o 28.59301 8.572258  ?              ?        
1 1 1 -5  25 1  o 13.47781 6.197518  ?              ?        
1 1 1 -5  25 2  o 49.57820 7.245584  ?              ?        
1 1 1 -5  25 3  o 33.05361 9.760170  ?              ?        
1 1 1 -5  25 4  o 23.80862 9.159465  ?              ?        
1 1 1 -5  25 5  x ?        ?         ?              ?        
1 1 1 -5  25 6  x ?        ?         ?              ?        
1 1 1 -5  25 7  x ?        ?         ?              ?        
1 1 1 -5  25 8  x ?        ?         ?              ?        
1 1 1 -5  25 9  x ?        ?         ?              ?        
1 1 1 -5  25 10 x ?        ?         ?              ?        
1 1 1 -5  25 11 o 75.53802 4.334037  -0.6697922     8.668075 
1 1 1 -5  25 12 f 21.69711 5.936369  7.832300       11.87274 
1 1 1 -5  25 13 o 54.23666 4.121067  -3.799950      8.242133 
1 1 1 -5  25 14 o 37.52874 5.212161  -2.483376      10.42432 
1 1 1 -5  25 15 o 16.47703 4.947571  3.651371       9.895142 
1 1 1 -5  25 16 f 23.82070 4.793692  -11.43340      9.587384 
1 1 1 -5  25 17 o 12.34560 6.065965  ?              ?        
1 1 1 -5  25 18 o 21.99029 5.434581  5.956848       10.86916 
1 1 1 -5  25 19 o 14.22059 6.730576  ?              ?        
1 1 1 -5  25 20 o 19.69905 8.216874  ?              ?        
1 1 1 -5  26 1  o 45.11397 4.973562  ?              ?        
1 1 1 -5  26 2  f 38.14476 7.958346  ?              ?        
1 1 1 -5  26 3  o 41.27232 8.127664  ?              ?        
1 1 1 -5  26 4  o 17.14358 7.616945  ?              ?        
1 1 1 -5  26 5  x ?        ?         ?              ?        
1 1 1 -5  26 6  x ?        ?         ?              ?        
1 1 1 -5  26 7  x ?        ?         ?              ?        
1 1 1 -5  26 8  x ?        ?         ?              ?        
1 1 1 -5  26 9  x ?        ?         ?              ?        
1 1 1 -5  26 10 x ?        ?         ?              ?        
1 1 1 -5  26 11 o 18.68958 7.499393  ?              ?        
1 1 1 -5  26 12 o 55.13445 5.435830  ?              ?        
1 1 1 -5  26 13 o 14.89346 6.686080  ?              ?        
1 1 1 -5  26 14 o 13.57349 6.175810  ?              ?        
1 1 1 -5  26 15 o 10.56321 5.209362  ?              ?        
1 1 1 -5  26 16 o 32.64677 8.432382  ?              ?        
1 1 1 -5  26 17 o 22.72845 8.863447  ?              ?        
1 1 1 -5  26 18 o 14.19723 6.665381  ?              ?        
1 1 1 -5  27 1  o 52.39642 4.254533  ?              ?        
1 1 1 -5  27 2  o 20.37989 7.644918  ?              ?        
1 1 1 -5  27 3  o 31.04653 7.567873  ?              ?        
1 1 1 -5  27 4  o 16.51605 7.148330  ?              ?        
1 1 1 -5  27 5  x ?        ?         ?              ?        
1 1 1 -5  27 6  x ?        ?         ?              ?        
1 1 1 -5  27 7  x ?        ?         ?              ?        
1 1 1 -5  27 8  x ?        ?         ?              ?        
1 1 1 -5  27 9  x ?        ?         ?              ?        
1 1 1 -5  27 10 x ?        ?         ?              ?        
1 1 1 -5  27 11 x ?        ?         ?              ?        
1 1 1 -5  27 12 x ?        ?         ?              ?        
1 1 1 -5  27 13 x ?        ?         ?              ?        
1 1 1 -5  27 14 x ?        ?         ?              ?        
1 1 1 -5  27 15 x ?        ?         ?              ?        
1 1 1 -5  27 16 x ?        ?         ?              ?        
1 1 1 -5  28 1  x ?        ?         ?              ?        
1 1 1 -5  28 2  x ?        ?         ?              ?        
1 1 1 -5  28 3  x ?        ?         ?              ?        
1 1 1 -5  28 4  x ?        ?         ?              ?        
1 1 1 -5  28 5  x ?        ?         ?              ?        
1 1 1 -5  28 6  x ?        ?         ?              ?        
1 1 1 -5  28 7  x ?        ?         ?              ?        
1 1 1 -5  28 8  x ?        ?         ?              ?        
1 1 1 -5  28 9  x ?        ?         ?              ?        
1 1 1 -5  28 10 x ?        ?         ?              ?        
1 1 1 -5  28 11 x ?        ?         ?              ?        
1 1 1 -5  28 12 x ?        ?         ?              ?        
1 1 1 -5  28 13 x ?        ?         ?              ?        
1 1 1 -5  29 1  x ?        ?         ?              ?        
1 1 1 -5  29 2  x ?        ?         ?              ?        
1 1 1 -5  29 3  x ?        ?         ?              ?        
1 1 1 -5  29 4  x ?        ?         ?              ?        
1 1 1 -5  29 5  x ?        ?         ?              ?        
1 1 1 -5  29 6  x ?        ?         ?              ?        
1 1 1 -5  29 7  x ?        ?         ?              ?        
1 1 1 -5  29 8  x ?        ?         ?              ?        
1 1 1 -5  29 9  x ?        ?         ?              ?        
1 1 1 -4  0  1  o 151.1293 2.075212  0.000000       0.000000 
1 1 1 -4  0  2  o 203.4802 2.752494  -0.000000      0.000000 
1 1 1 -4  0  3  o 324.4916 4.326641  0.000000       0.000000 
1 1 1 -4  0  4  o 308.4843 5.856152  -0.000000      0.000000 
1 1 1 -4  0  5  o 383.9156 7.255507  0.000000       0.000000 
1 1 1 -4  0  6  o 99.09999 1.581074  -0.000000      0.000000 
1 1 1 -4  0  7  o 230.9699 4.438270  0.000000       0.000000 
1 1 1 -4  0  8  o 74.39877 1.395579  -0.000000      0.000000 
1 1 1 -4  0  9  o 373.5090 5.010976  0.000000       0.000000 
1 1 1 -4  0  10 o 170.2424 2.448696  -0.000000      0.000000 
1 1 1 -4  0  11 o 126.6684 1.972347  0.000000       0.000000 
1 1 1 -4  0  12 o 302.8703 4.124254  -0.000000      0.000000 
1 1 1 -4  0  13 o 396.1129 5.328641  0.000000       0.000000 
1 1 1 -4  0  14 o 351.0361 6.805614  0.000000       0.000000 
1 1 1 -4  0  15 x ?        ?         ?              ?        
1 1 1 -4  0  16 o 59.04000 1.829084  0.000000       0.000000 
1 1 1 -4  0  17 o 29.86145 2.875532  -0.000000      0.000000 
1 1 1 -4  0  18 o 150.9030 2.435784  0.000000       0.000000 
1 1 1 -4  0  19 o 12.13348 6.145407  0.000000       0.000000 
1 1 1 -4  0  20 o 44.79324 2.365206  -0.000000      0.000000 
1 1 1 -4  0  21 o 89.34729 2.129755  0.000000       0.000000 
1 1 1 -4  0  22 o 204.5064 3.139553  -0.000000      0.000000 
1 1 1 -4  0  23 o 270.4341 5.732401  0.000000       0.000000 
1 1 1 -4  0  24 o 102.6288 2.284562  -0.000000      0.000000 
1 1 1 -4  0  25 o 130.2988 2.532363  0.000000       0.000000 
1 1 1 -4  0  26 f 83.60300 2.465408  -0.000000      0.000000 
1 1 1 -4  0  27 o 107.4020 2.622006  0.000000       0.000000 
1 1 1 -4  0  28 o 158.9295 2.999631  -0.000000      0.000000 
1 1 1 -4  0  29 o 52.89503 3.401046  0.000000       0.000000 
1 1 1 -4  0  30 o 10.49080 6.545834  -0.000000      0.000000 
1 1 1 -4  0  31 o 106.2395 2.940149  -0.000000      0.000000 
1 1 1 -4  0  32 o 42.90787 4.021594  -0.000000      0.000000 
1 1 1 -4  0  33 o 28.09082 6.095817  0.000000       0.000000 
1 1 1 -4  0  34 f 27.25201 5.722553  -0.000000      0.000000 
1 1 1 -4  0  35 o 19.15295 7.518524  0.000000       0.000000 
1 1 1 -4  0  36 x ?        ?         ?              ?        
1 1 1 -4  1  1  o 390.5957 3.695554  -14.90036      7.391108 
1 1 1 -4  1  2  o 302.8336 2.894684  -12.74667      5.789368 
1 1 1 -4  1  3  o 461.9314 4.353351  3.251648       8.706701 
1 1 1 -4  1  4  o 363.6872 4.178577  -11.34781      8.357154 
1 1 1 -4  1  5  o 372.7581 5.009755  -2.809265      10.01951 
1 1 1 -4  1  6  o 136.8371 1.467349  -10.75430      2.934698 
1 1 1 -4  1  7  o 369.1744 4.966394  -7.964020      9.932789 
1 1 1 -4  1  8  o 316.5455 3.034961  -7.461548      6.069921 
1 1 1 -4  1  9  o 172.7109 1.771266  -2.035538      3.542533 
1 1 1 -4  1  10 o 192.7642 1.947734  0.1116943      3.895468 
1 1 1 -4  1  11 o 226.3811 2.246344  2.503220       4.492688 
1 1 1 -4  1  12 o 333.5367 3.202091  3.033691       6.404182 
1 1 1 -4  1  13 f 78.13258 1.179905  1.838005       2.359811 
1 1 1 -4  1  14 o 86.58646 1.917912  -2.640343      3.835824 
1 1 1 -4  1  15 o 278.1506 5.411054  ?              ?        
1 1 1 -4  1  16 o 191.4319 2.007698  3.814651       4.015396 
1 1 1 -4  1  17 o 162.5366 1.811875  -1.044907      3.623751 
1 1 1 -4  1  18 o 119.2871 1.565163  -0.1651382     3.130327 
1 1 1 -4  1  19 o 72.63858 1.494250  -2.949654      2.988500 
1 1 1 -4  1  20 f 65.37207 1.497136  -1.954529      2.994271 
1 1 1 -4  1  21 o 109.5792 1.561616  0.2429733      3.123233 
1 1 1 -4  1  22 o 70.89616 1.505902  -0.2946625     3.011804 
1 1 1 -4  1  23 o 79.17287 2.559410  3.333939       5.118821 
1 1 1 -4  1  24 o 61.09834 1.672827  -0.5649567E-01 3.345653 
1 1 1 -4  1  25 o 64.81984 1.982732  0.1159210      3.965464 
1 1 1 -4  1  26 o 88.68067 1.726948  3.397507       3.453897 
1 1 1 -4  1  27 o 92.33359 1.809780  0.4183578      3.619559 
1 1 1 -4  1  28 o 56.08615 2.172231  -2.693371      4.344461 
1 1 1 -4  1  29 o 116.9801 2.015216  1.422188       4.030432 
1 1 1 -4  1  30 o 83.76012 2.066596  7.401207       4.133193 
1 1 1 -4  1  31 o 57.62786 2.406748  -1.488419      4.813496 
1 1 1 -4  1  32 o 27.76270 3.734772  -2.103697      7.469545 
1 1 1 -4  1  33 o 24.17247 4.705737  5.658007       9.411474 
1 1 1 -4  1  34 o 12.74938 3.827034  0.2494030      7.654067 
1 1 1 -4  1  35 o 12.37351 3.700471  4.261909       7.400941 
1 1 1 -4  1  36 o 33.20259 3.202721  -9.420382      6.405442 
1 1 1 -4  2  1  o 218.7899 2.186061  -13.61395      4.372123 
1 1 1 -4  2  2  o 448.7061 4.256484  -12.04535      8.512968 
1 1 1 -4  2  3  o 182.6664 1.884738  -5.794540      3.769476 
1 1 1 -4  2  4  o 585.8840 7.846001  21.06775       15.69200 
1 1 1 -4  2  5  o 413.1315 5.579495  -15.44391      11.15899 
1 1 1 -4  2  6  o 195.4743 2.019589  -9.803055      4.039177 
1 1 1 -4  2  7  f 41.52444 1.229944  -6.264870      2.459888 
1 1 1 -4  2  8  o 134.2732 1.534886  -3.237915      3.069772 
1 1 1 -4  2  9  o 182.8368 1.920264  2.088699       3.840528 
1 1 1 -4  2  10 o 35.14378 1.396692  -2.726223      2.793384 
1 1 1 -4  2  11 f 109.1552 1.374692  -6.367981      2.749385 
1 1 1 -4  2  12 o 360.0050 3.466585  -9.790894      6.933171 
1 1 1 -4  2  13 o 138.5429 1.590647  -0.5480347     3.181293 
1 1 1 -4  2  14 o 454.8235 6.152217  -5.949432      12.30443 
1 1 1 -4  2  15 o 267.3108 3.709165  8.115936       7.418331 
1 1 1 -4  2  16 o 116.1242 2.095185  3.713333       4.190371 
1 1 1 -4  2  17 o 141.0283 1.693488  -2.918793      3.386976 
1 1 1 -4  2  18 o 159.6996 1.835684  -6.017349      3.671368 
1 1 1 -4  2  19 o 66.19460 1.583197  4.507797       3.166394 
1 1 1 -4  2  20 o 201.9788 2.171717  6.117020       4.343434 
1 1 1 -4  2  21 o 100.6675 1.552979  -1.118874      3.105958 
1 1 1 -4  2  22 o 104.6236 1.599732  -6.026672      3.199465 
1 1 1 -4  2  23 o 78.96367 2.588609  5.311447       5.177217 
1 1 1 -4  2  24 o 63.63567 1.675298  1.344559       3.350596 
1 1 1 -4  2  25 o 135.5995 2.473724  -1.199417      4.947448 
1 1 1 -4  2  26 o 61.02533 1.867820  7.444798       3.735639 
1 1 1 -4  2  27 o 21.39577 3.975563  -3.021732      7.951126 
1 1 1 -4  2  28 o 12.53978 3.807815  -2.226406      7.615630 
1 1 1 -4  2  29 o 106.8899 2.053239  -2.472351      4.106479 
1 1 1 -4  2  30 o 26.69913 3.842419  -16.24647      7.684838 
1 1 1 -4  2  31 o 78.10860 3.425917  ?              ?        
1 1 1 -4  2  32 o 96.50945 2.115414  0.5312347      4.230828 
1 1 1 -4  2  33 o 25.06229 4.756992  10.95865       9.513985 
1 1 1 -4  2  34 o 54.13176 2.470839  -9.694309      4.941678 
1 1 1 -4  2  35 o 18.59819 3.660473  -15.08656      7.320947 
1 1 1 -4  2  36 o 26.73868 5.364064  ?              ?        
1 1 1 -4  3  1  o 493.6894 5.700954  -6.252258      11.40191 
1 1 1 -4  3  2  o 54.07142 1.185498  3.777546       2.370996 
1 1 1 -4  3  3  o 158.4634 2.474160  0.4042053E-01  4.948320 
1 1 1 -4  3  4  o 159.5529 2.167504  0.7263489      4.335007 
1 1 1 -4  3  5  o 21.59175 2.733619  10.29892       5.467238 
1 1 1 -4  3  6  o 221.4220 3.242939  -0.6397858     6.485878 
1 1 1 -4  3  7  o 306.9044 3.020935  -1.839203      6.041870 
1 1 1 -4  3  8  o 160.2140 1.806599  -10.45438      3.613199 
1 1 1 -4  3  9  o 144.3189 1.698689  -0.8436737     3.397378 
1 1 1 -4  3  10 o 174.0685 1.924653  -0.3313293     3.849306 
1 1 1 -4  3  11 o 182.9710 1.990736  3.555206       3.981472 
1 1 1 -4  3  12 o 109.9097 1.492081  2.250847       2.984162 
1 1 1 -4  3  13 o 328.1919 3.897361  0.1849670      7.794723 
1 1 1 -4  3  14 o 148.7315 2.239083  -0.4527893     4.478166 
1 1 1 -4  3  15 o 179.0566 2.718132  -4.773041      5.436264 
1 1 1 -4  3  16 o 50.02948 2.464883  -7.017731      4.929765 
1 1 1 -4  3  17 o 149.9666 1.818325  -1.430054      3.636649 
1 1 1 -4  3  18 f 179.3199 2.020971  -1.711075      4.041943 
1 1 1 -4  3  19 o 175.4738 2.002128  -2.606720      4.004255 
1 1 1 -4  3  20 o 96.21623 1.619704  -4.577499      3.239407 
1 1 1 -4  3  21 o 200.2017 2.209493  -7.642441      4.418986 
1 1 1 -4  3  22 f 212.6245 2.326639  5.850876       4.653278 
1 1 1 -4  3  23 o 105.9015 2.319705  -5.435707      4.639410 
1 1 1 -4  3  24 o 47.85289 1.968963  -1.923855      3.937926 
1 1 1 -4  3  25 o 61.00522 2.466701  0.3379822      4.933402 
1 1 1 -4  3  26 o 42.38767 2.692024  -11.74757      5.384048 
1 1 1 -4  3  27 o 102.5008 1.908542  -1.016754      3.817084 
1 1 1 -4  3  28 o 134.3215 2.055007  -6.133911      4.110013 
1 1 1 -4  3  29 o 30.06572 3.905647  -5.628691      7.811294 
1 1 1 -4  3  30 o 58.30539 2.418464  3.167141       4.836928 
1 1 1 -4  3  31 o 84.25874 5.435196  ?              ?        
1 1 1 -4  3  32 o 23.45815 4.373987  0.2430935      8.747973 
1 1 1 -4  3  33 o 70.77390 2.947275  -6.562271      5.894550 
1 1 1 -4  3  34 o 21.90910 4.232664  -0.8629131     8.465327 
1 1 1 -4  3  35 o 35.11788 4.391214  ?              ?        
1 1 1 -4  3  36 o 26.54415 3.811655  -4.144217      7.623310 
1 1 1 -4  4  1  o 357.8204 6.893670  ?              ?        
1 1 1 -4  4  2  o 320.3677 3.863050  4.785583       7.726099 
1 1 1 -4  4  3  o 100.0604 1.707731  -4.567123      3.415462 
1 1 1 -4  4  4  o 358.6014 6.975853  ?              ?        
1 1 1 -4  4  5  o 239.2352 3.492883  1.262634       6.985765 
1 1 1 -4  4  6  o 343.9520 3.382569  -0.6855469     6.765137 
1 1 1 -4  4  7  o 138.8134 1.715897  -3.534805      3.431794 
1 1 1 -4  4  8  o 178.3237 2.013536  -4.501328      4.027072 
1 1 1 -4  4  9  o 270.6606 2.756202  -6.378632      5.512405 
1 1 1 -4  4  10 o 127.7546 1.679253  -6.265320      3.358506 
1 1 1 -4  4  11 o 124.9755 1.674665  -4.562675      3.349330 
1 1 1 -4  4  12 o 154.7167 1.858534  -1.340973      3.717068 
1 1 1 -4  4  13 o 135.8623 2.479093  -1.337662      4.958186 
1 1 1 -4  4  14 o 310.1331 3.102870  7.200531       6.205740 
1 1 1 -4  4  15 o 158.8483 2.618821  -2.158768      5.237642 
1 1 1 -4  4  16 o 210.4965 2.305676  -9.952194      4.611352 
1 1 1 -4  4  17 o 155.5661 1.922405  5.806183       3.844810 
1 1 1 -4  4  18 o 109.0007 1.713004  2.278320       3.426009 
1 1 1 -4  4  19 o 117.0826 1.734701  -1.381149      3.469401 
1 1 1 -4  4  20 o 185.1709 2.132636  -3.533157      4.265272 
1 1 1 -4  4  21 o 73.24339 1.708412  -6.312576      3.416823 
1 1 1 -4  4  22 o 123.2988 2.045896  -2.116173      4.091793 
1 1 1 -4  4  23 o 100.6541 2.386060  -4.604469      4.772120 
1 1 1 -4  4  24 o 51.65125 2.472973  7.654671       4.945946 
1 1 1 -4  4  25 o 43.25608 2.552466  -0.8507271     5.104932 
1 1 1 -4  4  26 o 85.41179 1.911451  5.361900       3.822903 
1 1 1 -4  4  27 o 122.0326 1.994162  5.824516       3.988323 
1 1 1 -4  4  28 o 61.61683 2.275205  9.050716       4.550410 
1 1 1 -4  4  29 o 88.32249 2.192434  -5.270149      4.384869 
1 1 1 -4  4  30 o 15.56210 4.446405  1.710255       8.892811 
1 1 1 -4  4  31 o 59.78050 3.587301  -3.546642      7.174603 
1 1 1 -4  4  32 o 68.87898 3.661381  ?              ?        
1 1 1 -4  4  33 o 33.36774 3.824225  -18.86291      7.648451 
1 1 1 -4  4  34 o 45.47358 3.310146  -34.41758      6.620293 
1 1 1 -4  4  35 o 26.37880 4.132510  -4.004974      8.265019 
1 1 1 -4  4  36 o 20.75984 4.298728  -9.007187      8.597456 
1 1 1 -4  5  1  o 82.14246 1.795006  -9.361748      3.590012 
1 1 1 -4  5  2  o 447.0232 8.579998  ?              ?        
1 1 1 -4  5  3  o 146.0067 3.439454  ?              ?        
1 1 1 -4  5  4  o 366.8601 4.281909  -23.09308      8.563817 
1 1 1 -4  5  5  o 68.84605 2.092552  -6.874664      4.185105 
1 1 1 -4  5  6  o 250.6709 3.192420  3.959839       6.384840 
1 1 1 -4  5  7  o 192.3942 2.160158  -5.321838      4.320317 
1 1 1 -4  5  8  o 141.5711 1.822761  -7.709000      3.645523 
1 1 1 -4  5  9  o 301.2145 3.057355  1.010376       6.114711 
1 1 1 -4  5  10 o 269.7164 2.795176  -9.125244      5.590352 
1 1 1 -4  5  11 o 293.1229 2.993674  2.835419       5.987348 
1 1 1 -4  5  12 o 501.6048 6.848330  -9.248352      13.69666 
1 1 1 -4  5  13 o 135.8795 1.845328  -0.1476898     3.690656 
1 1 1 -4  5  14 o 336.3065 4.172142  3.962036       8.344283 
1 1 1 -4  5  15 o 219.5640 3.466683  -1.248367      6.933366 
1 1 1 -4  5  16 f 146.9033 1.960003  4.133682       3.920007 
1 1 1 -4  5  17 o 76.40405 1.856614  -3.050858      3.713228 
1 1 1 -4  5  18 o 84.19841 1.863089  0.6328583E-01  3.726178 
1 1 1 -4  5  19 o 103.1010 1.798414  1.589371       3.596828 
1 1 1 -4  5  20 o 80.17865 1.817896  -3.866264      3.635792 
1 1 1 -4  5  21 o 92.17088 1.811065  -12.22302      3.622130 
1 1 1 -4  5  22 o 76.50955 2.497062  6.422615       4.994123 
1 1 1 -4  5  23 o 149.9943 2.015911  2.449814       4.031822 
1 1 1 -4  5  24 o 25.28539 3.709670  1.801966       7.419341 
1 1 1 -4  5  25 o 64.06495 2.036813  2.404026       4.073626 
1 1 1 -4  5  26 o 47.85533 2.431235  4.876560       4.862470 
1 1 1 -4  5  27 o 25.25298 4.276402  14.82472       8.552803 
1 1 1 -4  5  28 o 82.99062 2.192059  5.491493       4.384117 
1 1 1 -4  5  29 o 83.96851 2.316154  -4.297737      4.632308 
1 1 1 -4  5  30 o 60.12650 3.021816  -8.340836      6.043631 
1 1 1 -4  5  31 o 58.59466 3.279073  5.236126       6.558146 
1 1 1 -4  5  32 o 58.47106 5.375238  ?              ?        
1 1 1 -4  5  33 o 68.29831 2.663169  -24.46310      5.326337 
1 1 1 -4  5  34 o 14.36542 4.146698  3.713060       8.293397 
1 1 1 -4  5  35 o 44.94999 2.778370  -14.20155      5.556739 
1 1 1 -4  5  36 o 10.09364 3.368989  -1.152755      6.737978 
1 1 1 -4  6  1  o 172.0565 2.718858  -4.081406      5.437716 
1 1 1 -4  6  2  o 85.43849 2.003877  -8.713097      4.007754 
1 1 1 -4  6  3  o 73.71274 1.999956  -2.330391      3.999911 
1 1 1 -4  6  4  o 101.7261 2.196390  -1.709671      4.392780 
1 1 1 -4  6  5  o 189.4026 3.096397  -9.771515      6.192793 
1 1 1 -4  6  6  o 47.86692 2.480186  -1.962341      4.960372 
1 1 1 -4  6  7  o 137.7939 2.201535  -8.686264      4.403069 
1 1 1 -4  6  8  o 130.8738 1.844378  1.064285       3.688757 
1 1 1 -4  6  9  o 215.2827 2.410628  -4.164398      4.821256 
1 1 1 -4  6  10 o 203.5232 2.833149  -4.047043      5.666299 
1 1 1 -4  6  11 o 261.4236 3.386505  -2.887543      6.773009 
1 1 1 -4  6  12 o 394.0886 3.905365  -3.805389      7.810729 
1 1 1 -4  6  13 o 167.0551 2.653709  4.243286       5.307419 
1 1 1 -4  6  14 o 176.0615 2.692290  -6.375397      5.384581 
1 1 1 -4  6  15 o 145.0958 2.032002  2.504715       4.064004 
1 1 1 -4  6  16 o 170.8228 2.162002  -2.847351      4.324004 
1 1 1 -4  6  17 o 144.9436 2.042554  0.7600098      4.085109 
1 1 1 -4  6  18 o 154.9151 2.082054  0.4076385      4.164107 
1 1 1 -4  6  19 o 89.71634 1.897183  9.383545       3.794366 
1 1 1 -4  6  20 o 106.8687 1.894442  2.798882       3.788884 
1 1 1 -4  6  21 o 69.50162 2.059285  0.4496002E-01  4.118570 
1 1 1 -4  6  22 o 119.0145 1.929461  1.410225       3.858921 
1 1 1 -4  6  23 o 132.8737 2.590413  2.397003       5.180825 
1 1 1 -4  6  24 o 96.27364 2.366308  -0.4642487E-01 4.732615 
1 1 1 -4  6  25 o 69.10201 2.147395  -5.047035      4.294790 
1 1 1 -4  6  26 o 90.08615 2.079114  7.930672       4.158227 
1 1 1 -4  6  27 o 59.71741 2.598043  -8.396297      5.196087 
1 1 1 -4  6  28 o 41.01360 3.364540  -0.7282486     6.729080 
1 1 1 -4  6  29 o 61.04979 2.791327  -10.42146      5.582655 
1 1 1 -4  6  30 o 13.15076 4.105785  0.8772039      8.211571 
1 1 1 -4  6  31 o 36.56340 4.777524  -13.57021      9.555048 
1 1 1 -4  6  32 o 62.61912 2.622752  -29.15351      5.245504 
1 1 1 -4  6  33 o 16.27539 4.399018  4.158266       8.798036 
1 1 1 -4  6  34 o 34.59324 4.650718  ?              ?        
1 1 1 -4  6  35 o 17.10265 4.516922  -2.436219      9.033843 
1 1 1 -4  6  36 o 37.30168 3.353993  -9.625404      6.707987 
1 1 1 -4  7  1  f 210.0159 3.199375  -5.025574      6.398750 
1 1 1 -4  7  2  o 170.5291 2.799235  -6.096298      5.598470 
1 1 1 -4  7  3  o 110.0767 2.289121  5.127876       4.578242 
1 1 1 -4  7  4  o 85.54309 2.211772  -1.414986      4.423543 
1 1 1 -4  7  5  o 115.8304 3.403259  ?              ?        
1 1 1 -4  7  6  o 42.95139 2.981817  -1.303276      5.963634 
1 1 1 -4  7  7  o 462.6534 5.532789  -2.433838      11.06558 
1 1 1 -4  7  8  o 103.9831 2.195026  5.375313       4.390052 
1 1 1 -4  7  9  o 389.5207 5.506008  20.53674       11.01202 
1 1 1 -4  7  10 o 425.8542 5.151394  -0.5737305     10.30279 
1 1 1 -4  7  11 o 284.2239 3.007389  -1.563446      6.014777 
1 1 1 -4  7  12 o 162.6099 2.753093  2.365128       5.506186 
1 1 1 -4  7  13 o 139.8540 2.491905  3.740311       4.983809 
1 1 1 -4  7  14 f 228.6797 3.704816  6.586929       7.409632 
1 1 1 -4  7  15 o 141.1474 2.112710  -2.976456      4.225420 
1 1 1 -4  7  16 o 75.54916 2.182897  11.14792       4.365795 
1 1 1 -4  7  17 o 116.7282 2.071194  -4.173859      4.142388 
1 1 1 -4  7  18 o 67.90347 2.216287  -0.7495499     4.432574 
1 1 1 -4  7  19 o 79.67434 2.079969  -1.216736      4.159937 
1 1 1 -4  7  20 o 74.53096 2.169147  0.5478668      4.338294 
1 1 1 -4  7  21 o 48.76593 3.074949  3.038948       6.149897 
1 1 1 -4  7  22 o 67.76192 2.748122  2.993088       5.496245 
1 1 1 -4  7  23 o 137.5799 2.570437  1.405151       5.140873 
1 1 1 -4  7  24 o 15.31017 4.271670  4.770753       8.543340 
1 1 1 -4  7  25 o 67.37785 2.329777  -9.115887      4.659554 
1 1 1 -4  7  26 o 93.66762 2.186359  -8.669846      4.372717 
1 1 1 -4  7  27 o 92.76114 2.349416  -7.033981      4.698833 
1 1 1 -4  7  28 o 68.85223 2.595423  -0.6429291     5.190845 
1 1 1 -4  7  29 o 47.10992 3.556169  -16.72869      7.112338 
1 1 1 -4  7  30 o 51.51840 3.928487  -7.722729      7.856975 
1 1 1 -4  7  31 o 37.32922 3.813901  -13.90185      7.627802 
1 1 1 -4  7  32 o 27.16829 4.509264  -12.75350      9.018529 
1 1 1 -4  7  33 o 53.53574 3.854960  ?              ?        
1 1 1 -4  7  34 f 34.91479 3.685932  -29.54866      7.371864 
1 1 1 -4  7  35 f 16.91539 4.404319  -6.023479      8.808639 
1 1 1 -4  8  1  o 134.6217 2.500065  -2.425018      5.000130 
1 1 1 -4  8  2  o 158.9967 2.741066  -2.555054      5.482132 
1 1 1 -4  8  3  o 156.0827 2.736607  -2.643890      5.473215 
1 1 1 -4  8  4  o 150.9091 2.713415  -5.388596      5.426829 
1 1 1 -4  8  5  o 154.5766 3.950813  ?              ?        
1 1 1 -4  8  6  o 351.2001 7.088569  ?              ?        
1 1 1 -4  8  7  o 247.1301 3.870703  1.580078       7.741407 
1 1 1 -4  8  8  o 94.68500 2.281792  0.9415207      4.563584 
1 1 1 -4  8  9  o 344.9005 4.287862  -5.294464      8.575725 
1 1 1 -4  8  10 o 160.5792 3.007275  ?              ?        
1 1 1 -4  8  11 o 226.1172 3.659623  3.253326       7.319246 
1 1 1 -4  8  12 o 460.7875 5.611047  4.416687       11.22209 
1 1 1 -4  8  13 f 147.6507 2.183593  0.6038513      4.367186 
1 1 1 -4  8  14 o 270.2615 4.192442  2.594818       8.384885 
1 1 1 -4  8  15 o 59.18831 2.605686  5.650314       5.211373 
1 1 1 -4  8  16 o 58.61428 3.168679  ?              ?        
1 1 1 -4  8  17 o 38.65820 3.395706  -5.086166      6.791412 
1 1 1 -4  8  18 o 271.7363 2.990607  7.216583       5.981214 
1 1 1 -4  8  19 o 21.06042 4.601142  1.162224       9.202285 
1 1 1 -4  8  20 o 29.03493 4.377330  18.71676       8.754661 
1 1 1 -4  8  21 o 105.0630 2.692306  -0.1437302     5.384612 
1 1 1 -4  8  22 o 20.79047 4.926735  4.931082       9.853470 
1 1 1 -4  8  23 o 86.83640 2.126291  4.869812       4.252583 
1 1 1 -4  8  24 o 159.4942 2.326241  8.059021       4.652483 
1 1 1 -4  8  25 o 46.14828 2.932100  5.323311       5.864200 
1 1 1 -4  8  26 o 98.07999 2.292225  -4.812157      4.584450 
1 1 1 -4  8  27 o 35.52755 4.305030  -8.908287      8.610061 
1 1 1 -4  8  28 o 51.55854 3.334212  0.6360550      6.668424 
1 1 1 -4  8  29 o 42.36810 5.205709  -17.68211      10.41142 
1 1 1 -4  8  30 o 26.61985 4.382015  -16.56396      8.764030 
1 1 1 -4  8  31 o 77.82638 2.787443  -21.22433      5.574886 
1 1 1 -4  8  32 o 65.22369 2.513440  -34.71402      5.026880 
1 1 1 -4  8  33 o 53.09531 2.543377  -27.39550      5.086754 
1 1 1 -4  8  34 o 30.25616 3.925537  -22.06248      7.851074 
1 1 1 -4  8  35 o 12.62057 4.083295  -3.167126      8.166590 
1 1 1 -4  9  1  o 224.6494 3.490070  -17.87695      6.980141 
1 1 1 -4  9  2  o 275.3939 4.078218  -9.581970      8.156436 
1 1 1 -4  9  3  o 375.4718 5.306115  -1.463959      10.61223 
1 1 1 -4  9  4  o 116.5495 3.658453  ?              ?        
1 1 1 -4  9  5  o 194.9758 4.610126  ?              ?        
1 1 1 -4  9  6  o 164.0549 4.254299  ?              ?        
1 1 1 -4  9  7  o 369.5416 5.284962  -9.604706      10.56992 
1 1 1 -4  9  8  o 328.2290 4.829729  ?              ?        
1 1 1 -4  9  9  o 282.6073 4.287615  -1.882080      8.575230 
1 1 1 -4  9  10 o 105.6137 2.507339  -2.166824      5.014677 
1 1 1 -4  9  11 o 72.39355 2.818619  10.45338       5.637237 
1 1 1 -4  9  12 o 561.7969 6.749546  1.657532       13.49909 
1 1 1 -4  9  13 o 368.2734 4.725144  11.56662       9.450288 
1 1 1 -4  9  14 o 187.3315 3.028290  4.882385       6.056581 
1 1 1 -4  9  15 o 182.0225 3.052145  11.84840       6.104290 
1 1 1 -4  9  16 o 96.27236 2.269461  0.1174164      4.538922 
1 1 1 -4  9  17 o 23.70615 4.770214  12.75936       9.540428 
1 1 1 -4  9  18 o 125.2486 2.225851  -3.394440      4.451702 
1 1 1 -4  9  19 o 81.51086 2.716529  7.387375       5.433058 
1 1 1 -4  9  20 o 102.6792 2.875004  0.7238998      5.750008 
1 1 1 -4  9  21 o 76.71251 2.793645  -5.579185      5.587291 
1 1 1 -4  9  22 o 141.1470 2.262908  -0.4434357     4.525817 
1 1 1 -4  9  23 o 43.45418 3.026667  ?              ?        
1 1 1 -4  9  24 o 89.10805 2.326137  1.335884       4.652275 
1 1 1 -4  9  25 o 108.1395 2.346554  -1.015137      4.693108 
1 1 1 -4  9  26 o 21.40650 4.703177  -4.549145      9.406355 
1 1 1 -4  9  27 f 108.2373 2.668368  -6.181328      5.336737 
1 1 1 -4  9  28 o 28.86121 4.559490  -7.384727      9.118980 
1 1 1 -4  9  29 f 89.18802 3.315725  -14.07777      6.631449 
1 1 1 -4  9  30 o 47.09904 2.946401  -1.231533      5.892802 
1 1 1 -4  9  31 o 18.70969 4.685144  5.090572       9.370288 
1 1 1 -4  9  32 o 27.97575 3.973823  -5.600407      7.947646 
1 1 1 -4  9  33 o 15.02246 4.385106  -2.756129      8.770211 
1 1 1 -4  9  34 o 15.43200 4.545918  -5.305737      9.091835 
1 1 1 -4  9  35 o 19.17669 4.959340  -19.69733      9.918680 
1 1 1 -4  10 1  o 311.0559 6.402262  ?              ?        
1 1 1 -4  10 2  o 68.78022 2.539711  2.288681       5.079422 
1 1 1 -4  10 3  o 142.3432 2.809736  7.452194       5.619473 
1 1 1 -4  10 4  o 188.8998 3.238608  -3.849411      6.477217 
1 1 1 -4  10 5  o 75.91056 3.766072  ?              ?        
1 1 1 -4  10 6  x ?        ?         ?              ?        
1 1 1 -4  10 7  o 285.7350 4.352910  6.641083       8.705820 
1 1 1 -4  10 8  o 123.6750 2.901834  -12.17686      5.803668 
1 1 1 -4  10 9  o 192.4493 2.990397  1.761139       5.980794 
1 1 1 -4  10 10 o 140.8824 2.704859  2.689224       5.409719 
1 1 1 -4  10 11 o 244.0023 3.474242  1.405823       6.948483 
1 1 1 -4  10 12 o 85.79137 3.081520  -12.93699      6.163040 
1 1 1 -4  10 13 o 213.7281 3.291376  6.016220       6.582753 
1 1 1 -4  10 14 o 113.5992 2.886009  9.496422       5.772017 
1 1 1 -4  10 15 o 64.34702 3.201291  11.37835       6.402582 
1 1 1 -4  10 16 o 71.43117 3.330789  -0.2709351     6.661579 
1 1 1 -4  10 17 o 162.1115 2.955545  5.213333       5.911089 
1 1 1 -4  10 18 o 82.97244 2.884832  -2.303970      5.769664 
1 1 1 -4  10 19 o 185.8010 3.305927  ?              ?        
1 1 1 -4  10 20 o 42.66969 3.680770  10.25220       7.361540 
1 1 1 -4  10 21 o 77.20557 2.389766  5.064758       4.779532 
1 1 1 -4  10 22 o 117.5012 2.318188  -10.68666      4.636376 
1 1 1 -4  10 23 o 133.4167 2.376181  -0.3725281     4.752361 
1 1 1 -4  10 24 o 45.85838 3.387227  -5.556267      6.774453 
1 1 1 -4  10 25 x ?        ?         ?              ?        
1 1 1 -4  10 26 f 56.61944 3.338665  -3.886421      6.677331 
1 1 1 -4  10 27 o 64.50349 2.901433  13.96404       5.802867 
1 1 1 -4  10 28 o 74.52231 3.735228  9.029060       7.470455 
1 1 1 -4  10 29 o 51.80639 3.051071  -10.72160      6.102142 
1 1 1 -4  10 30 o 21.61879 4.960519  -10.12164      9.921038 
1 1 1 -4  10 31 o 14.12525 3.917722  -7.766985      7.835444 
1 1 1 -4  10 32 o 21.16954 3.859863  -18.62612      7.719727 
1 1 1 -4  10 33 o 26.18360 4.044147  -21.62772      8.088293 
1 1 1 -4  10 34 o 29.80697 5.376232  -20.34372      10.75246 
1 1 1 -4  11 1  o 202.4831 4.801723  ?              ?        
1 1 1 -4  11 2  o 406.5288 8.133615  ?              ?        
1 1 1 -4  11 3  o 300.5182 4.475432  -17.67825      8.950864 
1 1 1 -4  11 4  o 153.3953 3.008882  -6.669037      6.017763 
1 1 1 -4  11 5  o 155.5046 3.095094  -4.158981      6.190189 
1 1 1 -4  11 6  o 239.7547 5.522413  ?              ?        
1 1 1 -4  11 7  o 381.7170 5.523219  -1.286407      11.04644 
1 1 1 -4  11 8  o 197.6448 3.501780  3.509933       7.003560 
1 1 1 -4  11 9  o 160.0595 3.247319  -4.932129      6.494638 
1 1 1 -4  11 10 o 161.9330 2.924632  2.275238       5.849263 
1 1 1 -4  11 11 o 228.6730 3.399334  -1.037064      6.798669 
1 1 1 -4  11 12 o 85.20451 3.138204  7.577179       6.276409 
1 1 1 -4  11 13 o 294.2259 4.053959  8.545837       8.107918 
1 1 1 -4  11 14 o 93.15474 3.434039  11.22965       6.868078 
1 1 1 -4  11 15 o 26.40582 5.475629  12.65541       10.95126 
1 1 1 -4  11 16 o 157.5658 3.039677  14.15622       6.079353 
1 1 1 -4  11 17 o 186.6051 3.444954  ?              ?        
1 1 1 -4  11 18 o 116.7195 2.860725  0.6580811      5.721450 
1 1 1 -4  11 19 o 124.2558 3.315488  4.207436       6.630977 
1 1 1 -4  11 20 o 242.5506 3.665671  6.001038       7.331341 
1 1 1 -4  11 21 o 85.10168 3.015921  4.439507       6.031841 
1 1 1 -4  11 22 o 152.6189 3.053722  2.737122       6.107444 
1 1 1 -4  11 23 o 116.2362 3.036075  -2.846924      6.072150 
1 1 1 -4  11 24 o 99.07999 3.216312  -5.499870      6.432624 
1 1 1 -4  11 25 o 28.12460 6.025937  -5.522680      12.05187 
1 1 1 -4  11 26 o 34.93901 5.490328  0.9054108      10.98066 
1 1 1 -4  11 27 o 40.35741 5.533759  -22.47474      11.06752 
1 1 1 -4  11 28 o 29.20872 4.585233  -1.255472      9.170465 
1 1 1 -4  11 29 o 42.92049 4.086490  2.017544       8.172980 
1 1 1 -4  11 30 o 67.15053 3.687653  -12.58667      7.375306 
1 1 1 -4  11 31 o 29.18285 3.884897  -20.97902      7.769794 
1 1 1 -4  11 32 o 24.15076 3.931120  -21.81749      7.862239 
1 1 1 -4  11 33 o 37.03083 4.173734  -23.52174      8.347467 
1 1 1 -4  11 34 o 26.45059 4.189601  -18.78335      8.379202 
1 1 1 -4  12 1  o 87.85332 2.810843  3.381081       5.621686 
1 1 1 -4  12 2  o 161.2767 3.108308  9.479553       6.216616 
1 1 1 -4  12 3  o 144.8016 3.023843  6.942337       6.047686 
1 1 1 -4  12 4  o 171.0550 3.244720  5.872375       6.489439 
1 1 1 -4  12 5  o 215.1009 3.720661  -7.925873      7.441321 
1 1 1 -4  12 6  o 121.4885 4.371648  ?              ?        
1 1 1 -4  12 7  o 214.3504 3.780417  8.919479       7.560834 
1 1 1 -4  12 8  o 314.9364 4.788877  1.311981       9.577754 
1 1 1 -4  12 9  o 286.5612 4.494264  -6.492737      8.988527 
1 1 1 -4  12 10 o 22.33548 5.873926  5.508440       11.74785 
1 1 1 -4  12 11 o 72.26350 3.291037  1.605240       6.582073 
1 1 1 -4  12 12 o 234.2767 4.121012  -1.981995      8.242023 
1 1 1 -4  12 13 o 85.03704 3.103532  5.778809       6.207065 
1 1 1 -4  12 14 o 146.7944 3.002091  0.7155609      6.004182 
1 1 1 -4  12 15 o 99.94469 3.190888  ?              ?        
1 1 1 -4  12 16 o 34.62548 4.817426  4.542233       9.634851 
1 1 1 -4  12 17 o 18.16856 5.292174  -5.072704      10.58435 
1 1 1 -4  12 18 o 105.4971 2.901845  -3.442543      5.803689 
1 1 1 -4  12 19 o 100.6002 2.995792  9.597183       5.991584 
1 1 1 -4  12 20 o 77.18999 3.141750  -0.4923935     6.283499 
1 1 1 -4  12 21 o 148.2383 3.119336  5.547089       6.238673 
1 1 1 -4  12 22 o 64.07847 3.678390  -2.377277      7.356779 
1 1 1 -4  12 23 o 86.01714 3.288344  -4.073349      6.576688 
1 1 1 -4  12 24 o 74.52242 3.690952  9.295540       7.381903 
1 1 1 -4  12 25 o 58.78228 4.130032  4.526890       8.260064 
1 1 1 -4  12 26 o 10.59769 5.008650  ?              ?        
1 1 1 -4  12 27 o 48.73122 4.407652  4.488987       8.815304 
1 1 1 -4  12 28 o 61.28622 4.426127  -10.63836      8.852255 
1 1 1 -4  12 29 o 65.98908 3.364678  -6.744003      6.729356 
1 1 1 -4  12 30 o 18.83759 4.849101  9.714300       9.698202 
1 1 1 -4  12 31 o 23.13603 4.352565  -12.08844      8.705131 
1 1 1 -4  12 32 o 24.37642 5.138412  -18.11944      10.27682 
1 1 1 -4  12 33 o 14.85191 4.203490  -9.113141      8.406980 
1 1 1 -4  13 1  o 263.5861 4.162297  10.15240       8.324594 
1 1 1 -4  13 2  o 221.0686 3.732604  1.114960       7.465208 
1 1 1 -4  13 3  o 290.9462 4.471275  0.8903503      8.942551 
1 1 1 -4  13 4  o 151.3968 3.241421  6.834717       6.482842 
1 1 1 -4  13 5  o 28.63160 6.036337  -0.8633614     12.07267 
1 1 1 -4  13 6  o 104.5148 4.573071  ?              ?        
1 1 1 -4  13 7  o 104.9115 3.422228  -4.142403      6.844456 
1 1 1 -4  13 8  o 200.8792 3.724066  0.9999847      7.448132 
1 1 1 -4  13 9  o 219.5166 3.991923  -14.56421      7.983846 
1 1 1 -4  13 10 o 248.6022 5.991411  ?              ?        
1 1 1 -4  13 11 o 175.5540 3.186792  2.840851       6.373585 
1 1 1 -4  13 12 o 217.4517 3.431104  0.1823730      6.862209 
1 1 1 -4  13 13 o 201.9025 3.840286  ?              ?        
1 1 1 -4  13 14 o 187.8006 3.283565  7.573807       6.567130 
1 1 1 -4  13 15 o 215.7795 3.952018  -8.354294      7.904035 
1 1 1 -4  13 16 o 191.4332 3.298961  1.271484       6.597922 
1 1 1 -4  13 17 o 98.58768 3.020055  7.983337       6.040111 
1 1 1 -4  13 18 o 56.24638 3.631516  -0.9194183     7.263031 
1 1 1 -4  13 19 o 72.59814 3.243225  -1.250870      6.486450 
1 1 1 -4  13 20 o 46.40701 3.983555  8.296852       7.967110 
1 1 1 -4  13 21 o 183.6029 3.353066  -0.6319580     6.706132 
1 1 1 -4  13 22 o 79.27997 3.783296  -0.9500580     7.566592 
1 1 1 -4  13 23 o 116.1620 3.398055  3.184998       6.796110 
1 1 1 -4  13 24 o 82.24853 3.303529  ?              ?        
1 1 1 -4  13 25 o 56.94347 4.484897  -0.3705254     8.969793 
1 1 1 -4  13 26 o 26.22670 6.119171  18.81486       12.23834 
1 1 1 -4  13 27 o 76.37146 3.594021  -4.282623      7.188041 
1 1 1 -4  13 28 o 76.93619 3.317251  -7.900597      6.634502 
1 1 1 -4  13 29 o 27.22083 4.580397  -13.47233      9.160793 
1 1 1 -4  13 30 o 35.73624 4.267417  -23.76256      8.534834 
1 1 1 -4  13 31 o 25.68837 4.865684  -9.615786      9.731367 
1 1 1 -4  13 32 o 24.42101 4.216560  -16.09965      8.433120 
1 1 1 -4  13 33 o 43.45415 4.447502  ?              ?        
1 1 1 -4  14 1  o 166.3816 4.796124  ?              ?        
1 1 1 -4  14 2  o 64.50134 3.789016  -13.45039      7.578031 
1 1 1 -4  14 3  o 347.6368 5.196605  3.825836       10.39321 
1 1 1 -4  14 4  o 206.9350 3.723473  -0.8193359     7.446946 
1 1 1 -4  14 5  o 149.1467 3.362300  8.136353       6.724601 
1 1 1 -4  14 6  o 104.0205 4.595750  ?              ?        
1 1 1 -4  14 7  o 124.4797 4.830874  ?              ?        
1 1 1 -4  14 8  o 255.5323 4.257301  -2.586884      8.514603 
1 1 1 -4  14 9  o 169.6186 3.539111  -6.586655      7.078221 
1 1 1 -4  14 10 o 93.92045 4.602458  ?              ?        
1 1 1 -4  14 11 o 113.7339 4.642519  ?              ?        
1 1 1 -4  14 12 o 87.13794 3.494826  -4.752251      6.989652 
1 1 1 -4  14 13 o 297.8579 4.762020  7.393860       9.524039 
1 1 1 -4  14 14 o 51.08028 3.732345  18.46118       7.464690 
1 1 1 -4  14 15 o 40.23715 4.938913  -13.00844      9.877826 
1 1 1 -4  14 16 o 73.28788 3.225535  7.959564       6.451070 
1 1 1 -4  14 17 o 142.5001 3.126258  -6.884460      6.252517 
1 1 1 -4  14 18 o 19.47361 5.452826  7.253788       10.90565 
1 1 1 -4  14 19 o 36.88664 5.205494  -8.440113      10.41099 
1 1 1 -4  14 20 o 48.16423 4.797547  -1.798271      9.595094 
1 1 1 -4  14 21 o 58.23844 3.946867  23.32918       7.893733 
1 1 1 -4  14 22 o 51.32124 4.758643  -0.7250214E-01 9.517285 
1 1 1 -4  14 23 o 156.2142 3.500420  ?              ?        
1 1 1 -4  14 24 o 139.1386 3.298207  -13.85524      6.596413 
1 1 1 -4  14 25 o 41.34653 6.110155  -13.87870      12.22031 
1 1 1 -4  14 26 o 98.83810 3.435277  5.818565       6.870553 
1 1 1 -4  14 27 o 35.71973 5.150673  7.376106       10.30135 
1 1 1 -4  14 28 o 60.03527 3.520741  -4.118244      7.041482 
1 1 1 -4  14 29 o 37.01697 4.123792  -27.99465      8.247584 
1 1 1 -4  14 30 o 11.30387 3.749647  3.642719       7.499293 
1 1 1 -4  14 31 o 25.58987 4.601693  0.6757870      9.203385 
1 1 1 -4  14 32 x ?        ?         ?              ?        
1 1 1 -4  15 1  x ?        ?         ?              ?        
1 1 1 -4  15 2  x ?        ?         ?              ?        
1 1 1 -4  15 3  o 110.0640 3.343706  -2.474007      6.687412 
1 1 1 -4  15 4  o 124.1822 3.275243  9.789948       6.550487 
1 1 1 -4  15 5  o 308.5445 4.810094  -3.310608      9.620188 
1 1 1 -4  15 6  o 44.96572 7.301498  ?              ?        
1 1 1 -4  15 7  o 29.67180 8.820222  ?              ?        
1 1 1 -4  15 8  o 136.7093 4.811249  ?              ?        
1 1 1 -4  15 9  o 159.7508 3.548964  -2.700912      7.097929 
1 1 1 -4  15 10 o 180.7415 3.662171  0.7139587E-01  7.324342 
1 1 1 -4  15 11 o 227.7204 4.066675  6.976532       8.133350 
1 1 1 -4  15 12 o 45.77016 4.106177  -4.466759      8.212354 
1 1 1 -4  15 13 o 74.51264 3.608181  5.242615       7.216363 
1 1 1 -4  15 14 o 84.74823 3.187123  2.791832       6.374245 
1 1 1 -4  15 15 o 120.7009 3.122584  5.403145       6.245167 
1 1 1 -4  15 16 o 40.80946 4.853996  -14.88533      9.707992 
1 1 1 -4  15 17 o 89.07361 3.291763  3.826431       6.583526 
1 1 1 -4  15 18 o 33.50068 5.757792  -21.02769      11.51558 
1 1 1 -4  15 19 o 95.30271 3.445673  2.756424       6.891346 
1 1 1 -4  15 20 o 109.1872 3.371646  -10.54949      6.743292 
1 1 1 -4  15 21 o 56.04836 4.415883  ?              ?        
1 1 1 -4  15 22 o 105.0166 3.493400  9.967201       6.986800 
1 1 1 -4  15 23 o 54.61176 5.241798  -7.906040      10.48360 
1 1 1 -4  15 24 o 41.04712 5.436970  -8.921825      10.87394 
1 1 1 -4  15 25 o 29.23496 5.886264  -0.4288006     11.77253 
1 1 1 -4  15 26 o 39.46183 5.146699  -21.64072      10.29340 
1 1 1 -4  15 27 f 17.89656 4.916183  -1.574024      9.832367 
1 1 1 -4  15 28 o 33.81521 4.174143  -1.373425      8.348286 
1 1 1 -4  15 29 o 33.89207 4.492833  -9.487717      8.985665 
1 1 1 -4  15 30 o 26.07904 4.160602  -13.80818      8.321203 
1 1 1 -4  15 31 o 21.06800 4.700792  -2.156096      9.401585 
1 1 1 -4  15 32 o 10.77578 3.589314  0.2065105      7.178629 
1 1 1 -4  16 1  o 74.33677 4.735798  ?              ?        
1 1 1 -4  16 2  o 97.63525 4.677822  ?              ?        
1 1 1 -4  16 3  o 20.46530 8.247748  ?              ?        
1 1 1 -4  16 4  o 68.99255 3.495392  10.68835       6.990784 
1 1 1 -4  16 5  o 99.87331 3.317545  3.772659       6.635090 
1 1 1 -4  16 6  o 103.6950 4.763626  ?              ?        
1 1 1 -4  16 7  o 113.0343 3.427193  13.18772       6.854386 
1 1 1 -4  16 8  o 97.97476 3.490232  -5.714561      6.980465 
1 1 1 -4  16 9  o 25.65107 5.917060  2.516104       11.83412 
1 1 1 -4  16 10 o 72.21396 3.677288  -3.921005      7.354576 
1 1 1 -4  16 11 o 78.01686 3.607970  -1.072327      7.215939 
1 1 1 -4  16 12 o 125.9277 3.441901  -9.216324      6.883802 
1 1 1 -4  16 13 o 17.92543 5.084021  -4.329648      10.16804 
1 1 1 -4  16 14 o 39.22764 4.906948  -6.092831      9.813895 
1 1 1 -4  16 15 o 52.86200 3.962935  -0.5989113     7.925871 
1 1 1 -4  16 16 o 149.0626 3.788177  -10.27574      7.576353 
1 1 1 -4  16 17 o 74.16479 3.685557  -6.692238      7.371113 
1 1 1 -4  16 18 o 84.27921 3.443504  5.587387       6.887008 
1 1 1 -4  16 19 o 73.20813 4.103294  ?              ?        
1 1 1 -4  16 20 o 36.70777 6.022142  6.739555       12.04428 
1 1 1 -4  16 21 o 112.4624 4.109593  -9.492828      8.219186 
1 1 1 -4  16 22 o 26.83837 6.473812  5.547419       12.94762 
1 1 1 -4  16 23 o 106.8252 3.531420  -3.111588      7.062839 
1 1 1 -4  16 24 o 55.45332 4.138788  -0.9113388     8.277576 
1 1 1 -4  16 25 o 49.24419 4.625351  -9.505848      9.250702 
1 1 1 -4  16 26 o 31.54293 5.135958  8.621708       10.27192 
1 1 1 -4  16 27 o 22.00872 4.741723  -15.87005      9.483446 
1 1 1 -4  16 28 o 21.60881 4.881674  -4.135368      9.763348 
1 1 1 -4  16 29 o 36.21213 4.556189  ?              ?        
1 1 1 -4  16 30 o 27.08368 4.084203  -17.14987      8.168406 
1 1 1 -4  16 31 o 14.70216 4.272158  4.075095       8.544316 
1 1 1 -4  17 1  o 78.52323 4.836735  ?              ?        
1 1 1 -4  17 2  o 55.03929 5.385524  ?              ?        
1 1 1 -4  17 3  o 59.02970 5.616332  ?              ?        
1 1 1 -4  17 4  o 54.89342 3.831930  -2.531040      7.663859 
1 1 1 -4  17 5  o 204.4360 3.872808  2.511017       7.745616 
1 1 1 -4  17 6  o 189.3556 5.310609  ?              ?        
1 1 1 -4  17 7  o 83.45169 4.998042  ?              ?        
1 1 1 -4  17 8  o 133.3696 3.455674  1.646530       6.911348 
1 1 1 -4  17 9  f 37.40492 5.553009  7.249195       11.10602 
1 1 1 -4  17 10 o 127.9896 3.513082  5.438766       7.026164 
1 1 1 -4  17 11 o 47.35967 4.803234  -3.062309      9.606468 
1 1 1 -4  17 12 f 189.8640 3.896908  -5.073837      7.793815 
1 1 1 -4  17 13 o 83.39906 3.869258  -1.282394      7.738516 
1 1 1 -4  17 14 o 80.02374 4.245029  -11.37813      8.490058 
1 1 1 -4  17 15 o 81.89749 3.560207  9.398521       7.120413 
1 1 1 -4  17 16 o 27.06381 6.189420  4.711737       12.37884 
1 1 1 -4  17 17 o 134.0996 3.789245  ?              ?        
1 1 1 -4  17 18 o 69.09900 4.005198  9.234917       8.010396 
1 1 1 -4  17 19 o 57.60663 5.194195  11.61986       10.38839 
1 1 1 -4  17 20 o 86.93322 3.797485  -2.108582      7.594969 
1 1 1 -4  17 21 o 40.45815 6.045585  9.710255       12.09117 
1 1 1 -4  17 22 o 80.24930 3.821605  4.128220       7.643210 
1 1 1 -4  17 23 o 27.59101 5.884981  -3.729700      11.76996 
1 1 1 -4  17 24 o 27.10719 5.839666  1.919136       11.67933 
1 1 1 -4  17 25 o 37.46232 5.235974  -2.464184      10.47195 
1 1 1 -4  17 26 o 25.28313 5.011634  -3.958406      10.02327 
1 1 1 -4  17 27 o 39.49525 4.150726  -3.923481      8.301452 
1 1 1 -4  17 28 o 24.92168 4.846109  -4.234362      9.692219 
1 1 1 -4  17 29 o 13.90977 4.123731  0.3783617      8.247462 
1 1 1 -4  17 30 o 26.04948 5.147847  2.246210       10.29569 
1 1 1 -4  18 1  o 230.2854 5.814922  ?              ?        
1 1 1 -4  18 2  f 166.1033 5.046653  ?              ?        
1 1 1 -4  18 3  o 67.13349 5.216451  ?              ?        
1 1 1 -4  18 4  o 35.30048 7.826141  ?              ?        
1 1 1 -4  18 5  o 89.48796 3.487097  -20.33191      6.974194 
1 1 1 -4  18 6  o 22.88454 5.826460  -4.024511      11.65292 
1 1 1 -4  18 7  o 62.51288 5.398312  ?              ?        
1 1 1 -4  18 8  o 148.1860 3.624374  14.34859       7.248748 
1 1 1 -4  18 9  o 94.99123 3.653253  1.365181       7.306505 
1 1 1 -4  18 10 o 98.17854 5.229294  ?              ?        
1 1 1 -4  18 11 o 117.0087 5.177338  ?              ?        
1 1 1 -4  18 12 o 80.55070 4.005083  -7.952179      8.010165 
1 1 1 -4  18 13 o 131.4124 3.735382  1.630829       7.470764 
1 1 1 -4  18 14 o 92.36308 4.106281  ?              ?        
1 1 1 -4  18 15 o 43.01134 5.839049  1.158386       11.67810 
1 1 1 -4  18 16 o 84.98952 4.511311  -5.814529      9.022622 
1 1 1 -4  18 17 o 41.03786 6.784782  -1.098042      13.56956 
1 1 1 -4  18 18 o 87.30618 3.761307  -10.53637      7.522614 
1 1 1 -4  18 19 o 48.99760 5.746582  -10.78454      11.49316 
1 1 1 -4  18 20 o 36.08552 5.782761  30.16616       11.56552 
1 1 1 -4  18 21 o 50.72766 4.952633  -5.954914      9.905266 
1 1 1 -4  18 22 o 45.49697 5.352707  -14.91825      10.70541 
1 1 1 -4  18 23 o 38.55436 5.241484  -13.21694      10.48297 
1 1 1 -4  18 24 o 46.95872 3.985249  -10.52445      7.970499 
1 1 1 -4  18 25 o 15.70560 4.712976  1.794610       9.425952 
1 1 1 -4  18 26 o 74.55302 3.424759  ?              ?        
1 1 1 -4  18 27 o 40.70440 3.826208  -15.27610      7.652416 
1 1 1 -4  18 28 o 9.946578 3.374405  2.771646       6.748811 
1 1 1 -4  18 29 o 19.79592 7.150198  ?              ?        
1 1 1 -4  19 1  o 35.76237 8.139933  ?              ?        
1 1 1 -4  19 2  o 166.4697 5.235832  ?              ?        
1 1 1 -4  19 3  o 161.5199 5.190232  ?              ?        
1 1 1 -4  19 4  o 98.27177 5.029690  ?              ?        
1 1 1 -4  19 5  o 97.45601 5.303231  ?              ?        
1 1 1 -4  19 6  o 80.00417 5.237375  ?              ?        
1 1 1 -4  19 7  o 79.94306 5.149156  ?              ?        
1 1 1 -4  19 8  o 74.77774 3.959512  7.362717       7.919024 
1 1 1 -4  19 9  o 82.39524 3.904184  11.95930       7.808367 
1 1 1 -4  19 10 o 101.4122 3.760386  0.4733276      7.520772 
1 1 1 -4  19 11 o 71.83112 5.813424  ?              ?        
1 1 1 -4  19 12 o 86.43701 4.038301  5.703621       8.076601 
1 1 1 -4  19 13 o 48.78384 5.177234  0.2857285      10.35447 
1 1 1 -4  19 14 o 109.5389 3.915464  -3.603569      7.830929 
1 1 1 -4  19 15 o 87.35585 3.765930  0.1334839      7.531860 
1 1 1 -4  19 16 o 21.48286 6.528795  0.3457336      13.05759 
1 1 1 -4  19 17 o 106.8651 3.672437  -0.3064728     7.344875 
1 1 1 -4  19 18 o 47.68221 5.540532  20.43769       11.08106 
1 1 1 -4  19 19 o 26.48926 6.199164  -4.767639      12.39833 
1 1 1 -4  19 20 o 44.75636 5.927457  -21.44292      11.85491 
1 1 1 -4  19 21 o 92.27908 4.175359  12.99508       8.350718 
1 1 1 -4  19 22 o 52.97902 4.331801  -6.512482      8.663602 
1 1 1 -4  19 23 o 49.93956 3.689434  -7.019222      7.378869 
1 1 1 -4  19 24 o 20.16291 6.516386  ?              ?        
1 1 1 -4  19 25 o 60.67254 3.468825  -19.66695      6.937649 
1 1 1 -4  19 26 o 15.46148 4.369638  -0.1244383     8.739277 
1 1 1 -4  19 27 o 18.45199 4.391694  -11.62591      8.783388 
1 1 1 -4  19 28 o 11.19924 3.606048  -1.976681      7.212095 
1 1 1 -4  20 1  o 47.91111 6.447615  ?              ?        
1 1 1 -4  20 2  o 202.8238 5.847849  ?              ?        
1 1 1 -4  20 3  o 95.68330 5.375443  ?              ?        
1 1 1 -4  20 4  o 180.6684 5.562564  ?              ?        
1 1 1 -4  20 5  o 51.05546 6.843419  ?              ?        
1 1 1 -4  20 6  x ?        ?         ?              ?        
1 1 1 -4  20 7  x ?        ?         ?              ?        
1 1 1 -4  20 8  o 45.22944 8.668088  ?              ?        
1 1 1 -4  20 9  o 96.39661 3.947268  11.55048       7.894537 
1 1 1 -4  20 10 o 98.41583 3.946839  -4.847511      7.893677 
1 1 1 -4  20 11 o 106.2641 3.985103  7.396477       7.970207 
1 1 1 -4  20 12 o 134.2452 3.895003  9.296692       7.790007 
1 1 1 -4  20 13 o 106.2051 4.109741  -7.986572      8.219481 
1 1 1 -4  20 14 o 36.69350 6.825723  -1.921234      13.65145 
1 1 1 -4  20 15 o 141.0963 3.562556  -3.905624      7.125112 
1 1 1 -4  20 16 o 128.4537 4.463326  7.319252       8.926652 
1 1 1 -4  20 17 o 41.85479 6.019335  4.299488       12.03867 
1 1 1 -4  20 18 o 27.66397 6.659774  3.735807       13.31955 
1 1 1 -4  20 19 o 42.12224 6.533778  -1.692974      13.06756 
1 1 1 -4  20 20 o 64.60460 6.914464  ?              ?        
1 1 1 -4  20 21 o 58.77330 3.894064  6.283394       7.788128 
1 1 1 -4  20 22 o 38.83837 5.049561  ?              ?        
1 1 1 -4  20 23 o 34.43069 4.833103  9.523716       9.666205 
1 1 1 -4  20 24 o 50.64736 3.354284  -2.707100      6.708567 
1 1 1 -4  20 25 f 14.64961 4.351326  -5.381451      8.702653 
1 1 1 -4  20 26 o 43.81735 3.330206  -10.93325      6.660411 
1 1 1 -4  20 27 o 20.59832 3.629665  -16.30948      7.259329 
1 1 1 -4  21 1  o 185.2033 3.975860  ?              ?        
1 1 1 -4  21 2  o 151.5919 5.352339  ?              ?        
1 1 1 -4  21 3  x ?        ?         ?              ?        
1 1 1 -4  21 4  x ?        ?         ?              ?        
1 1 1 -4  21 5  x ?        ?         ?              ?        
1 1 1 -4  21 6  x ?        ?         ?              ?        
1 1 1 -4  21 7  x ?        ?         ?              ?        
1 1 1 -4  21 8  o 96.93031 5.869955  ?              ?        
1 1 1 -4  21 9  o 140.9865 3.905226  -12.22702      7.810451 
1 1 1 -4  21 10 o 75.22508 4.297771  -14.01181      8.595543 
1 1 1 -4  21 11 f 98.98595 4.193120  -4.163849      8.386241 
1 1 1 -4  21 12 o 29.14519 7.060419  7.160311       14.12084 
1 1 1 -4  21 13 o 69.65167 4.674986  7.273430       9.349972 
1 1 1 -4  21 14 o 88.53462 4.369742  -7.359383      8.739484 
1 1 1 -4  21 15 o 42.80168 6.880030  8.807747       13.76006 
1 1 1 -4  21 16 o 31.71197 6.807508  17.90414       13.61502 
1 1 1 -4  21 17 o 59.72314 5.538769  -6.621311      11.07754 
1 1 1 -4  21 18 o 30.59006 5.920041  -6.272390      11.84008 
1 1 1 -4  21 19 o 51.67185 4.733699  ?              ?        
1 1 1 -4  21 20 o 34.69553 5.385652  16.26922       10.77130 
1 1 1 -4  21 21 o 38.71844 4.742631  -5.831909      9.485263 
1 1 1 -4  21 22 o 51.42907 4.215874  13.41360       8.431747 
1 1 1 -4  21 23 o 34.58241 4.051390  -5.039146      8.102780 
1 1 1 -4  21 24 o 14.20500 4.065039  -4.657137      8.130077 
1 1 1 -4  21 25 o 22.78478 4.502876  -3.263590      9.005752 
1 1 1 -4  21 26 o 14.88258 4.302312  -1.397182      8.604624 
1 1 1 -4  22 1  o 45.29840 5.844251  ?              ?        
1 1 1 -4  22 2  o 164.6959 5.651713  ?              ?        
1 1 1 -4  22 3  x ?        ?         ?              ?        
1 1 1 -4  22 4  x ?        ?         ?              ?        
1 1 1 -4  22 5  x ?        ?         ?              ?        
1 1 1 -4  22 6  x ?        ?         ?              ?        
1 1 1 -4  22 7  x ?        ?         ?              ?        
1 1 1 -4  22 8  x ?        ?         ?              ?        
1 1 1 -4  22 9  o 87.61234 4.209148  -4.459923      8.418297 
1 1 1 -4  22 10 o 67.88800 5.167391  21.53266       10.33478 
1 1 1 -4  22 11 o 43.68629 6.717426  1.035770       13.43485 
1 1 1 -4  22 12 o 48.08801 6.165888  8.039703       12.33178 
1 1 1 -4  22 13 o 50.09146 7.469032  ?              ?        
1 1 1 -4  22 14 o 82.83361 4.496837  -12.54987      8.993674 
1 1 1 -4  22 15 o 44.05005 6.242456  -6.609165      12.48491 
1 1 1 -4  22 16 o 60.60409 5.445281  -4.954918      10.89056 
1 1 1 -4  22 17 o 35.00096 6.831484  ?              ?        
1 1 1 -4  22 18 o 28.68671 5.374911  -8.965029      10.74982 
1 1 1 -4  22 19 o 79.19233 3.870409  -6.709106      7.740819 
1 1 1 -4  22 20 o 49.81154 3.839884  7.695587       7.679768 
1 1 1 -4  22 21 o 31.52311 4.735209  -7.121071      9.470419 
1 1 1 -4  22 22 o 15.63842 4.395676  -2.289659      8.791351 
1 1 1 -4  22 23 o 17.11246 4.323926  -5.552716      8.647853 
1 1 1 -4  22 24 o 18.28260 4.424464  -4.660223      8.848927 
1 1 1 -4  22 25 o 28.58107 5.396301  -10.33697      10.79260 
1 1 1 -4  23 1  o 28.59441 7.810736  ?              ?        
1 1 1 -4  23 2  o 77.15355 6.108330  ?              ?        
1 1 1 -4  23 3  x ?        ?         ?              ?        
1 1 1 -4  23 4  x ?        ?         ?              ?        
1 1 1 -4  23 5  x ?        ?         ?              ?        
1 1 1 -4  23 6  x ?        ?         ?              ?        
1 1 1 -4  23 7  x ?        ?         ?              ?        
1 1 1 -4  23 8  x ?        ?         ?              ?        
1 1 1 -4  23 9  x ?        ?         ?              ?        
1 1 1 -4  23 10 o 14.55740 7.038757  ?              ?        
1 1 1 -4  23 11 o 58.87303 5.194663  -11.10902      10.38933 
1 1 1 -4  23 12 o 137.2002 4.024410  -5.186325      8.048820 
1 1 1 -4  23 13 o 16.72568 7.714949  ?              ?        
1 1 1 -4  23 14 o 37.17303 8.974074  ?              ?        
1 1 1 -4  23 15 o 29.02787 6.485744  1.558815       12.97149 
1 1 1 -4  23 16 o 20.27138 8.380329  ?              ?        
1 1 1 -4  23 17 o 35.88828 5.254498  -6.174335      10.50900 
1 1 1 -4  23 18 o 40.63021 4.640931  -9.229252      9.281861 
1 1 1 -4  23 19 o 72.00917 3.393212  -8.027100      6.786424 
1 1 1 -4  23 20 o 31.31786 4.187871  -0.5648499     8.375741 
1 1 1 -4  23 21 o 14.90215 4.244225  -3.146129      8.488449 
1 1 1 -4  23 22 f 25.79418 4.553080  -1.299526      9.106160 
1 1 1 -4  23 23 o 16.89495 5.008662  -4.089131      10.01732 
1 1 1 -4  23 24 o 19.76935 5.320159  -6.147961      10.64032 
1 1 1 -4  24 1  o 17.95121 8.043758  ?              ?        
1 1 1 -4  24 2  x ?        ?         ?              ?        
1 1 1 -4  24 3  x ?        ?         ?              ?        
1 1 1 -4  24 4  x ?        ?         ?              ?        
1 1 1 -4  24 5  x ?        ?         ?              ?        
1 1 1 -4  24 6  x ?        ?         ?              ?        
1 1 1 -4  24 7  x ?        ?         ?              ?        
1 1 1 -4  24 8  x ?        ?         ?              ?        
1 1 1 -4  24 9  x ?        ?         ?              ?        
1 1 1 -4  24 10 o 44.20353 9.822587  ?              ?        
1 1 1 -4  24 11 o 47.19104 5.937028  7.387688       11.87406 
1 1 1 -4  24 12 o 37.42408 6.446955  16.68792       12.89391 
1 1 1 -4  24 13 o 50.51811 5.230281  -0.2084808     10.46056 
1 1 1 -4  24 14 o 48.72752 4.961099  -0.1300621     9.922197 
1 1 1 -4  24 15 o 53.57777 4.593875  0.7024155      9.187751 
1 1 1 -4  24 16 o 45.25021 7.027194  ?              ?        
1 1 1 -4  24 17 o 20.28819 5.251468  2.187159       10.50294 
1 1 1 -4  24 18 o 13.62327 4.199871  -0.3033075     8.399741 
1 1 1 -4  24 19 o 28.42888 4.571809  -3.458378      9.143619 
1 1 1 -4  24 20 o 31.13637 5.134844  -17.49401      10.26969 
1 1 1 -4  24 21 o 20.87760 5.275156  -10.10308      10.55031 
1 1 1 -4  24 22 o 14.78551 4.596949  -2.393604      9.193898 
1 1 1 -4  25 1  o 41.67598 9.027482  ?              ?        
1 1 1 -4  25 2  o 82.82143 5.925841  ?              ?        
1 1 1 -4  25 3  x ?        ?         ?              ?        
1 1 1 -4  25 4  x ?        ?         ?              ?        
1 1 1 -4  25 5  x ?        ?         ?              ?        
1 1 1 -4  25 6  x ?        ?         ?              ?        
1 1 1 -4  25 7  x ?        ?         ?              ?        
1 1 1 -4  25 8  x ?        ?         ?              ?        
1 1 1 -4  25 9  x ?        ?         ?              ?        
1 1 1 -4  25 10 o 20.91369 8.587979  ?              ?        
1 1 1 -4  25 11 o 29.52314 9.140233  ?              ?        
1 1 1 -4  25 12 o 54.35938 6.064662  ?              ?        
1 1 1 -4  25 13 o 43.86068 4.863135  5.114410       9.726270 
1 1 1 -4  25 14 o 23.43259 5.589265  4.950071       11.17853 
1 1 1 -4  25 15 o 23.67726 5.261967  14.57492       10.52393 
1 1 1 -4  25 16 o 29.32951 7.902458  ?              ?        
1 1 1 -4  25 17 o 22.29667 4.868503  15.17033       9.737006 
1 1 1 -4  25 18 o 18.00831 5.064089  6.556860       10.12818 
1 1 1 -4  25 19 f 27.60971 5.536150  -5.781225      11.07230 
1 1 1 -4  25 20 o 16.82839 7.414902  ?              ?        
1 1 1 -4  26 1  o 58.67751 6.199055  ?              ?        
1 1 1 -4  26 2  f 33.30787 8.204597  ?              ?        
1 1 1 -4  26 3  x ?        ?         ?              ?        
1 1 1 -4  26 4  x ?        ?         ?              ?        
1 1 1 -4  26 5  x ?        ?         ?              ?        
1 1 1 -4  26 6  x ?        ?         ?              ?        
1 1 1 -4  26 7  x ?        ?         ?              ?        
1 1 1 -4  26 8  x ?        ?         ?              ?        
1 1 1 -4  26 9  x ?        ?         ?              ?        
1 1 1 -4  26 10 o 39.54411 6.133905  ?              ?        
1 1 1 -4  26 11 o 45.52539 5.975012  ?              ?        
1 1 1 -4  26 12 o 15.66145 6.672951  ?              ?        
1 1 1 -4  26 13 o 25.16923 6.716482  ?              ?        
1 1 1 -4  26 14 o 14.21540 6.522556  ?              ?        
1 1 1 -4  26 15 o 20.01958 7.587654  ?              ?        
1 1 1 -4  26 16 o 10.96367 5.292518  ?              ?        
1 1 1 -4  26 17 o 31.07541 9.482477  ?              ?        
1 1 1 -4  26 18 o 18.54927 7.825831  ?              ?        
1 1 1 -4  27 1  o 29.24757 8.854923  ?              ?        
1 1 1 -4  27 2  o 20.11313 7.596994  ?              ?        
1 1 1 -4  27 3  o 49.55537 6.964039  ?              ?        
1 1 1 -4  27 4  x ?        ?         ?              ?        
1 1 1 -4  27 5  x ?        ?         ?              ?        
1 1 1 -4  27 6  x ?        ?         ?              ?        
1 1 1 -4  27 7  x ?        ?         ?              ?        
1 1 1 -4  27 8  x ?        ?         ?              ?        
1 1 1 -4  27 9  x ?        ?         ?              ?        
1 1 1 -4  27 10 x ?        ?         ?              ?        
1 1 1 -4  27 11 x ?        ?         ?              ?        
1 1 1 -4  27 12 x ?        ?         ?              ?        
1 1 1 -4  27 13 x ?        ?         ?              ?        
1 1 1 -4  27 14 x ?        ?         ?              ?        
1 1 1 -4  27 15 x ?        ?         ?              ?        
1 1 1 -4  27 16 x ?        ?         ?              ?        
1 1 1 -4  28 1  x ?        ?         ?              ?        
1 1 1 -4  28 2  x ?        ?         ?              ?        
1 1 1 -4  28 3  x ?        ?         ?              ?        
1 1 1 -4  28 4  x ?        ?         ?              ?        
1 1 1 -4  28 5  x ?        ?         ?              ?        
1 1 1 -4  28 6  x ?        ?         ?              ?        
1 1 1 -4  28 7  x ?        ?         ?              ?        
1 1 1 -4  28 8  x ?        ?         ?              ?        
1 1 1 -4  28 9  x ?        ?         ?              ?        
1 1 1 -4  28 10 x ?        ?         ?              ?        
1 1 1 -4  28 11 x ?        ?         ?              ?        
1 1 1 -4  28 12 x ?        ?         ?              ?        
1 1 1 -4  28 13 x ?        ?         ?              ?        
1 1 1 -4  29 1  x ?        ?         ?              ?        
1 1 1 -4  29 2  x ?        ?         ?              ?        
1 1 1 -4  29 3  x ?        ?         ?              ?        
1 1 1 -4  29 4  x ?        ?         ?              ?        
1 1 1 -4  29 5  x ?        ?         ?              ?        
1 1 1 -4  29 6  x ?        ?         ?              ?        
1 1 1 -4  29 7  x ?        ?         ?              ?        
1 1 1 -4  29 8  x ?        ?         ?              ?        
1 1 1 -4  29 9  x ?        ?         ?              ?        
1 1 1 -4  29 10 x ?        ?         ?              ?        
1 1 1 -3  0  1  o 271.3788 3.616534  -0.000000      0.000000 
1 1 1 -3  0  2  o 178.5559 2.422632  -0.000000      0.000000 
1 1 1 -3  0  3  o 37.87159 1.379440  -0.000000      0.000000 
1 1 1 -3  0  4  o 373.1146 7.042241  -0.000000      0.000000 
1 1 1 -3  0  5  o 116.9993 1.722470  -0.000000      0.000000 
1 1 1 -3  0  6  o 84.73873 2.065098  0.000000       0.000000 
1 1 1 -3  0  7  o 692.9214 9.185942  0.000000       0.000000 
1 1 1 -3  0  8  o 300.9875 5.716872  -0.000000      0.000000 
1 1 1 -3  0  9  o 128.2870 1.936599  -0.000000      0.000000 
1 1 1 -3  0  10 o 92.13773 1.599906  0.000000       0.000000 
1 1 1 -3  0  11 o 269.1389 3.680859  -0.000000      0.000000 
1 1 1 -3  0  12 o 312.0266 4.236928  0.000000       0.000000 
1 1 1 -3  0  13 o 109.4386 1.838455  -0.000000      0.000000 
1 1 1 -3  0  14 o 4.782797 3.321764  0.000000       0.000000 
1 1 1 -3  0  15 o 121.7003 3.114809  -0.000000      0.000000 
1 1 1 -3  0  16 o 83.49898 1.782574  -0.000000      0.000000 
1 1 1 -3  0  17 o 176.8556 2.671540  -0.000000      0.000000 
1 1 1 -3  0  18 o 40.26080 2.555987  -0.000000      0.000000 
1 1 1 -3  0  19 o 257.0489 3.676400  -0.000000      0.000000 
1 1 1 -3  0  20 o 106.9030 2.134172  0.000000       0.000000 
1 1 1 -3  0  21 o 103.5704 2.152914  -0.000000      0.000000 
1 1 1 -3  0  22 o 39.00397 2.702885  -0.000000      0.000000 
1 1 1 -3  0  23 o 58.34052 2.231402  -0.000000      0.000000 
1 1 1 -3  0  24 o 32.16181 6.578496  0.000000       0.000000 
1 1 1 -3  0  25 o 139.7856 2.600144  0.000000       0.000000 
1 1 1 -3  0  26 o 116.4958 3.262156  0.000000       0.000000 
1 1 1 -3  0  27 o 150.5585 2.854754  -0.000000      0.000000 
1 1 1 -3  0  28 o 38.54502 3.961468  0.000000       0.000000 
1 1 1 -3  0  29 o 18.48155 7.573389  0.000000       0.000000 
1 1 1 -3  0  30 o 8.612682 5.771675  0.000000       0.000000 
1 1 1 -3  0  31 o 34.06324 4.495902  -0.000000      0.000000 
1 1 1 -3  0  32 f 16.15738 7.609946  0.000000       0.000000 
1 1 1 -3  0  33 o 13.43301 7.275416  0.000000       0.000000 
1 1 1 -3  0  34 f 13.49926 7.369184  0.000000       0.000000 
1 1 1 -3  0  35 o 8.269140 5.587776  -0.000000      0.000000 
1 1 1 -3  0  36 o 10.11695 6.158086  0.000000       0.000000 
1 1 1 -3  1  1  o 98.67384 1.121469  -13.30074      2.242938 
1 1 1 -3  1  2  o 168.4887 1.687640  0.7481689      3.375280 
1 1 1 -3  1  3  o 334.6121 4.504451  4.263031       9.008902 
1 1 1 -3  1  4  o 320.3159 4.320301  -1.887543      8.640601 
1 1 1 -3  1  5  o 151.7002 1.568458  -2.209686      3.136916 
1 1 1 -3  1  6  o 194.8450 2.459941  9.543488       4.919881 
1 1 1 -3  1  7  o 206.6990 2.049459  -6.903915      4.098917 
1 1 1 -3  1  8  o 314.7108 4.265586  2.651550       8.531172 
1 1 1 -3  1  9  o 234.0828 2.296426  -4.560608      4.592853 
1 1 1 -3  1  10 o 126.5965 1.405422  -7.074173      2.810845 
1 1 1 -3  1  11 o 95.18680 1.199656  0.6013870      2.399313 
1 1 1 -3  1  12 o 238.3099 2.347233  -0.1499786     4.694466 
1 1 1 -3  1  13 o 180.0092 1.864221  -5.179138      3.728442 
1 1 1 -3  1  14 o 187.4953 1.933917  5.741241       3.867834 
1 1 1 -3  1  15 o 209.7512 3.088021  8.785965       6.176042 
1 1 1 -3  1  16 o 67.43803 2.020545  ?              ?        
1 1 1 -3  1  17 o 246.7971 2.962954  -8.794266      5.925908 
1 1 1 -3  1  18 o 212.9446 2.215359  -4.626556      4.430718 
1 1 1 -3  1  19 o 137.0676 1.683052  1.442093       3.366103 
1 1 1 -3  1  20 o 154.5195 1.802394  -2.983032      3.604788 
1 1 1 -3  1  21 o 131.4143 1.667132  1.605560       3.334263 
1 1 1 -3  1  22 o 159.4074 1.880908  -0.2291718     3.761817 
1 1 1 -3  1  23 o 171.0190 1.985508  4.556290       3.971016 
1 1 1 -3  1  24 o 63.44661 2.726862  7.318970       5.453724 
1 1 1 -3  1  25 o 97.23562 1.667820  0.3150940E-01  3.335640 
1 1 1 -3  1  26 o 94.26968 2.017753  -4.623779      4.035506 
1 1 1 -3  1  27 o 36.36902 2.558318  -0.2315865     5.116637 
1 1 1 -3  1  28 o 58.50710 2.150374  5.498688       4.300749 
1 1 1 -3  1  29 o 90.46717 2.014944  -5.744247      4.029888 
1 1 1 -3  1  30 o 45.31638 3.944057  ?              ?        
1 1 1 -3  1  31 o 32.21092 3.590925  -4.596462      7.181849 
1 1 1 -3  1  32 o 41.00815 4.161890  7.202560       8.323779 
1 1 1 -3  1  33 o 28.53506 3.646715  -4.710581      7.293430 
1 1 1 -3  1  34 o 14.73491 4.137633  -5.002866      8.275267 
1 1 1 -3  1  35 o 47.15909 2.569996  2.019497       5.139993 
1 1 1 -3  1  36 o 34.43338 4.232883  ?              ?        
1 1 1 -3  2  1  o 182.9640 1.871340  -11.02809      3.742681 
1 1 1 -3  2  2  o 111.4387 1.313604  -9.411560      2.627209 
1 1 1 -3  2  3  o 88.29495 1.664950  -10.09519      3.329900 
1 1 1 -3  2  4  o 329.8026 4.494743  -9.433777      8.989487 
1 1 1 -3  2  5  o 501.5248 6.726343  -12.19089      13.45269 
1 1 1 -3  2  6  o 346.4943 3.328989  -1.910980      6.657978 
1 1 1 -3  2  7  o 484.7941 5.641096  0.2816467      11.28219 
1 1 1 -3  2  8  o 90.58728 1.593825  -5.547676      3.187649 
1 1 1 -3  2  9  o 414.4183 3.973059  5.520630       7.946119 
1 1 1 -3  2  10 o 77.95824 1.221340  -5.791191      2.442680 
1 1 1 -3  2  11 o 70.46031 1.184680  -1.966911      2.369360 
1 1 1 -3  2  12 o 251.1381 2.496664  -9.957397      4.993328 
1 1 1 -3  2  13 o 447.6292 4.267766  -14.00809      8.535533 
1 1 1 -3  2  14 o 134.0827 1.570952  6.205963       3.141904 
1 1 1 -3  2  15 o 202.8350 3.029748  19.12526       6.059496 
1 1 1 -3  2  16 f 280.2767 2.772336  3.581818       5.544672 
1 1 1 -3  2  17 o 109.0945 2.101857  -0.3045502     4.203713 
1 1 1 -3  2  18 o 98.42560 1.520678  0.5380478      3.041356 
1 1 1 -3  2  19 o 125.6072 1.638740  -0.7426300     3.277481 
1 1 1 -3  2  20 o 29.10639 2.543318  15.76616       5.086636 
1 1 1 -3  2  21 o 69.23743 1.580360  1.605606       3.160719 
1 1 1 -3  2  22 o 101.3295 1.608226  -3.835091      3.216452 
1 1 1 -3  2  23 o 75.29917 1.579642  -4.699921      3.159285 
1 1 1 -3  2  24 o 93.26018 2.627560  -9.773170      5.255119 
1 1 1 -3  2  25 o 97.12215 1.721373  -2.422340      3.442746 
1 1 1 -3  2  26 o 26.21558 3.999649  -11.91704      7.999299 
1 1 1 -3  2  27 o 94.22986 1.838076  2.641739       3.676152 
1 1 1 -3  2  28 o 63.34061 2.181915  0.2781181      4.363829 
1 1 1 -3  2  29 o 61.49014 2.264387  0.5154724      4.528774 
1 1 1 -3  2  30 o 56.51332 2.579183  5.086121       5.158367 
1 1 1 -3  2  31 o 51.11259 2.598965  -10.85600      5.197929 
1 1 1 -3  2  32 o 41.50307 3.701299  -13.74036      7.402597 
1 1 1 -3  2  33 o 32.64642 3.243623  -0.8843727     6.487247 
1 1 1 -3  2  34 f 32.37758 4.172901  -3.965300      8.345802 
1 1 1 -3  2  35 o 10.94687 3.464402  3.568559       6.928804 
1 1 1 -3  2  36 o 36.33907 3.983679  ?              ?        
1 1 1 -3  3  1  o 386.0469 5.209147  -4.129761      10.41829 
1 1 1 -3  3  2  o 321.2242 3.741152  -12.76483      7.482303 
1 1 1 -3  3  3  o 198.5196 2.444804  -15.18378      4.889608 
1 1 1 -3  3  4  o 117.1751 2.074845  -6.429184      4.149691 
1 1 1 -3  3  5  o 788.7416 7.432955  4.285400       14.86591 
1 1 1 -3  3  6  o 801.0142 7.556388  -17.33374      15.11278 
1 1 1 -3  3  7  o 202.6516 3.016215  -2.372452      6.032431 
1 1 1 -3  3  8  o 148.8092 1.723132  -11.08739      3.446265 
1 1 1 -3  3  9  o 49.80446 1.371879  8.957760       2.743759 
1 1 1 -3  3  10 o 176.6737 1.937194  2.208221       3.874389 
1 1 1 -3  3  11 o 244.8743 2.494834  4.777405       4.989668 
1 1 1 -3  3  12 o 169.3597 1.881861  3.326981       3.763722 
1 1 1 -3  3  13 o 310.8525 3.071523  2.662384       6.143045 
1 1 1 -3  3  14 o 183.6198 2.357150  1.494675       4.714300 
1 1 1 -3  3  15 o 226.8947 3.015989  8.196014       6.031978 
1 1 1 -3  3  16 o 95.43569 1.827775  ?              ?        
1 1 1 -3  3  17 o 205.4588 4.335462  ?              ?        
1 1 1 -3  3  18 o 60.72242 1.749124  -1.206783      3.498249 
1 1 1 -3  3  19 o 153.8912 1.851685  -1.013733      3.703370 
1 1 1 -3  3  20 o 96.68895 1.614661  -3.457153      3.229321 
1 1 1 -3  3  21 o 84.97913 1.622175  6.862686       3.244350 
1 1 1 -3  3  22 o 83.59425 1.625695  -2.642761      3.251389 
1 1 1 -3  3  23 o 34.23869 2.339255  6.489012       4.678509 
1 1 1 -3  3  24 o 85.20905 2.386682  -3.614952      4.773364 
1 1 1 -3  3  25 o 114.9998 1.841601  2.019783       3.683203 
1 1 1 -3  3  26 o 159.4152 2.420716  -6.718567      4.841432 
1 1 1 -3  3  27 o 14.48022 4.063368  1.153483       8.126736 
1 1 1 -3  3  28 o 27.42397 3.912787  -12.99784      7.825575 
1 1 1 -3  3  29 o 31.36950 3.955218  -7.632547      7.910436 
1 1 1 -3  3  30 o 69.91221 3.358609  -14.78084      6.717218 
1 1 1 -3  3  31 o 63.49644 2.318173  -3.236656      4.636346 
1 1 1 -3  3  32 o 103.6568 2.788150  1.149506       5.576301 
1 1 1 -3  3  33 o 32.43308 3.169417  -2.224119      6.338834 
1 1 1 -3  3  34 o 38.20903 3.441698  -7.126472      6.883396 
1 1 1 -3  3  35 o 19.65062 4.224233  5.827826       8.448466 
1 1 1 -3  3  36 o 19.03195 4.267116  -5.741922      8.534232 
1 1 1 -3  4  1  o 252.1306 3.523888  -3.691269      7.047777 
1 1 1 -3  4  2  o 459.0095 8.740890  ?              ?        
1 1 1 -3  4  3  o 338.5670 3.981603  -10.29822      7.963205 
1 1 1 -3  4  4  o 269.1392 3.826743  -2.696381      7.653485 
1 1 1 -3  4  5  o 310.5510 4.356361  1.972534       8.712723 
1 1 1 -3  4  6  o 179.4778 2.451772  -6.205719      4.903545 
1 1 1 -3  4  7  o 265.4625 2.701044  -8.466705      5.402089 
1 1 1 -3  4  8  o 209.3785 2.244949  -5.637497      4.489898 
1 1 1 -3  4  9  o 29.13892 2.017885  -6.663380      4.035770 
1 1 1 -3  4  10 o 72.44171 1.462042  -1.237534      2.924085 
1 1 1 -3  4  11 o 192.9341 2.121565  -0.9819183     4.243130 
1 1 1 -3  4  12 o 322.1042 3.197800  -5.409607      6.395600 
1 1 1 -3  4  13 o 323.0428 3.982173  -5.043213      7.964345 
1 1 1 -3  4  14 o 353.5898 6.792286  ?              ?        
1 1 1 -3  4  15 o 229.0331 2.432432  2.289871       4.864863 
1 1 1 -3  4  16 o 282.5901 3.513824  -3.575378      7.027649 
1 1 1 -3  4  17 o 311.5004 3.916146  -10.48557      7.832291 
1 1 1 -3  4  18 o 179.4571 2.076125  -2.758560      4.152251 
1 1 1 -3  4  19 o 55.85065 1.935980  -7.695904      3.871960 
1 1 1 -3  4  20 o 31.71189 2.500829  5.015282       5.001659 
1 1 1 -3  4  21 o 75.40009 1.697863  -2.682449      3.395726 
1 1 1 -3  4  22 o 166.7777 2.036451  6.390945       4.072902 
1 1 1 -3  4  23 o 127.2187 2.129493  -4.388214      4.258987 
1 1 1 -3  4  24 o 84.84613 2.472305  -0.3621445     4.944609 
1 1 1 -3  4  25 o 40.63093 3.128318  -6.209282      6.256636 
1 1 1 -3  4  26 o 88.95799 2.139504  1.493683       4.279008 
1 1 1 -3  4  27 o 117.2201 1.991797  2.905655       3.983595 
1 1 1 -3  4  28 f 149.4878 2.181105  2.334625       4.362209 
1 1 1 -3  4  29 o 74.82533 2.217786  3.480728       4.435571 
1 1 1 -3  4  30 o 34.01449 4.676922  7.115040       9.353844 
1 1 1 -3  4  31 o 64.77576 2.442360  -8.933678      4.884719 
1 1 1 -3  4  32 o 28.61429 4.694965  -9.535158      9.389930 
1 1 1 -3  4  33 o 41.69647 3.405541  -4.618382      6.811081 
1 1 1 -3  4  34 o 13.13543 4.143952  1.423337       8.287905 
1 1 1 -3  4  35 o 17.81473 4.246350  1.708088       8.492700 
1 1 1 -3  4  36 o 20.77659 3.451339  -19.97739      6.902678 
1 1 1 -3  5  1  o 46.22319 1.656292  -6.309685      3.312583 
1 1 1 -3  5  2  o 97.78743 1.896272  1.989037       3.792544 
1 1 1 -3  5  3  o 180.7759 3.935955  ?              ?        
1 1 1 -3  5  4  o 160.6578 3.798827  ?              ?        
1 1 1 -3  5  5  o 181.1178 2.441515  -5.777313      4.883031 
1 1 1 -3  5  6  o 130.5746 2.087689  4.669174       4.175378 
1 1 1 -3  5  7  o 95.73888 1.579849  0.7723083      3.159698 
1 1 1 -3  5  8  o 128.3635 1.747998  0.4808655      3.495995 
1 1 1 -3  5  9  o 20.37895 2.845288  6.442284       5.690577 
1 1 1 -3  5  10 o 33.68344 2.109349  2.941334       4.218699 
1 1 1 -3  5  11 o 333.0884 3.333049  -4.641968      6.666098 
1 1 1 -3  5  12 o 201.7406 2.260134  2.978134       4.520268 
1 1 1 -3  5  13 o 301.7495 6.274603  ?              ?        
1 1 1 -3  5  14 o 154.0304 2.713503  1.052353       5.427006 
1 1 1 -3  5  15 o 79.90701 2.232525  -3.091423      4.465051 
1 1 1 -3  5  16 o 131.1377 2.393991  -8.311325      4.787982 
1 1 1 -3  5  17 o 129.5149 1.880999  -1.223358      3.761997 
1 1 1 -3  5  18 o 58.88769 2.031648  -5.086323      4.063295 
1 1 1 -3  5  19 o 91.70686 1.803075  5.268478       3.606150 
1 1 1 -3  5  20 o 74.93139 1.796641  3.270050       3.593283 
1 1 1 -3  5  21 o 60.42284 1.912111  4.003109       3.824222 
1 1 1 -3  5  22 o 74.28627 1.969419  -4.650223      3.938837 
1 1 1 -3  5  23 o 129.3921 2.547070  6.025833       5.094139 
1 1 1 -3  5  24 o 54.37735 2.145922  2.324078       4.291844 
1 1 1 -3  5  25 o 118.3824 1.960323  3.618385       3.920645 
1 1 1 -3  5  26 o 85.78104 2.028465  3.607315       4.056929 
1 1 1 -3  5  27 o 57.91994 2.499223  -1.368580      4.998446 
1 1 1 -3  5  28 o 81.04528 2.255944  0.3959503      4.511887 
1 1 1 -3  5  29 o 39.97937 3.241551  -4.566879      6.483102 
1 1 1 -3  5  30 o 27.96188 4.193120  -10.50891      8.386239 
1 1 1 -3  5  31 o 46.78814 3.629311  -9.084721      7.258622 
1 1 1 -3  5  32 o 70.59595 5.403539  ?              ?        
1 1 1 -3  5  33 o 27.34631 4.349867  -8.421625      8.699735 
1 1 1 -3  5  34 o 46.41470 3.433084  -21.84906      6.866167 
1 1 1 -3  5  35 o 13.49797 4.059844  -1.596274      8.119688 
1 1 1 -3  5  36 o 23.51082 5.642009  ?              ?        
1 1 1 -3  6  1  o 397.4839 7.683803  ?              ?        
1 1 1 -3  6  2  o 41.77781 1.902964  0.8874741      3.805928 
1 1 1 -3  6  3  o 73.46342 1.956293  -10.85974      3.912586 
1 1 1 -3  6  4  o 125.1702 3.270991  ?              ?        
1 1 1 -3  6  5  o 134.3571 2.458135  -3.480255      4.916270 
1 1 1 -3  6  6  o 92.49554 1.942136  -2.158974      3.884272 
1 1 1 -3  6  7  o 342.1878 4.158377  -6.214355      8.316753 
1 1 1 -3  6  8  o 216.9657 2.893060  -6.768875      5.786120 
1 1 1 -3  6  9  o 105.8645 1.743629  3.607742       3.487259 
1 1 1 -3  6  10 o 220.8415 2.457996  6.037598       4.915992 
1 1 1 -3  6  11 o 183.3967 2.648222  -2.061813      5.296444 
1 1 1 -3  6  12 o 208.9377 2.938580  4.396652       5.877161 
1 1 1 -3  6  13 o 303.8604 4.456296  7.710876       8.912592 
1 1 1 -3  6  14 o 55.39310 2.893151  4.700680       5.786301 
1 1 1 -3  6  15 o 302.0238 3.811733  6.484589       7.623465 
1 1 1 -3  6  16 o 249.7451 2.712641  0.6275330      5.425283 
1 1 1 -3  6  17 o 191.8233 2.290694  1.351395       4.581388 
1 1 1 -3  6  18 o 155.9501 2.088282  2.800018       4.176563 
1 1 1 -3  6  19 f 223.9657 2.529881  1.313004       5.059762 
1 1 1 -3  6  20 o 113.5893 1.890995  1.015648       3.781991 
1 1 1 -3  6  21 o 140.8575 2.021545  2.592072       4.043091 
1 1 1 -3  6  22 f 87.53756 1.904691  1.867157       3.809381 
1 1 1 -3  6  23 o 142.2141 2.057678  -3.452194      4.115355 
1 1 1 -3  6  24 o 96.45323 2.588563  -7.805946      5.177126 
1 1 1 -3  6  25 o 85.91173 2.463759  -10.02226      4.927517 
1 1 1 -3  6  26 o 139.9717 2.145636  -2.074036      4.291273 
1 1 1 -3  6  27 o 115.2151 2.151542  4.344727       4.303084 
1 1 1 -3  6  28 o 137.7057 2.252438  4.656158       4.504877 
1 1 1 -3  6  29 f 57.34045 2.699842  -2.263935      5.399684 
1 1 1 -3  6  30 o 42.75191 3.969453  -17.49852      7.938906 
1 1 1 -3  6  31 o 39.38477 4.026507  -20.98168      8.053015 
1 1 1 -3  6  32 o 26.62432 4.616595  -11.49412      9.233191 
1 1 1 -3  6  33 o 65.48698 2.772740  -24.08478      5.545480 
1 1 1 -3  6  34 o 18.81178 4.324431  -12.23611      8.648863 
1 1 1 -3  6  35 o 14.12522 4.121455  -10.76575      8.242909 
1 1 1 -3  6  36 o 14.58838 4.222725  -2.145020      8.445450 
1 1 1 -3  7  1  o 116.7105 2.247967  0.7920074      4.495934 
1 1 1 -3  7  2  o 79.81911 2.049378  -4.027893      4.098755 
1 1 1 -3  7  3  o 208.3830 3.223043  -10.39711      6.446086 
1 1 1 -3  7  4  o 175.2366 4.069811  ?              ?        
1 1 1 -3  7  5  o 160.3166 2.775184  1.424484       5.550368 
1 1 1 -3  7  6  o 260.5008 3.871837  -17.76530      7.743675 
1 1 1 -3  7  7  o 453.0339 5.454902  2.872253       10.90980 
1 1 1 -3  7  8  o 246.0103 3.257645  1.485306       6.515290 
1 1 1 -3  7  9  o 266.4708 3.483950  3.239594       6.967900 
1 1 1 -3  7  10 o 202.1518 3.315430  2.860260       6.630860 
1 1 1 -3  7  11 o 117.3112 2.374538  13.35795       4.749076 
1 1 1 -3  7  12 o 89.79170 1.906391  0.9627609      3.812782 
1 1 1 -3  7  13 o 371.5424 5.246142  ?              ?        
1 1 1 -3  7  14 o 174.8314 4.849232  ?              ?        
1 1 1 -3  7  15 o 154.0430 2.167528  -0.2756805     4.335056 
1 1 1 -3  7  16 f 135.1424 2.075186  3.906311       4.150372 
1 1 1 -3  7  17 o 49.97381 2.647570  -0.2470398E-01 5.295139 
1 1 1 -3  7  18 o 112.0282 2.004716  3.763863       4.009432 
1 1 1 -3  7  19 o 100.7984 1.989347  5.518753       3.978693 
1 1 1 -3  7  20 o 64.44201 2.135178  1.647537       4.270356 
1 1 1 -3  7  21 o 126.8264 2.244174  10.80209       4.488349 
1 1 1 -3  7  22 o 128.6049 2.638335  3.169090       5.276670 
1 1 1 -3  7  23 o 49.59681 3.198917  4.831676       6.397835 
1 1 1 -3  7  24 o 112.7927 2.543171  -9.091164      5.086342 
1 1 1 -3  7  25 o 18.45436 4.277677  -1.278826      8.555354 
1 1 1 -3  7  26 o 157.1049 2.294207  2.483780       4.588415 
1 1 1 -3  7  27 o 33.24098 4.056587  4.159903       8.113173 
1 1 1 -3  7  28 o 98.78493 2.330469  -3.609192      4.660938 
1 1 1 -3  7  29 o 13.23854 4.288949  6.340676       8.577898 
1 1 1 -3  7  30 o 41.53282 3.270474  -7.211529      6.540949 
1 1 1 -3  7  31 o 48.26760 3.662770  -7.132088      7.325540 
1 1 1 -3  7  32 o 94.14697 2.205284  -33.27991      4.410568 
1 1 1 -3  7  33 o 35.49610 4.108974  -18.08410      8.217948 
1 1 1 -3  7  34 o 12.99512 3.986553  -6.085999      7.973105 
1 1 1 -3  7  35 o 14.07816 4.238332  -1.574435      8.476665 
1 1 1 -3  8  1  o 127.7215 2.430467  3.860336       4.860935 
1 1 1 -3  8  2  o 258.6113 3.826208  16.68610       7.652417 
1 1 1 -3  8  3  o 209.3079 3.268192  6.367874       6.536384 
1 1 1 -3  8  4  o 72.65816 3.155677  ?              ?        
1 1 1 -3  8  5  f 123.3697 3.524852  ?              ?        
1 1 1 -3  8  6  o 315.3830 4.556136  -7.258240      9.112271 
1 1 1 -3  8  7  o 206.0690 3.328777  4.148895       6.657554 
1 1 1 -3  8  8  o 458.1020 6.396132  10.23669       12.79226 
1 1 1 -3  8  9  o 65.23056 2.319658  7.340569       4.639316 
1 1 1 -3  8  10 o 200.6164 2.949896  5.440735       5.899792 
1 1 1 -3  8  11 o 142.5774 2.870093  ?              ?        
1 1 1 -3  8  12 o 291.3434 4.389113  8.303436       8.778227 
1 1 1 -3  8  13 o 150.6736 2.665688  -1.461105      5.331376 
1 1 1 -3  8  14 o 84.47148 2.902184  -1.426910      5.804368 
1 1 1 -3  8  15 o 80.08047 2.305468  6.033142       4.610936 
1 1 1 -3  8  16 o 129.8606 2.172367  0.3234100      4.344735 
1 1 1 -3  8  17 o 49.93017 2.749849  4.767162       5.499698 
1 1 1 -3  8  18 o 88.42642 2.146818  0.2626953      4.293636 
1 1 1 -3  8  19 o 160.4949 2.253324  -1.131516      4.506648 
1 1 1 -3  8  20 o 72.58771 2.143769  9.510468       4.287537 
1 1 1 -3  8  21 o 158.2448 2.805246  -0.2475739     5.610492 
1 1 1 -3  8  22 f 62.22943 3.228855  -5.123924      6.457709 
1 1 1 -3  8  23 o 103.8147 2.592916  -5.361313      5.185833 
1 1 1 -3  8  24 o 74.71936 2.338949  -12.05920      4.677897 
1 1 1 -3  8  25 o 55.39678 2.768343  -11.55485      5.536686 
1 1 1 -3  8  26 o 30.05875 3.901261  ?              ?        
1 1 1 -3  8  27 o 70.53918 2.533636  -6.308708      5.067272 
1 1 1 -3  8  28 o 60.03816 2.788808  -3.614983      5.577616 
1 1 1 -3  8  29 o 70.75797 2.816848  -5.460190      5.633697 
1 1 1 -3  8  30 o 45.00200 3.868388  5.642189       7.736775 
1 1 1 -3  8  31 o 21.29216 4.475397  -10.52996      8.950793 
1 1 1 -3  8  32 o 42.86252 3.298657  -13.42063      6.597314 
1 1 1 -3  8  33 o 63.68503 2.439602  -33.43594      4.879205 
1 1 1 -3  8  34 o 13.92773 4.146299  -3.091573      8.292598 
1 1 1 -3  8  35 o 15.36942 4.496484  -7.650349      8.992968 
1 1 1 -3  9  1  o 71.75127 2.242681  -0.2570572     4.485363 
1 1 1 -3  9  2  o 221.3172 3.441799  -1.415054      6.883597 
1 1 1 -3  9  3  o 69.50586 2.346166  -6.236641      4.692333 
1 1 1 -3  9  4  o 203.2262 4.638880  ?              ?        
1 1 1 -3  9  5  o 266.8412 5.696076  ?              ?        
1 1 1 -3  9  6  o 245.9598 3.815624  7.253311       7.631249 
1 1 1 -3  9  7  o 142.3650 2.830247  2.122147       5.660494 
1 1 1 -3  9  8  o 167.1265 3.084640  -10.22064      6.169281 
1 1 1 -3  9  9  o 418.5012 5.917369  ?              ?        
1 1 1 -3  9  10 o 326.9080 4.814550  -10.26077      9.629101 
1 1 1 -3  9  11 o 320.2622 4.164065  6.568848       8.328131 
1 1 1 -3  9  12 o 227.7343 3.271999  0.6825562      6.543999 
1 1 1 -3  9  13 o 269.8553 3.685191  2.146576       7.370382 
1 1 1 -3  9  14 o 153.0059 2.898345  4.026505       5.796690 
1 1 1 -3  9  15 o 261.3922 3.599026  -7.565979      7.198052 
1 1 1 -3  9  16 o 66.83109 3.030563  -1.844810      6.061127 
1 1 1 -3  9  17 o 58.03625 3.191296  0.9378586      6.382591 
1 1 1 -3  9  18 o 302.0952 3.948843  0.1308899      7.897686 
1 1 1 -3  9  19 o 96.13211 2.188495  -1.397362      4.376990 
1 1 1 -3  9  20 o 127.0920 2.706065  0.7411728      5.412130 
1 1 1 -3  9  21 o 111.9523 2.940549  10.86803       5.881097 
1 1 1 -3  9  22 o 77.45123 2.779530  -8.554237      5.559061 
1 1 1 -3  9  23 f 55.21391 2.644654  9.345886       5.289308 
1 1 1 -3  9  24 o 109.5540 2.293322  -2.942001      4.586644 
1 1 1 -3  9  25 o 113.4353 2.355280  -2.648956      4.710560 
1 1 1 -3  9  26 o 46.10941 3.510463  -3.805996      7.020926 
1 1 1 -3  9  27 o 69.48894 2.866077  -5.596848      5.732154 
1 1 1 -3  9  28 o 39.75364 3.754007  6.850197       7.508014 
1 1 1 -3  9  29 o 63.40569 2.873185  -13.88869      5.746371 
1 1 1 -3  9  30 o 47.25497 4.328326  -11.68603      8.656652 
1 1 1 -3  9  31 o 26.94995 4.102046  -10.70156      8.204092 
1 1 1 -3  9  32 o 21.03397 4.580076  6.964945       9.160152 
1 1 1 -3  9  33 o 15.19132 4.313416  -8.409238      8.626833 
1 1 1 -3  9  34 o 56.81399 2.761768  -38.04509      5.523536 
1 1 1 -3  9  35 o 13.67515 4.271556  -1.573323      8.543112 
1 1 1 -3  10 1  f 490.4287 9.563169  ?              ?        
1 1 1 -3  10 2  o 329.4737 6.723263  ?              ?        
1 1 1 -3  10 3  f 355.7423 5.089910  7.060333       10.17982 
1 1 1 -3  10 4  o 73.42055 3.725027  ?              ?        
1 1 1 -3  10 5  o 273.1388 5.863847  ?              ?        
1 1 1 -3  10 6  o 105.0986 3.760551  ?              ?        
1 1 1 -3  10 7  o 265.0061 5.746531  ?              ?        
1 1 1 -3  10 8  o 96.97476 2.836960  -9.394234      5.673920 
1 1 1 -3  10 9  o 323.5962 4.791994  9.297333       9.583987 
1 1 1 -3  10 10 o 81.97366 2.703894  -0.4350281E-01 5.407788 
1 1 1 -3  10 11 o 243.5046 3.480291  4.964127       6.960582 
1 1 1 -3  10 12 o 27.48306 5.473033  -6.168947      10.94607 
1 1 1 -3  10 13 o 354.5299 4.569717  3.044983       9.139434 
1 1 1 -3  10 14 o 262.9645 3.711041  4.171539       7.422081 
1 1 1 -3  10 15 o 63.31754 3.284672  -0.4205322E-01 6.569345 
1 1 1 -3  10 16 f 96.52106 2.747850  3.644981       5.495701 
1 1 1 -3  10 17 o 210.3648 3.680573  1.693268       7.361146 
1 1 1 -3  10 18 o 106.9400 2.777897  7.499748       5.555793 
1 1 1 -3  10 19 o 194.1053 3.382245  ?              ?        
1 1 1 -3  10 20 o 30.76901 4.765872  -9.236240      9.531743 
1 1 1 -3  10 21 o 56.46583 3.676404  3.643616       7.352809 
1 1 1 -3  10 22 o 251.4384 3.650497  -9.047562      7.300995 
1 1 1 -3  10 23 o 87.69247 2.459391  -10.72405      4.918782 
1 1 1 -3  10 24 o 64.94743 2.800021  -5.051590      5.600041 
1 1 1 -3  10 25 o 13.04531 4.064917  -1.356399      8.129834 
1 1 1 -3  10 26 o 34.41743 4.714828  -12.90804      9.429657 
1 1 1 -3  10 27 o 118.3885 2.753560  -8.751678      5.507120 
1 1 1 -3  10 28 o 76.21229 4.551604  ?              ?        
1 1 1 -3  10 29 o 11.54064 5.583194  ?              ?        
1 1 1 -3  10 30 o 71.68342 2.500705  -23.86363      5.001411 
1 1 1 -3  10 31 o 26.56868 4.615547  -18.31795      9.231093 
1 1 1 -3  10 32 o 18.12920 4.629461  -3.310022      9.258922 
1 1 1 -3  10 33 o 31.26303 3.986578  -20.56474      7.973156 
1 1 1 -3  10 34 o 27.05556 4.348327  -12.09845      8.696653 
1 1 1 -3  11 1  o 297.7296 4.511331  28.81689       9.022661 
1 1 1 -3  11 2  o 162.1658 4.293587  ?              ?        
1 1 1 -3  11 3  o 139.3201 4.105212  ?              ?        
1 1 1 -3  11 4  o 268.0038 5.790120  ?              ?        
1 1 1 -3  11 5  o 157.2422 4.331658  ?              ?        
1 1 1 -3  11 6  o 147.5566 3.075855  -1.085220      6.151711 
1 1 1 -3  11 7  o 379.6277 5.474957  14.62601       10.94991 
1 1 1 -3  11 8  o 202.9889 3.531912  10.72794       7.063824 
1 1 1 -3  11 9  o 191.6937 3.467461  -4.917847      6.934922 
1 1 1 -3  11 10 o 133.6753 2.844738  10.44240       5.689476 
1 1 1 -3  11 11 o 67.35800 3.323172  5.322197       6.646344 
1 1 1 -3  11 12 o 226.7224 3.381465  0.4139557      6.762930 
1 1 1 -3  11 13 o 35.86201 5.281589  -14.23532      10.56318 
1 1 1 -3  11 14 o 75.34436 3.227714  -12.85453      6.455428 
1 1 1 -3  11 15 o 133.6548 3.267166  -0.2369385     6.534332 
1 1 1 -3  11 16 o 64.02353 3.200791  -6.138840      6.401583 
1 1 1 -3  11 17 o 116.9486 2.829603  0.1444855      5.659205 
1 1 1 -3  11 18 o 157.4931 3.197256  ?              ?        
1 1 1 -3  11 19 o 175.7677 3.092388  -2.623993      6.184775 
1 1 1 -3  11 20 o 98.91806 3.365005  -5.682564      6.730010 
1 1 1 -3  11 21 o 125.1540 2.986604  7.017776       5.973209 
1 1 1 -3  11 22 o 101.2597 2.985910  -0.9471359     5.971820 
1 1 1 -3  11 23 o 125.7119 3.096032  -6.434784      6.192064 
1 1 1 -3  11 24 o 52.64729 5.167125  -18.72998      10.33425 
1 1 1 -3  11 25 o 104.6236 3.328562  -0.9902191E-01 6.657124 
1 1 1 -3  11 26 o 83.11360 3.558300  -3.818474      7.116601 
1 1 1 -3  11 27 o 95.52078 3.415681  -14.88377      6.831362 
1 1 1 -3  11 28 o 55.25123 3.140203  ?              ?        
1 1 1 -3  11 29 o 62.86966 3.610170  -10.11642      7.220339 
1 1 1 -3  11 30 o 45.62999 4.524898  -13.02332      9.049796 
1 1 1 -3  11 31 o 17.42544 4.483788  -5.739862      8.967575 
1 1 1 -3  11 32 o 41.48293 5.083998  ?              ?        
1 1 1 -3  11 33 o 33.46782 3.206014  -45.65572      6.412028 
1 1 1 -3  11 34 f 16.19022 5.176974  -3.707975      10.35395 
1 1 1 -3  12 1  o 128.8100 4.116813  ?              ?        
1 1 1 -3  12 2  o 242.7785 3.865731  0.2045746      7.731462 
1 1 1 -3  12 3  o 112.6279 2.811164  4.083572       5.622327 
1 1 1 -3  12 4  o 83.46515 3.034199  -2.836662      6.068398 
1 1 1 -3  12 5  o 274.6057 6.036702  ?              ?        
1 1 1 -3  12 6  o 257.9122 4.141472  10.40875       8.282944 
1 1 1 -3  12 7  o 359.1796 5.269353  6.443268       10.53871 
1 1 1 -3  12 8  o 96.58958 3.222345  5.624985       6.444690 
1 1 1 -3  12 9  o 25.01099 6.210417  1.859591       12.42083 
1 1 1 -3  12 10 o 76.81227 3.521801  6.014000       7.043602 
1 1 1 -3  12 11 o 343.3578 4.546822  10.53107       9.093643 
1 1 1 -3  12 12 o 116.6010 2.930539  -6.080894      5.861078 
1 1 1 -3  12 13 o 148.7983 3.453750  4.155441       6.907501 
1 1 1 -3  12 14 o 103.0151 2.934961  1.683029       5.869922 
1 1 1 -3  12 15 o 123.9903 4.924882  ?              ?        
1 1 1 -3  12 16 o 36.26832 4.762338  ?              ?        
1 1 1 -3  12 17 f 122.9431 2.936578  5.032814       5.873155 
1 1 1 -3  12 18 o 89.69018 3.358981  -3.795837      6.717962 
1 1 1 -3  12 19 o 126.5633 2.939220  3.650269       5.878439 
1 1 1 -3  12 20 o 136.5782 3.012163  3.849564       6.024326 
1 1 1 -3  12 21 o 104.5890 3.039021  9.943649       6.078042 
1 1 1 -3  12 22 o 68.96704 3.708391  -5.906395      7.416782 
1 1 1 -3  12 23 o 68.67364 3.581967  -2.069580      7.163933 
1 1 1 -3  12 24 o 29.31304 6.386464  13.33317       12.77293 
1 1 1 -3  12 25 o 36.25853 5.566264  -5.983532      11.13253 
1 1 1 -3  12 26 o 60.20764 4.153986  -5.389217      8.307971 
1 1 1 -3  12 27 o 84.46188 3.508862  3.686348       7.017725 
1 1 1 -3  12 28 o 51.08972 4.306775  3.664120       8.613550 
1 1 1 -3  12 29 o 30.17455 5.870425  4.740059       11.74085 
1 1 1 -3  12 30 o 22.84110 7.833874  ?              ?        
1 1 1 -3  12 31 o 41.51321 3.612781  -16.48859      7.225561 
1 1 1 -3  12 32 f 66.20488 2.970998  -34.31461      5.941996 
1 1 1 -3  12 33 o 33.93751 5.060439  -9.561865      10.12088 
1 1 1 -3  13 1  o 223.5482 5.308745  ?              ?        
1 1 1 -3  13 2  o 156.0463 3.158865  11.13014       6.317729 
1 1 1 -3  13 3  o 194.9961 3.488745  -5.199020      6.977490 
1 1 1 -3  13 4  o 311.3425 4.731433  10.22580       9.462867 
1 1 1 -3  13 5  o 286.6586 6.275445  ?              ?        
1 1 1 -3  13 6  o 79.29779 3.510782  3.559525       7.021563 
1 1 1 -3  13 7  o 223.6750 3.882915  0.1480713      7.765830 
1 1 1 -3  13 8  o 50.28679 4.645943  -6.420532      9.291886 
1 1 1 -3  13 9  o 123.2057 3.355626  2.286942       6.711251 
1 1 1 -3  13 10 o 88.37172 4.979482  ?              ?        
1 1 1 -3  13 11 o 113.6824 4.966863  ?              ?        
1 1 1 -3  13 12 o 239.9639 4.120531  -3.369522      8.241062 
1 1 1 -3  13 13 o 245.8375 3.664872  -1.908020      7.329743 
1 1 1 -3  13 14 o 136.8246 3.345514  ?              ?        
1 1 1 -3  13 15 o 56.83847 3.608918  -5.533020      7.217836 
1 1 1 -3  13 16 o 119.9984 3.359288  -1.228714      6.718577 
1 1 1 -3  13 17 o 67.22147 3.267025  1.802475       6.534049 
1 1 1 -3  13 18 f 120.0193 3.018608  -7.404968      6.037216 
1 1 1 -3  13 19 o 51.25528 3.673442  1.879471       7.346884 
1 1 1 -3  13 20 o 100.7386 3.167299  2.790207       6.334597 
1 1 1 -3  13 21 o 63.31429 3.709393  -3.343384      7.418786 
1 1 1 -3  13 22 o 65.81083 3.850194  -3.130112      7.700388 
1 1 1 -3  13 23 o 82.73461 3.976158  -13.73122      7.952317 
1 1 1 -3  13 24 f 60.89516 4.161970  -5.819946      8.323940 
1 1 1 -3  13 25 o 26.84463 6.350098  ?              ?        
1 1 1 -3  13 26 o 108.8306 3.483676  -0.9310303     6.967351 
1 1 1 -3  13 27 o 65.62092 4.234980  4.093719       8.469959 
1 1 1 -3  13 28 o 64.84043 3.711273  -13.97758      7.422546 
1 1 1 -3  13 29 o 41.87265 3.969461  -8.842831      7.938922 
1 1 1 -3  13 30 o 28.00816 4.188240  -11.68727      8.376480 
1 1 1 -3  13 31 f 21.74626 3.862845  -16.92554      7.725690 
1 1 1 -3  13 32 o 35.50938 4.378190  -25.53996      8.756380 
1 1 1 -3  13 33 o 24.47462 4.662352  -6.858995      9.324704 
1 1 1 -3  14 1  o 59.55220 5.454234  ?              ?        
1 1 1 -3  14 2  o 154.9685 4.755758  ?              ?        
1 1 1 -3  14 3  o 183.9035 3.482369  8.197968       6.964737 
1 1 1 -3  14 4  o 168.5478 3.463164  -7.892990      6.926329 
1 1 1 -3  14 5  o 31.09700 8.929550  ?              ?        
1 1 1 -3  14 6  o 84.04955 3.619869  -6.512344      7.239737 
1 1 1 -3  14 7  o 175.7168 4.972454  ?              ?        
1 1 1 -3  14 8  o 119.1648 3.359690  -1.852875      6.719381 
1 1 1 -3  14 9  o 139.7378 3.394533  9.566772       6.789065 
1 1 1 -3  14 10 o 286.0658 4.591993  10.20239       9.183987 
1 1 1 -3  14 11 o 98.92042 4.629649  ?              ?        
1 1 1 -3  14 12 o 100.9063 3.550922  5.093788       7.101844 
1 1 1 -3  14 13 o 85.42191 3.508750  1.425560       7.017500 
1 1 1 -3  14 14 o 34.37419 4.947611  15.82272       9.895222 
1 1 1 -3  14 15 o 87.52855 3.038219  7.290321       6.076438 
1 1 1 -3  14 16 f 136.0241 3.080475  2.017487       6.160950 
1 1 1 -3  14 17 f 128.9121 3.101143  5.739037       6.202286 
1 1 1 -3  14 18 o 61.64900 3.967681  -19.41899      7.935362 
1 1 1 -3  14 19 o 76.33448 3.447921  -4.057220      6.895843 
1 1 1 -3  14 20 o 81.08920 3.394477  0.5022583      6.788955 
1 1 1 -3  14 21 f 151.5128 3.745632  4.640121       7.491264 
1 1 1 -3  14 22 o 40.14840 5.632717  -19.76436      11.26543 
1 1 1 -3  14 23 o 45.34638 5.671103  -11.77141      11.34221 
1 1 1 -3  14 24 f 79.22794 3.825340  4.775253       7.650681 
1 1 1 -3  14 25 o 116.9586 3.488557  -6.263153      6.977115 
1 1 1 -3  14 26 o 81.41092 4.019951  -0.9639206     8.039902 
1 1 1 -3  14 27 o 50.50626 4.658735  -6.413025      9.317470 
1 1 1 -3  14 28 o 19.95523 5.033516  -1.119465      10.06703 
1 1 1 -3  14 29 o 25.65161 4.058163  -17.92774      8.116326 
1 1 1 -3  14 30 o 34.22659 3.522910  -1.825645      7.045820 
1 1 1 -3  14 31 o 17.32562 4.531887  -0.3036880     9.063774 
1 1 1 -3  14 32 o 17.87738 6.709080  ?              ?        
1 1 1 -3  15 1  x ?        ?         ?              ?        
1 1 1 -3  15 2  x ?        ?         ?              ?        
1 1 1 -3  15 3  x ?        ?         ?              ?        
1 1 1 -3  15 4  o 109.7096 3.366772  -0.1835861     6.733545 
1 1 1 -3  15 5  o 268.5395 6.165116  ?              ?        
1 1 1 -3  15 6  o 236.0775 4.101707  7.611298       8.203415 
1 1 1 -3  15 7  o 82.80789 3.532337  16.81602       7.064674 
1 1 1 -3  15 8  o 167.6816 4.954715  ?              ?        
1 1 1 -3  15 9  o 74.63023 3.753245  3.543610       7.506491 
1 1 1 -3  15 10 o 110.4222 3.433473  -4.916222      6.866946 
1 1 1 -3  15 11 o 78.75224 3.492999  11.55152       6.985999 
1 1 1 -3  15 12 o 191.5065 3.741786  -3.539719      7.483571 
1 1 1 -3  15 13 o 44.02982 4.500350  -17.68281      9.000701 
1 1 1 -3  15 14 o 29.83542 5.584897  2.740458       11.16979 
1 1 1 -3  15 15 o 169.8002 3.277385  12.38147       6.554770 
1 1 1 -3  15 16 o 185.9345 3.338598  -7.757996      6.677196 
1 1 1 -3  15 17 o 127.0776 3.194574  8.343712       6.389148 
1 1 1 -3  15 18 o 55.58140 4.066959  -6.566521      8.133918 
1 1 1 -3  15 19 o 86.96963 3.863350  1.306274       7.726700 
1 1 1 -3  15 20 o 32.82468 5.529648  -14.34544      11.05930 
1 1 1 -3  15 21 o 44.07066 5.103223  -2.638626      10.20645 
1 1 1 -3  15 22 f 56.44431 4.508994  ?              ?        
1 1 1 -3  15 23 o 82.23004 3.707984  3.841827       7.415968 
1 1 1 -3  15 24 o 93.25458 4.053819  -2.543930      8.107637 
1 1 1 -3  15 25 o 37.77296 5.597060  -8.412434      11.19412 
1 1 1 -3  15 26 o 60.08006 3.921168  -10.35804      7.842335 
1 1 1 -3  15 27 o 18.40960 4.963065  -1.883490      9.926130 
1 1 1 -3  15 28 o 13.22916 4.320330  2.057203       8.640660 
1 1 1 -3  15 29 o 35.90005 4.634632  -25.17036      9.269264 
1 1 1 -3  15 30 o 25.40114 4.279727  -7.438864      8.559454 
1 1 1 -3  15 31 o 22.13441 6.036230  ?              ?        
1 1 1 -3  15 32 o 11.97575 3.872393  2.036818       7.744786 
1 1 1 -3  16 1  o 80.83316 4.671589  ?              ?        
1 1 1 -3  16 2  o 111.9688 4.720538  ?              ?        
1 1 1 -3  16 3  f 125.8284 4.698950  ?              ?        
1 1 1 -3  16 4  o 132.0480 4.801279  ?              ?        
1 1 1 -3  16 5  o 100.8948 4.747679  ?              ?        
1 1 1 -3  16 6  o 53.12455 4.342208  -8.584366      8.684417 
1 1 1 -3  16 7  o 41.34838 4.616835  1.368332       9.233670 
1 1 1 -3  16 8  o 128.8765 3.351508  -1.760941      6.703015 
1 1 1 -3  16 9  o 60.63864 4.043471  -2.838890      8.086942 
1 1 1 -3  16 10 o 75.31844 3.587251  -12.24568      7.174503 
1 1 1 -3  16 11 o 201.6648 3.889757  -4.309555      7.779515 
1 1 1 -3  16 12 o 85.43672 3.481079  0.1383438      6.962157 
1 1 1 -3  16 13 o 85.08984 3.542797  0.6524124      7.085594 
1 1 1 -3  16 14 o 93.75746 3.199781  14.05043       6.399562 
1 1 1 -3  16 15 o 198.0102 3.490112  -0.4152222     6.980223 
1 1 1 -3  16 16 o 76.69371 3.505111  -1.298615      7.010221 
1 1 1 -3  16 17 o 147.2540 3.807279  3.448013       7.614558 
1 1 1 -3  16 18 o 101.6843 3.326095  11.18757       6.652190 
1 1 1 -3  16 19 o 64.48115 3.905232  -4.022480      7.810464 
1 1 1 -3  16 20 o 168.0793 3.917387  ?              ?        
1 1 1 -3  16 21 o 25.54409 6.206039  16.22746       12.41208 
1 1 1 -3  16 22 o 60.57935 5.029379  -10.16113      10.05876 
1 1 1 -3  16 23 o 82.32646 3.788634  -14.95776      7.577268 
1 1 1 -3  16 24 o 28.87028 5.141039  -16.35434      10.28208 
1 1 1 -3  16 25 o 41.61644 4.790414  5.601254       9.580828 
1 1 1 -3  16 26 o 39.59583 4.973691  -17.15255      9.947382 
1 1 1 -3  16 27 o 46.43523 4.362325  -28.54733      8.724650 
1 1 1 -3  16 28 o 33.42103 4.929015  -8.678297      9.858030 
1 1 1 -3  16 29 o 20.93829 4.535853  -5.887472      9.071706 
1 1 1 -3  16 30 o 24.45498 5.959934  ?              ?        
1 1 1 -3  16 31 o 13.53311 4.142378  2.932251       8.284757 
1 1 1 -3  17 1  f 215.6689 5.562007  ?              ?        
1 1 1 -3  17 2  o 142.7617 4.868845  ?              ?        
1 1 1 -3  17 3  o 72.12556 5.069219  ?              ?        
1 1 1 -3  17 4  o 69.70654 4.789118  ?              ?        
1 1 1 -3  17 5  f 127.7978 4.848880  ?              ?        
1 1 1 -3  17 6  o 152.8797 3.561965  9.865936       7.123930 
1 1 1 -3  17 7  f 29.60592 5.525690  -17.74700      11.05138 
1 1 1 -3  17 8  o 163.2975 3.579680  1.160110       7.159359 
1 1 1 -3  17 9  o 46.67852 4.707225  2.869377       9.414450 
1 1 1 -3  17 10 o 95.06778 3.496902  -3.204369      6.993804 
1 1 1 -3  17 11 o 166.9968 3.715052  -1.747894      7.430104 
1 1 1 -3  17 12 o 35.05236 5.495665  -11.19887      10.99133 
1 1 1 -3  17 13 o 42.97305 5.180231  -2.877132      10.36046 
1 1 1 -3  17 14 o 63.64523 4.516493  1.799259       9.032987 
1 1 1 -3  17 15 o 70.57083 4.564057  -17.18467      9.128115 
1 1 1 -3  17 16 o 155.8585 3.442373  6.301102       6.884746 
1 1 1 -3  17 17 o 31.79642 6.269917  14.50431       12.53983 
1 1 1 -3  17 18 o 75.17006 4.417994  ?              ?        
1 1 1 -3  17 19 o 113.0210 3.462088  3.798759       6.924176 
1 1 1 -3  17 20 o 86.90029 4.316609  -9.611191      8.633218 
1 1 1 -3  17 21 o 54.79179 4.982252  -18.63703      9.964503 
1 1 1 -3  17 22 o 40.92269 5.554173  6.861534       11.10835 
1 1 1 -3  17 23 o 56.44065 4.131948  -8.923527      8.263897 
1 1 1 -3  17 24 o 17.26952 4.797598  -6.810449      9.595196 
1 1 1 -3  17 25 o 13.65133 4.350927  1.368427       8.701855 
1 1 1 -3  17 26 o 78.04756 3.533625  -4.148186      7.067250 
1 1 1 -3  17 27 o 20.19193 4.854106  -4.013285      9.708212 
1 1 1 -3  17 28 o 51.81576 3.529438  ?              ?        
1 1 1 -3  17 29 o 23.18467 4.060391  -13.82588      8.120782 
1 1 1 -3  17 30 f 14.40149 4.332471  2.256391       8.664943 
1 1 1 -3  18 1  o 131.9923 4.754491  ?              ?        
1 1 1 -3  18 2  o 60.93841 5.291317  ?              ?        
1 1 1 -3  18 3  o 115.0590 4.739059  ?              ?        
1 1 1 -3  18 4  o 24.22821 8.262870  ?              ?        
1 1 1 -3  18 5  x ?        ?         ?              ?        
1 1 1 -3  18 6  o 100.4687 3.445946  3.195328       6.891891 
1 1 1 -3  18 7  o 30.28484 5.822494  0.3363972      11.64499 
1 1 1 -3  18 8  o 117.3433 3.486594  -8.434853      6.973189 
1 1 1 -3  18 9  f 62.94638 4.080402  5.295891       8.160805 
1 1 1 -3  18 10 o 30.77150 5.995671  6.430885       11.99134 
1 1 1 -3  18 11 o 91.67422 5.159817  ?              ?        
1 1 1 -3  18 12 o 189.6572 5.539164  ?              ?        
1 1 1 -3  18 13 o 70.20557 4.050876  -11.63373      8.101752 
1 1 1 -3  18 14 o 45.23179 5.717471  3.332264       11.43494 
1 1 1 -3  18 15 o 89.31657 4.208327  ?              ?        
1 1 1 -3  18 16 o 35.54360 6.187926  -8.164618      12.37585 
1 1 1 -3  18 17 o 110.5206 3.987831  -6.217278      7.975661 
1 1 1 -3  18 18 o 29.68705 7.112001  2.609999       14.22400 
1 1 1 -3  18 19 o 109.0148 3.676288  11.61958       7.352576 
1 1 1 -3  18 20 o 80.18223 3.899299  -1.667068      7.798598 
1 1 1 -3  18 21 o 75.52671 3.867272  6.659515       7.734544 
1 1 1 -3  18 22 o 103.1099 3.583312  -21.02008      7.166625 
1 1 1 -3  18 23 f 27.41519 5.788456  -2.798120      11.57691 
1 1 1 -3  18 24 o 23.65061 5.684732  4.786453       11.36946 
1 1 1 -3  18 25 o 86.26476 3.175230  0.4951477      6.350461 
1 1 1 -3  18 26 o 16.64137 4.833469  4.875378       9.666939 
1 1 1 -3  18 27 o 29.84395 4.093213  -8.645605      8.186426 
1 1 1 -3  18 28 o 15.73067 4.016464  -7.391980      8.032928 
1 1 1 -3  18 29 o 14.95479 4.235487  5.655431       8.470973 
1 1 1 -3  19 1  f 224.7139 4.111662  ?              ?        
1 1 1 -3  19 2  o 183.6246 5.418075  ?              ?        
1 1 1 -3  19 3  o 72.37268 5.197873  ?              ?        
1 1 1 -3  19 4  o 79.07743 5.364964  ?              ?        
1 1 1 -3  19 5  x ?        ?         ?              ?        
1 1 1 -3  19 6  o 97.11823 5.652745  ?              ?        
1 1 1 -3  19 7  o 82.57507 5.138486  ?              ?        
1 1 1 -3  19 8  o 118.1861 5.066196  ?              ?        
1 1 1 -3  19 9  o 64.29466 4.448828  -13.37277      8.897656 
1 1 1 -3  19 10 o 20.44524 5.823617  4.988108       11.64723 
1 1 1 -3  19 11 o 96.46254 3.942322  -9.857895      7.884643 
1 1 1 -3  19 12 o 128.2970 5.415620  ?              ?        
1 1 1 -3  19 13 o 144.8460 3.883870  -5.673523      7.767739 
1 1 1 -3  19 14 o 88.73118 4.035299  11.18660       8.070599 
1 1 1 -3  19 15 o 70.37598 4.088234  -9.207222      8.176469 
1 1 1 -3  19 16 f 104.8814 3.598644  2.277374       7.197288 
1 1 1 -3  19 17 o 94.96606 3.868556  11.13990       7.737112 
1 1 1 -3  19 18 o 88.26537 3.818890  -1.116516      7.637781 
1 1 1 -3  19 19 o 69.28539 4.288604  3.692513       8.577208 
1 1 1 -3  19 20 o 47.82064 4.884178  10.92933       9.768356 
1 1 1 -3  19 21 o 31.60579 6.134852  4.384933       12.26970 
1 1 1 -3  19 22 o 60.06367 4.609166  -11.10809      9.218331 
1 1 1 -3  19 23 o 59.77666 3.435204  -3.045181      6.870407 
1 1 1 -3  19 24 o 73.95427 3.377483  -12.70768      6.754966 
1 1 1 -3  19 25 o 18.69114 4.975421  4.587881       9.950843 
1 1 1 -3  19 26 o 19.38090 4.267560  -7.544856      8.535119 
1 1 1 -3  19 27 o 11.97285 3.908350  -1.967603      7.816700 
1 1 1 -3  19 28 o 15.88074 4.539088  0.1651917      9.078176 
1 1 1 -3  20 1  o 79.13950 5.403570  ?              ?        
1 1 1 -3  20 2  o 131.4367 5.464674  ?              ?        
1 1 1 -3  20 3  o 104.6584 5.023884  ?              ?        
1 1 1 -3  20 4  o 36.32873 7.893584  ?              ?        
1 1 1 -3  20 5  x ?        ?         ?              ?        
1 1 1 -3  20 6  x ?        ?         ?              ?        
1 1 1 -3  20 7  o 69.12476 5.759598  ?              ?        
1 1 1 -3  20 8  o 137.9041 5.564511  ?              ?        
1 1 1 -3  20 9  o 117.8330 3.798937  -3.343468      7.597873 
1 1 1 -3  20 10 o 95.28093 3.926799  -18.18082      7.853599 
1 1 1 -3  20 11 o 84.47205 4.230866  1.935631       8.461732 
1 1 1 -3  20 12 o 107.1490 4.035895  2.224045       8.071790 
1 1 1 -3  20 13 o 81.71840 4.278962  -0.8748856     8.557923 
1 1 1 -3  20 14 o 94.42079 4.200380  -1.671082      8.400761 
1 1 1 -3  20 15 f 150.3925 4.049812  5.384155       8.099624 
1 1 1 -3  20 16 o 114.9949 3.623017  -15.30882      7.246034 
1 1 1 -3  20 17 o 51.13709 5.400674  -8.013844      10.80135 
1 1 1 -3  20 18 o 65.65010 4.225546  6.422108       8.451092 
1 1 1 -3  20 19 o 89.66432 3.696268  -1.811989      7.392536 
1 1 1 -3  20 20 o 32.87403 5.941965  -19.95481      11.88393 
1 1 1 -3  20 21 o 22.26693 4.841847  -14.61051      9.683695 
1 1 1 -3  20 22 o 82.36557 3.689937  ?              ?        
1 1 1 -3  20 23 o 68.00126 3.461620  -15.96955      6.923239 
1 1 1 -3  20 24 o 43.26970 3.516414  -0.9406509     7.032828 
1 1 1 -3  20 25 o 14.94534 4.141161  -5.224667      8.282323 
1 1 1 -3  20 26 o 10.94024 3.610034  4.337677       7.220068 
1 1 1 -3  20 27 o 32.29908 4.117499  -9.766790      8.234999 
1 1 1 -3  21 1  o 71.24628 5.994980  ?              ?        
1 1 1 -3  21 2  x ?        ?         ?              ?        
1 1 1 -3  21 3  x ?        ?         ?              ?        
1 1 1 -3  21 4  x ?        ?         ?              ?        
1 1 1 -3  21 5  x ?        ?         ?              ?        
1 1 1 -3  21 6  x ?        ?         ?              ?        
1 1 1 -3  21 7  x ?        ?         ?              ?        
1 1 1 -3  21 8  o 96.00970 5.784782  ?              ?        
1 1 1 -3  21 9  o 64.63470 4.471396  3.810425       8.942792 
1 1 1 -3  21 10 o 27.58921 6.796504  8.176085       13.59301 
1 1 1 -3  21 11 o 16.88736 5.438486  -7.350385      10.87697 
1 1 1 -3  21 12 o 58.99932 5.025359  13.26801       10.05072 
1 1 1 -3  21 13 o 63.36684 4.876298  -20.47786      9.752596 
1 1 1 -3  21 14 o 66.54806 4.920358  -16.00115      9.840715 
1 1 1 -3  21 15 o 88.00312 4.378524  17.94679       8.757048 
1 1 1 -3  21 16 o 22.12754 6.181395  0.9668808      12.36279 
1 1 1 -3  21 17 o 29.92641 6.778945  -11.86812      13.55789 
1 1 1 -3  21 18 o 38.56755 5.346674  -0.1662865     10.69335 
1 1 1 -3  21 19 f 35.21381 5.289549  -17.50228      10.57910 
1 1 1 -3  21 20 o 56.79084 4.273678  ?              ?        
1 1 1 -3  21 21 o 24.04762 4.676207  -14.35452      9.352414 
1 1 1 -3  21 22 o 32.78741 4.688329  8.568983       9.376657 
1 1 1 -3  21 23 o 38.18765 4.289117  8.533009       8.578235 
1 1 1 -3  21 24 o 27.68583 4.206373  -11.59559      8.412746 
1 1 1 -3  21 25 o 20.80171 4.578547  1.860689       9.157095 
1 1 1 -3  21 26 o 15.18077 4.277943  -1.911664      8.555885 
1 1 1 -3  22 1  o 86.94292 5.877657  ?              ?        
1 1 1 -3  22 2  x ?        ?         ?              ?        
1 1 1 -3  22 3  x ?        ?         ?              ?        
1 1 1 -3  22 4  x ?        ?         ?              ?        
1 1 1 -3  22 5  x ?        ?         ?              ?        
1 1 1 -3  22 6  x ?        ?         ?              ?        
1 1 1 -3  22 7  x ?        ?         ?              ?        
1 1 1 -3  22 8  f 71.48209 6.751560  ?              ?        
1 1 1 -3  22 9  o 43.43882 8.601551  ?              ?        
1 1 1 -3  22 10 o 29.61314 6.502372  18.93482       13.00474 
1 1 1 -3  22 11 o 67.19800 4.874824  -16.84939      9.749647 
1 1 1 -3  22 12 o 91.92661 4.329344  -15.34949      8.658689 
1 1 1 -3  22 13 f 52.04853 5.472248  -8.269615      10.94450 
1 1 1 -3  22 14 o 29.80954 9.717655  ?              ?        
1 1 1 -3  22 15 o 62.69834 4.654030  1.517204       9.308060 
1 1 1 -3  22 16 o 19.81131 5.680987  5.340128       11.36197 
1 1 1 -3  22 17 f 25.27130 7.498981  ?              ?        
1 1 1 -3  22 18 f 37.10718 5.008845  7.418396       10.01769 
1 1 1 -3  22 19 o 55.07225 3.831594  10.38876       7.663189 
1 1 1 -3  22 20 o 19.42135 5.090570  12.21915       10.18114 
1 1 1 -3  22 21 o 27.18795 4.899009  5.096106       9.798018 
1 1 1 -3  22 22 o 37.93622 3.687086  -0.9138870E-01 7.374171 
1 1 1 -3  22 23 o 18.69280 4.498262  -4.679773      8.996525 
1 1 1 -3  22 24 o 26.83250 4.332572  0.5042706      8.665143 
1 1 1 -3  22 25 f 10.89725 3.590790  -1.086797      7.181581 
1 1 1 -3  23 1  o 18.17084 8.135707  ?              ?        
1 1 1 -3  23 2  x ?        ?         ?              ?        
1 1 1 -3  23 3  x ?        ?         ?              ?        
1 1 1 -3  23 4  x ?        ?         ?              ?        
1 1 1 -3  23 5  x ?        ?         ?              ?        
1 1 1 -3  23 6  x ?        ?         ?              ?        
1 1 1 -3  23 7  x ?        ?         ?              ?        
1 1 1 -3  23 8  o 71.92546 6.993309  ?              ?        
1 1 1 -3  23 9  x ?        ?         ?              ?        
1 1 1 -3  23 10 x ?        ?         ?              ?        
1 1 1 -3  23 11 f 47.10064 6.006830  -16.40724      12.01366 
1 1 1 -3  23 12 o 61.56698 4.951006  -8.557957      9.902013 
1 1 1 -3  23 13 o 41.20049 6.169513  -9.673527      12.33903 
1 1 1 -3  23 14 o 18.82158 8.193629  ?              ?        
1 1 1 -3  23 15 o 41.03394 5.912672  8.813168       11.82534 
1 1 1 -3  23 16 o 31.12356 5.768748  21.59506       11.53750 
1 1 1 -3  23 17 o 30.49340 5.907018  -8.278038      11.81404 
1 1 1 -3  23 18 o 51.78566 3.735400  -1.585045      7.470800 
1 1 1 -3  23 19 o 17.35411 4.950897  4.184734       9.901794 
1 1 1 -3  23 20 o 18.84062 4.708612  7.477423       9.417224 
1 1 1 -3  23 21 o 12.15821 3.763920  -4.517864      7.527840 
1 1 1 -3  23 22 o 28.43821 4.312811  -14.80817      8.625622 
1 1 1 -3  23 23 o 28.20337 5.495152  9.143265       10.99030 
1 1 1 -3  23 24 o 18.09450 4.958169  -11.60467      9.916339 
1 1 1 -3  24 1  o 74.95107 6.453063  ?              ?        
1 1 1 -3  24 2  x ?        ?         ?              ?        
1 1 1 -3  24 3  x ?        ?         ?              ?        
1 1 1 -3  24 4  x ?        ?         ?              ?        
1 1 1 -3  24 5  x ?        ?         ?              ?        
1 1 1 -3  24 6  x ?        ?         ?              ?        
1 1 1 -3  24 7  x ?        ?         ?              ?        
1 1 1 -3  24 8  x ?        ?         ?              ?        
1 1 1 -3  24 9  o 74.76060 6.338305  ?              ?        
1 1 1 -3  24 10 o 82.25428 6.508463  ?              ?        
1 1 1 -3  24 11 o 122.2200 5.723041  ?              ?        
1 1 1 -3  24 12 o 55.18419 5.475133  0.6563225      10.95027 
1 1 1 -3  24 13 o 45.73681 5.807509  9.991863       11.61502 
1 1 1 -3  24 14 o 55.96816 4.790638  22.16626       9.581276 
1 1 1 -3  24 15 o 60.62629 4.587125  7.166824       9.174251 
1 1 1 -3  24 16 o 21.32386 5.550822  -5.779770      11.10164 
1 1 1 -3  24 17 o 21.77535 5.030021  -6.103895      10.06004 
1 1 1 -3  24 18 o 20.91564 5.064036  -0.5182343     10.12807 
1 1 1 -3  24 19 o 26.51119 4.815972  -5.716377      9.631944 
1 1 1 -3  24 20 o 16.20449 4.240814  -5.777679      8.481628 
1 1 1 -3  24 21 o 18.40448 5.092612  -5.258125      10.18522 
1 1 1 -3  24 22 o 18.95720 4.758469  9.520671       9.516937 
1 1 1 -3  25 1  o 73.38387 6.480477  ?              ?        
1 1 1 -3  25 2  x ?        ?         ?              ?        
1 1 1 -3  25 3  x ?        ?         ?              ?        
1 1 1 -3  25 4  x ?        ?         ?              ?        
1 1 1 -3  25 5  x ?        ?         ?              ?        
1 1 1 -3  25 6  x ?        ?         ?              ?        
1 1 1 -3  25 7  x ?        ?         ?              ?        
1 1 1 -3  25 8  x ?        ?         ?              ?        
1 1 1 -3  25 9  o 15.29776 7.168985  ?              ?        
1 1 1 -3  25 10 o 15.47795 7.152392  ?              ?        
1 1 1 -3  25 11 o 27.58031 8.745961  ?              ?        
1 1 1 -3  25 12 o 29.52159 8.456161  ?              ?        
1 1 1 -3  25 13 o 25.64417 8.382344  ?              ?        
1 1 1 -3  25 14 o 43.16964 4.869658  -9.959225      9.739315 
1 1 1 -3  25 15 o 24.46096 5.692063  3.000000       11.38413 
1 1 1 -3  25 16 o 12.52559 4.154324  -2.248763      8.308647 
1 1 1 -3  25 17 o 21.79151 4.612021  -12.38943      9.224043 
1 1 1 -3  25 18 o 17.05504 5.035672  -4.494130      10.07134 
1 1 1 -3  25 19 o 17.89471 5.132427  -2.203753      10.26485 
1 1 1 -3  25 20 o 18.91728 5.237882  -5.953280      10.47576 
1 1 1 -3  26 1  o 47.45560 6.804078  ?              ?        
1 1 1 -3  26 2  x ?        ?         ?              ?        
1 1 1 -3  26 3  x ?        ?         ?              ?        
1 1 1 -3  26 4  x ?        ?         ?              ?        
1 1 1 -3  26 5  x ?        ?         ?              ?        
1 1 1 -3  26 6  o 75.59714 6.261532  ?              ?        
1 1 1 -3  26 7  x ?        ?         ?              ?        
1 1 1 -3  26 8  x ?        ?         ?              ?        
1 1 1 -3  26 9  o 70.97353 5.462355  ?              ?        
1 1 1 -3  26 10 o 33.48793 7.482524  ?              ?        
1 1 1 -3  26 11 o 22.14609 7.525880  ?              ?        
1 1 1 -3  26 12 o 17.81392 6.891679  ?              ?        
1 1 1 -3  26 13 o 29.41160 6.741454  ?              ?        
1 1 1 -3  26 14 x ?        ?         ?              ?        
1 1 1 -3  26 15 x ?        ?         ?              ?        
1 1 1 -3  26 16 o 27.35194 7.715965  ?              ?        
1 1 1 -3  26 17 x ?        ?         ?              ?        
1 1 1 -3  26 18 o 20.71772 8.036392  ?              ?        
1 1 1 -3  27 1  o 50.47862 6.826298  ?              ?        
1 1 1 -3  27 2  x ?        ?         ?              ?        
1 1 1 -3  27 3  x ?        ?         ?              ?        
1 1 1 -3  27 4  x ?        ?         ?              ?        
1 1 1 -3  27 5  x ?        ?         ?              ?        
1 1 1 -3  27 6  o 38.11061 7.135849  ?              ?        
1 1 1 -3  27 7  o 15.16255 6.598035  ?              ?        
1 1 1 -3  27 8  x ?        ?         ?              ?        
1 1 1 -3  27 9  x ?        ?         ?              ?        
1 1 1 -3  27 10 x ?        ?         ?              ?        
1 1 1 -3  27 11 x ?        ?         ?              ?        
1 1 1 -3  27 12 x ?        ?         ?              ?        
1 1 1 -3  27 13 x ?        ?         ?              ?        
1 1 1 -3  27 14 x ?        ?         ?              ?        
1 1 1 -3  27 15 x ?        ?         ?              ?        
1 1 1 -3  27 16 x ?        ?         ?              ?        
1 1 1 -3  28 1  x ?        ?         ?              ?        
1 1 1 -3  28 2  x ?        ?         ?              ?        
1 1 1 -3  28 3  x ?        ?         ?              ?        
1 1 1 -3  28 4  x ?        ?         ?              ?        
1 1 1 -3  28 5  x ?        ?         ?              ?        
1 1 1 -3  28 6  x ?        ?         ?              ?        
1 1 1 -3  28 7  x ?        ?         ?              ?        
1 1 1 -3  28 8  x ?        ?         ?              ?        
1 1 1 -3  28 9  x ?        ?         ?              ?        
1 1 1 -3  28 10 x ?        ?         ?              ?        
1 1 1 -3  28 11 x ?        ?         ?              ?        
1 1 1 -3  28 12 x ?        ?         ?              ?        
1 1 1 -3  28 13 x ?        ?         ?              ?        
1 1 1 -3  29 1  x ?        ?         ?              ?        
1 1 1 -3  29 2  x ?        ?         ?              ?        
1 1 1 -3  29 3  x ?        ?         ?              ?        
1 1 1 -3  29 4  x ?        ?         ?              ?        
1 1 1 -3  29 5  x ?        ?         ?              ?        
1 1 1 -3  29 6  x ?        ?         ?              ?        
1 1 1 -3  29 7  x ?        ?         ?              ?        
1 1 1 -3  29 8  x ?        ?         ?              ?        
1 1 1 -3  29 9  x ?        ?         ?              ?        
1 1 1 -3  29 10 x ?        ?         ?              ?        
1 1 1 -3  30 1  x ?        ?         ?              ?        
1 1 1 -3  30 2  x ?        ?         ?              ?        
1 1 1 -3  30 3  x ?        ?         ?              ?        
1 1 1 -2  0  1  o 153.8579 2.085986  -0.000000      0.000000 
1 1 1 -2  0  2  x ?        ?         ?              ?        
1 1 1 -2  0  3  o 127.1558 2.536935  -0.000000      0.000000 
1 1 1 -2  0  4  o 27.51387 0.9844069 -0.000000      0.000000 
1 1 1 -2  0  5  o 212.8463 2.890636  -0.000000      0.000000 
1 1 1 -2  0  6  o 753.5097 9.972261  -0.000000      0.000000 
1 1 1 -2  0  7  o 303.7042 5.797482  -0.000000      0.000000 
1 1 1 -2  0  8  o 169.6133 2.401345  -0.000000      0.000000 
1 1 1 -2  0  9  o 234.5482 4.502920  -0.000000      0.000000 
1 1 1 -2  0  10 o 139.3165 2.082491  -0.000000      0.000000 
1 1 1 -2  0  11 o 183.0196 2.613075  -0.000000      0.000000 
1 1 1 -2  0  12 o 116.1258 1.866336  -0.000000      0.000000 
1 1 1 -2  0  13 o 337.4644 4.570258  -0.000000      0.000000 
1 1 1 -2  0  14 o 44.65869 1.649955  -0.000000      0.000000 
1 1 1 -2  0  15 o 43.48186 1.768547  -0.000000      0.000000 
1 1 1 -2  0  16 o 127.2869 3.325502  -0.000000      0.000000 
1 1 1 -2  0  17 o 65.02218 1.946289  -0.000000      0.000000 
1 1 1 -2  0  18 o 76.57722 1.984274  -0.000000      0.000000 
1 1 1 -2  0  19 o 39.41828 2.619859  -0.000000      0.000000 
1 1 1 -2  0  20 x ?        ?         ?              ?        
1 1 1 -2  0  21 o 19.75624 4.727234  -0.000000      0.000000 
1 1 1 -2  0  22 o 4.901714 3.528689  -0.000000      0.000000 
1 1 1 -2  0  23 o 66.54224 2.162702  -0.000000      0.000000 
1 1 1 -2  0  24 o 165.3290 2.762193  -0.000000      0.000000 
1 1 1 -2  0  25 o 141.4418 4.052119  -0.000000      0.000000 
1 1 1 -2  0  26 o 24.38028 4.848051  -0.000000      0.000000 
1 1 1 -2  0  27 o 63.86723 3.347010  -0.000000      0.000000 
1 1 1 -2  0  28 o 225.1703 3.623710  -0.000000      0.000000 
1 1 1 -2  0  29 o 170.9500 3.169980  -0.000000      0.000000 
1 1 1 -2  0  30 o 81.81983 2.917883  -0.000000      0.000000 
1 1 1 -2  0  31 o 85.08430 2.921825  -0.000000      0.000000 
1 1 1 -2  0  32 o 47.41535 3.702460  -0.000000      0.000000 
1 1 1 -2  0  33 o 20.91823 7.323639  -0.000000      0.000000 
1 1 1 -2  0  34 x ?        ?         ?              ?        
1 1 1 -2  0  35 o 20.00778 9.308757  -0.000000      0.000000 
1 1 1 -2  0  36 o 8.315566 5.457834  -0.000000      0.000000 
1 1 1 -2  1  1  o 167.9554 1.671587  -6.763092      3.343173 
1 1 1 -2  1  2  o 170.9346 3.419690  ?              ?        
1 1 1 -2  1  3  o 323.3032 4.357759  11.21863       8.715517 
1 1 1 -2  1  4  o 273.1160 2.623107  7.012299       5.246215 
1 1 1 -2  1  5  o 346.7323 3.299342  -8.760742      6.598685 
1 1 1 -2  1  6  o 703.9105 9.357162  ?              ?        
1 1 1 -2  1  7  o 253.8429 3.102846  10.45215       6.205693 
1 1 1 -2  1  8  o 252.4437 2.456551  -12.93675      4.913102 
1 1 1 -2  1  9  o 215.0543 3.000298  -6.621216      6.000595 
1 1 1 -2  1  10 o 192.8016 1.937512  4.458206       3.875024 
1 1 1 -2  1  11 o 167.1952 1.730623  2.457901       3.461246 
1 1 1 -2  1  12 o 337.6299 3.243008  -14.85645      6.486015 
1 1 1 -2  1  13 o 178.4332 1.845339  -4.123703      3.690677 
1 1 1 -2  1  14 o 189.1355 1.937823  -3.193008      3.875645 
1 1 1 -2  1  15 o 215.1420 2.176445  8.264511       4.352891 
1 1 1 -2  1  16 o 134.2471 2.367853  2.788330       4.735707 
1 1 1 -2  1  17 o 248.4050 2.491745  -3.832901      4.983489 
1 1 1 -2  1  18 o 277.0105 3.387909  6.310791       6.775818 
1 1 1 -2  1  19 o 173.2109 1.922447  2.706772       3.844894 
1 1 1 -2  1  20 f 213.8998 2.255325  -3.400772      4.510650 
1 1 1 -2  1  21 f 88.77010 1.480905  -3.560272      2.961810 
1 1 1 -2  1  22 o 39.01634 1.844252  2.284706       3.688504 
1 1 1 -2  1  23 o 58.31322 1.600430  1.894047       3.200859 
1 1 1 -2  1  24 o 105.7380 1.628419  -0.4837723     3.256838 
1 1 1 -2  1  25 o 71.40138 2.824208  -6.593231      5.648417 
1 1 1 -2  1  26 o 79.84932 1.752936  3.730202       3.505873 
1 1 1 -2  1  27 o 35.84286 3.111364  -7.216026      6.222727 
1 1 1 -2  1  28 o 82.11052 1.959322  -3.200645      3.918643 
1 1 1 -2  1  29 o 71.15363 2.351452  0.4879684      4.702904 
1 1 1 -2  1  30 o 29.78729 3.826600  -5.553511      7.653200 
1 1 1 -2  1  31 o 45.78327 2.625331  5.206207       5.250662 
1 1 1 -2  1  32 o 17.16003 4.344907  -2.447762      8.689814 
1 1 1 -2  1  33 o 48.80324 3.406589  4.126671       6.813179 
1 1 1 -2  1  34 o 27.60796 3.793728  -5.505262      7.587455 
1 1 1 -2  1  35 o 35.73714 4.221301  -6.737999      8.442601 
1 1 1 -2  1  36 o 18.26769 4.159425  -3.712746      8.318850 
1 1 1 -2  2  1  o 171.7978 2.453437  1.326416       4.906875 
1 1 1 -2  2  2  o 274.2427 3.773436  -8.566864      7.546871 
1 1 1 -2  2  3  o 53.65795 1.254922  4.010590       2.509844 
1 1 1 -2  2  4  o 275.5437 2.682740  -3.262939      5.365480 
1 1 1 -2  2  5  o 168.0534 1.767954  6.401031       3.535908 
1 1 1 -2  2  6  o 362.1504 4.922907  -23.61804      9.845814 
1 1 1 -2  2  7  o 201.0468 2.051009  -0.7910156E-01 4.102019 
1 1 1 -2  2  8  o 83.35475 1.418282  -9.544029      2.836565 
1 1 1 -2  2  9  o 218.4141 2.727474  0.2700195      5.454948 
1 1 1 -2  2  10 o 239.3575 2.394765  -3.330673      4.789531 
1 1 1 -2  2  11 o 79.00341 1.211776  6.757492       2.423552 
1 1 1 -2  2  12 o 242.0511 2.967697  1.273987       5.935395 
1 1 1 -2  2  13 o 114.1371 1.430367  -2.713776      2.860734 
1 1 1 -2  2  14 o 368.2350 3.542490  0.5561829      7.084980 
1 1 1 -2  2  15 f 27.63179 2.150786  -7.063229      4.301572 
1 1 1 -2  2  16 o 150.1125 2.508298  13.15358       5.016595 
1 1 1 -2  2  17 o 165.4401 1.864005  -6.320129      3.728009 
1 1 1 -2  2  18 o 96.80856 2.044585  4.397133       4.089170 
1 1 1 -2  2  19 f 116.2163 1.614916  4.463821       3.229832 
1 1 1 -2  2  20 o 123.2788 1.641421  2.172081       3.282841 
1 1 1 -2  2  21 o 93.98443 1.546145  1.772766       3.092291 
1 1 1 -2  2  22 o 112.6219 1.635031  -0.1811523     3.270061 
1 1 1 -2  2  23 o 98.38225 1.619370  -2.990692      3.238739 
1 1 1 -2  2  24 o 98.28677 1.667593  1.676453       3.335187 
1 1 1 -2  2  25 o 95.63822 2.734694  0.2790833E-01  5.469388 
1 1 1 -2  2  26 o 123.5350 1.855247  5.181877       3.710495 
1 1 1 -2  2  27 o 23.70504 4.395293  -1.684994      8.790586 
1 1 1 -2  2  28 f 87.07182 1.963678  8.877174       3.927355 
1 1 1 -2  2  29 o 61.29531 3.337847  -0.9804535     6.675694 
1 1 1 -2  2  30 o 22.28327 4.392860  1.351208       8.785721 
1 1 1 -2  2  31 o 36.98733 3.074073  8.574978       6.148145 
1 1 1 -2  2  32 o 86.46361 2.139725  -7.205101      4.279449 
1 1 1 -2  2  33 o 30.76461 4.525166  -11.30508      9.050332 
1 1 1 -2  2  34 o 32.04082 4.435055  ?              ?        
1 1 1 -2  2  35 o 35.91779 4.202828  -4.303276      8.405657 
1 1 1 -2  2  36 o 26.90775 5.296324  ?              ?        
1 1 1 -2  3  1  o 245.0110 3.393762  -0.9299774     6.787524 
1 1 1 -2  3  2  o 57.02077 2.063223  ?              ?        
1 1 1 -2  3  3  o 294.6068 4.084052  -7.156860      8.168104 
1 1 1 -2  3  4  o 377.3330 3.629766  -10.74924      7.259532 
1 1 1 -2  3  5  o 222.8230 3.214602  -10.59871      6.429204 
1 1 1 -2  3  6  o 224.6385 2.296169  -4.692551      4.592337 
1 1 1 -2  3  7  o 85.44383 1.637961  -8.209816      3.275922 
1 1 1 -2  3  8  o 120.8407 1.871496  3.659134       3.742991 
1 1 1 -2  3  9  o 339.4013 3.321810  0.4462891      6.643620 
1 1 1 -2  3  10 o 198.9447 2.103637  1.321442       4.207275 
1 1 1 -2  3  11 o 196.2309 2.086751  1.883728       4.173502 
1 1 1 -2  3  12 o 293.6294 4.160129  0.2770996      8.320257 
1 1 1 -2  3  13 o 214.1192 2.244066  -7.203018      4.488132 
1 1 1 -2  3  14 o 139.1292 1.678585  -0.3917847     3.357170 
1 1 1 -2  3  15 o 181.9007 2.357253  -2.809875      4.714506 
1 1 1 -2  3  16 o 197.2861 2.673750  -5.893265      5.347500 
1 1 1 -2  3  17 o 258.9957 2.640924  -2.286682      5.281848 
1 1 1 -2  3  18 o 152.1554 2.262215  -3.044724      4.524429 
1 1 1 -2  3  19 o 147.2408 1.821374  2.338165       3.642748 
1 1 1 -2  3  20 o 85.59095 1.586333  -9.165131      3.172665 
1 1 1 -2  3  21 o 51.51668 1.790859  1.020840       3.581718 
1 1 1 -2  3  22 o 138.8852 1.822934  3.185928       3.645868 
1 1 1 -2  3  23 o 109.7798 1.699648  -2.033730      3.399295 
1 1 1 -2  3  24 o 90.68623 2.063769  -3.704872      4.127538 
1 1 1 -2  3  25 o 78.22792 2.451376  -1.752617      4.902752 
1 1 1 -2  3  26 o 45.35442 2.334199  1.252766       4.668397 
1 1 1 -2  3  27 f 19.28962 4.214680  -7.446519      8.429359 
1 1 1 -2  3  28 o 48.29111 2.603540  -3.916187      5.207080 
1 1 1 -2  3  29 o 121.0234 2.983958  7.877098       5.967917 
1 1 1 -2  3  30 o 14.74920 4.187104  -1.783512      8.374208 
1 1 1 -2  3  31 o 46.50023 3.265360  ?              ?        
1 1 1 -2  3  32 o 39.23173 2.889775  -1.289116      5.779550 
1 1 1 -2  3  33 o 33.68605 4.310461  -1.829136      8.620922 
1 1 1 -2  3  34 o 23.36465 4.206181  -1.611046      8.412362 
1 1 1 -2  3  35 o 28.60677 4.198682  -22.04254      8.397365 
1 1 1 -2  3  36 o 19.30268 3.858703  -12.38724      7.717406 
1 1 1 -2  4  1  o 284.3267 3.930848  -16.67120      7.861696 
1 1 1 -2  4  2  o 113.0353 2.747041  ?              ?        
1 1 1 -2  4  3  o 481.7144 9.170726  ?              ?        
1 1 1 -2  4  4  o 32.12101 1.841468  -8.365757      3.682935 
1 1 1 -2  4  5  o 152.9193 2.109716  -5.284210      4.219433 
1 1 1 -2  4  6  o 259.7413 5.349431  ?              ?        
1 1 1 -2  4  7  o 166.5377 2.330897  -2.955551      4.661794 
1 1 1 -2  4  8  o 97.16717 1.502877  5.872742       3.005753 
1 1 1 -2  4  9  o 263.8627 2.693527  1.706024       5.387055 
1 1 1 -2  4  10 o 102.5998 1.526267  4.824806       3.052534 
1 1 1 -2  4  11 o 408.7767 3.969284  -10.37997      7.938568 
1 1 1 -2  4  12 o 264.2768 3.868076  4.035492       7.736151 
1 1 1 -2  4  13 o 296.7169 2.989014  1.850861       5.978027 
1 1 1 -2  4  14 o 235.8704 2.982070  -5.680832      5.964139 
1 1 1 -2  4  15 o 302.6783 3.780804  1.841919       7.561608 
1 1 1 -2  4  16 o 134.2581 1.787644  -4.047897      3.575288 
1 1 1 -2  4  17 o 100.8177 2.160688  10.16062       4.321376 
1 1 1 -2  4  18 f 240.5821 3.099873  7.172302       6.199746 
1 1 1 -2  4  19 o 110.7946 1.717835  -1.439468      3.435669 
1 1 1 -2  4  20 o 62.44954 1.753320  2.184696       3.506641 
1 1 1 -2  4  21 o 64.19866 1.723859  2.912064       3.447718 
1 1 1 -2  4  22 o 55.38681 1.841916  2.201126       3.683832 
1 1 1 -2  4  23 o 74.64204 1.760010  1.806984       3.520021 
1 1 1 -2  4  24 o 74.69044 2.085540  0.4215317      4.171081 
1 1 1 -2  4  25 o 25.46162 4.352909  11.45811       8.705817 
1 1 1 -2  4  26 o 126.5433 2.474599  3.050369       4.949197 
1 1 1 -2  4  27 o 51.32214 2.690308  -4.816273      5.380617 
1 1 1 -2  4  28 o 46.77543 3.006245  -14.29592      6.012491 
1 1 1 -2  4  29 o 100.0956 2.937533  -7.686668      5.875065 
1 1 1 -2  4  30 o 44.16528 2.838781  4.084919       5.677561 
1 1 1 -2  4  31 o 66.56622 2.380094  -3.301140      4.760189 
1 1 1 -2  4  32 o 44.49532 3.580400  -8.811157      7.160800 
1 1 1 -2  4  33 o 22.04723 3.908827  -17.33924      7.817654 
1 1 1 -2  4  34 o 16.37163 4.664797  -2.271104      9.329595 
1 1 1 -2  4  35 o 12.54195 3.989499  -6.402265      7.978997 
1 1 1 -2  4  36 o 15.42125 4.082417  -5.878525      8.164833 
1 1 1 -2  5  1  o 232.8485 3.315502  1.243652       6.631003 
1 1 1 -2  5  2  o 146.8710 2.384876  -12.18732      4.769751 
1 1 1 -2  5  3  o 207.4005 4.316044  ?              ?        
1 1 1 -2  5  4  o 216.2078 4.518878  ?              ?        
1 1 1 -2  5  5  o 139.0972 2.366611  0.4501343E-01  4.733221 
1 1 1 -2  5  6  o 162.2810 2.282444  -5.710434      4.564887 
1 1 1 -2  5  7  o 311.8476 3.791939  -8.016449      7.583878 
1 1 1 -2  5  8  o 302.5301 3.065224  -1.312012      6.130448 
1 1 1 -2  5  9  f 255.3461 3.732491  ?              ?        
1 1 1 -2  5  10 o 136.9239 1.792345  -6.755051      3.584689 
1 1 1 -2  5  11 o 89.85472 1.619128  3.013443       3.238256 
1 1 1 -2  5  12 o 272.8849 3.468862  -2.899017      6.937725 
1 1 1 -2  5  13 o 46.05338 2.190747  0.1873512      4.381495 
1 1 1 -2  5  14 f 331.2527 4.132817  5.071167       8.265634 
1 1 1 -2  5  15 o 262.7518 2.753306  -1.143707      5.506612 
1 1 1 -2  5  16 o 314.2399 3.973493  4.809601       7.946986 
1 1 1 -2  5  17 o 91.62180 2.346613  -4.585213      4.693225 
1 1 1 -2  5  18 o 48.46896 2.380121  -7.578327      4.760243 
1 1 1 -2  5  19 o 107.0313 1.801367  0.8228607      3.602733 
1 1 1 -2  5  20 o 52.82329 1.999971  0.9305229      3.999941 
1 1 1 -2  5  21 f 124.3024 1.841388  -1.784698      3.682776 
1 1 1 -2  5  22 o 68.33437 1.864652  -1.909477      3.729304 
1 1 1 -2  5  23 o 116.7355 2.047092  5.195442       4.094185 
1 1 1 -2  5  24 o 150.5241 2.711210  10.17685       5.422420 
1 1 1 -2  5  25 o 33.15705 3.045298  8.227638       6.090597 
1 1 1 -2  5  26 o 142.7384 2.094349  -2.844177      4.188698 
1 1 1 -2  5  27 o 66.47374 2.320330  -0.2515793     4.640661 
1 1 1 -2  5  28 o 22.50107 4.592546  -1.189280      9.185092 
1 1 1 -2  5  29 o 68.58945 2.469195  -4.719604      4.938389 
1 1 1 -2  5  30 o 79.24927 2.316803  -0.4487228     4.633606 
1 1 1 -2  5  31 o 69.56344 2.489759  -13.55738      4.979518 
1 1 1 -2  5  32 o 50.30967 3.279944  -12.58062      6.559889 
1 1 1 -2  5  33 o 18.94794 4.444489  -7.117320      8.888979 
1 1 1 -2  5  34 o 24.60804 4.361776  -11.24923      8.723552 
1 1 1 -2  5  35 o 14.12246 4.245125  0.8149910      8.490251 
1 1 1 -2  5  36 o 14.62264 4.175077  -4.406799      8.350154 
1 1 1 -2  6  1  o 168.3933 3.703835  ?              ?        
1 1 1 -2  6  2  o 115.4521 2.119915  1.069717       4.239830 
1 1 1 -2  6  3  o 46.28382 2.705745  ?              ?        
1 1 1 -2  6  4  o 210.2964 3.177410  -4.325958      6.354820 
1 1 1 -2  6  5  o 211.9938 3.213346  -4.895065      6.426693 
1 1 1 -2  6  6  o 79.37271 2.124168  -7.291077      4.248337 
1 1 1 -2  6  7  o 181.8587 2.577672  -0.2577667     5.155344 
1 1 1 -2  6  8  o 164.4224 2.423505  -3.560806      4.847011 
1 1 1 -2  6  9  o 164.2018 2.445168  -3.442200      4.890335 
1 1 1 -2  6  10 o 174.5401 2.112432  -3.134644      4.224863 
1 1 1 -2  6  11 o 298.1659 3.075702  4.053467       6.151404 
1 1 1 -2  6  12 o 252.9775 3.248985  8.070541       6.497969 
1 1 1 -2  6  13 o 151.3045 2.778791  3.606995       5.557583 
1 1 1 -2  6  14 o 387.5826 3.849467  5.187469       7.698933 
1 1 1 -2  6  15 o 404.5700 5.022382  12.03909       10.04476 
1 1 1 -2  6  16 o 199.8338 2.927617  -6.589005      5.855234 
1 1 1 -2  6  17 o 76.24373 1.998800  5.577888       3.997599 
1 1 1 -2  6  18 o 158.9151 2.104453  2.674347       4.208907 
1 1 1 -2  6  19 o 124.5547 1.914736  -0.6295624     3.829473 
1 1 1 -2  6  20 o 150.6026 2.036888  2.963135       4.073775 
1 1 1 -2  6  21 o 11.47791 3.358295  -2.484228      6.716590 
1 1 1 -2  6  22 o 88.37969 2.032552  -1.497299      4.065104 
1 1 1 -2  6  23 o 19.48107 3.932946  9.804598       7.865892 
1 1 1 -2  6  24 o 98.73476 1.997074  9.398964       3.994148 
1 1 1 -2  6  25 o 114.8628 2.679477  2.057495       5.358954 
1 1 1 -2  6  26 o 53.62247 2.879044  4.223042       5.758088 
1 1 1 -2  6  27 o 97.95233 2.202644  1.030205       4.405287 
1 1 1 -2  6  28 f 123.3174 2.207999  2.702011       4.415997 
1 1 1 -2  6  29 o 54.80460 2.732184  -3.429104      5.464368 
1 1 1 -2  6  30 o 59.91286 2.652982  -13.17868      5.305964 
1 1 1 -2  6  31 o 31.20412 4.737403  -6.996956      9.474807 
1 1 1 -2  6  32 o 64.63651 3.799347  ?              ?        
1 1 1 -2  6  33 o 13.97791 4.429379  2.890312       8.858758 
1 1 1 -2  6  34 o 29.08428 4.701148  -18.57032      9.402295 
1 1 1 -2  6  35 o 28.97520 3.868996  -10.95398      7.737993 
1 1 1 -2  7  1  o 356.4544 4.956155  1.365662       9.912310 
1 1 1 -2  7  2  o 132.7840 2.398160  5.105881       4.796321 
1 1 1 -2  7  3  o 84.06737 2.899087  ?              ?        
1 1 1 -2  7  4  o 201.8521 3.155664  0.4587860      6.311328 
1 1 1 -2  7  5  o 243.0235 3.620167  1.005936       7.240334 
1 1 1 -2  7  6  o 256.0179 3.789710  -2.156311      7.579421 
1 1 1 -2  7  7  o 251.8546 3.771145  -0.5658417     7.542290 
1 1 1 -2  7  8  o 317.0649 3.945723  -3.975983      7.891447 
1 1 1 -2  7  9  o 179.0828 4.340551  ?              ?        
1 1 1 -2  7  10 o 359.3883 4.415008  -2.577423      8.830015 
1 1 1 -2  7  11 o 103.9754 2.616390  3.030655       5.232780 
1 1 1 -2  7  12 f 423.2656 5.187128  9.390778       10.37426 
1 1 1 -2  7  13 o 362.1989 5.200974  -2.922241      10.40195 
1 1 1 -2  7  14 o 211.6443 3.102784  -1.439987      6.205569 
1 1 1 -2  7  15 o 229.9159 3.165301  10.77742       6.330602 
1 1 1 -2  7  16 o 204.8439 2.458141  11.64871       4.916281 
1 1 1 -2  7  17 o 187.9877 2.339108  -0.9580383     4.678217 
1 1 1 -2  7  18 o 90.26196 2.035321  -4.965767      4.070642 
1 1 1 -2  7  19 o 94.49287 1.988434  -12.00445      3.976867 
1 1 1 -2  7  20 o 49.47653 4.040229  ?              ?        
1 1 1 -2  7  21 o 173.3416 3.513852  ?              ?        
1 1 1 -2  7  22 o 61.78542 2.184717  2.963490       4.369433 
1 1 1 -2  7  23 o 47.47057 3.129633  8.640720       6.259266 
1 1 1 -2  7  24 o 80.14809 2.854141  4.441261       5.708282 
1 1 1 -2  7  25 o 32.30991 4.547013  -7.727451      9.094027 
1 1 1 -2  7  26 o 33.01031 3.442055  12.83998       6.884109 
1 1 1 -2  7  27 o 68.07366 2.554982  2.660156       5.109965 
1 1 1 -2  7  28 o 41.66724 3.370450  -3.483494      6.740899 
1 1 1 -2  7  29 o 81.35751 2.418836  -15.26177      4.837672 
1 1 1 -2  7  30 f 31.09153 4.149305  -15.31999      8.298610 
1 1 1 -2  7  31 o 62.44611 2.528341  -13.60263      5.056682 
1 1 1 -2  7  32 o 32.86279 4.356995  -1.964293      8.713989 
1 1 1 -2  7  33 o 59.45673 2.497371  -30.55537      4.994741 
1 1 1 -2  7  34 o 45.63096 3.727150  -34.10405      7.454300 
1 1 1 -2  7  35 o 20.69207 4.570032  -2.317093      9.140063 
1 1 1 -2  8  1  o 65.37493 2.044595  2.316986       4.089190 
1 1 1 -2  8  2  o 26.96952 3.112432  -4.327023      6.224864 
1 1 1 -2  8  3  o 132.8443 3.552917  ?              ?        
1 1 1 -2  8  4  o 111.3094 2.378791  -0.6880951     4.757582 
1 1 1 -2  8  5  o 93.85716 2.295570  -2.855064      4.591141 
1 1 1 -2  8  6  o 87.63372 2.351859  -5.375076      4.703719 
1 1 1 -2  8  7  o 128.0243 2.598018  -2.459305      5.196036 
1 1 1 -2  8  8  o 354.7645 5.148562  7.957764       10.29712 
1 1 1 -2  8  9  o 231.6324 3.704720  5.375656       7.409441 
1 1 1 -2  8  10 o 219.3150 3.093120  1.143646       6.186241 
1 1 1 -2  8  11 o 347.1504 4.312535  -7.822601      8.625070 
1 1 1 -2  8  12 o 281.1064 4.216032  ?              ?        
1 1 1 -2  8  13 x ?        ?         ?              ?        
1 1 1 -2  8  14 o 101.7852 2.636364  1.262970       5.272729 
1 1 1 -2  8  15 o 310.0829 4.048281  3.462524       8.096561 
1 1 1 -2  8  16 o 256.0088 2.866742  5.770035       5.733484 
1 1 1 -2  8  17 o 136.5250 2.168570  -3.076950      4.337141 
1 1 1 -2  8  18 o 134.0214 2.144780  -1.595215      4.289560 
1 1 1 -2  8  19 o 86.93472 2.105154  -2.988083      4.210308 
1 1 1 -2  8  20 o 140.4148 2.452096  1.592346       4.904191 
1 1 1 -2  8  21 o 74.20846 2.172921  -5.910583      4.345841 
1 1 1 -2  8  22 o 82.73593 2.697837  6.478798       5.395675 
1 1 1 -2  8  23 o 93.07111 2.899224  7.303299       5.798447 
1 1 1 -2  8  24 o 85.96930 2.700781  0.2862015      5.401562 
1 1 1 -2  8  25 o 62.96991 2.556202  1.559692       5.112404 
1 1 1 -2  8  26 o 31.04778 4.079083  12.36359       8.158166 
1 1 1 -2  8  27 o 112.5778 2.331171  -3.478714      4.662341 
1 1 1 -2  8  28 o 65.77968 2.675558  -1.532951      5.351116 
1 1 1 -2  8  29 o 35.11285 6.720325  ?              ?        
1 1 1 -2  8  30 o 35.66064 3.861258  -11.95355      7.722516 
1 1 1 -2  8  31 o 59.19798 3.157492  -18.94470      6.314984 
1 1 1 -2  8  32 o 52.12928 2.530776  -7.633842      5.061552 
1 1 1 -2  8  33 o 34.93018 3.942140  -9.966290      7.884279 
1 1 1 -2  8  34 f 40.73169 3.183050  -18.20941      6.366101 
1 1 1 -2  8  35 o 11.78074 3.918961  -3.164350      7.837921 
1 1 1 -2  9  1  o 395.5222 5.516015  3.994690       11.03203 
1 1 1 -2  9  2  o 156.1397 2.776643  -14.82927      5.553287 
1 1 1 -2  9  3  o 190.5193 4.391505  ?              ?        
1 1 1 -2  9  4  f 258.9322 3.917004  10.03360       7.834009 
1 1 1 -2  9  5  o 242.9237 3.775443  -10.13927      7.550886 
1 1 1 -2  9  6  o 250.2553 5.438660  ?              ?        
1 1 1 -2  9  7  o 48.74778 2.998992  7.781124       5.997985 
1 1 1 -2  9  8  o 167.3739 3.032971  0.2201385      6.065941 
1 1 1 -2  9  9  f 225.0316 3.198658  6.621918       6.397316 
1 1 1 -2  9  10 o 207.9403 3.519859  ?              ?        
1 1 1 -2  9  11 o 68.37118 3.126240  -2.616257      6.252480 
1 1 1 -2  9  12 o 339.0867 4.401538  12.00720       8.803077 
1 1 1 -2  9  13 o 204.2155 4.931749  ?              ?        
1 1 1 -2  9  14 o 137.4712 2.748217  -6.348145      5.496434 
1 1 1 -2  9  15 f 48.11506 3.610221  8.375992       7.220442 
1 1 1 -2  9  16 o 238.0272 3.431491  5.207901       6.862982 
1 1 1 -2  9  17 o 206.7061 3.149711  0.8101349      6.299423 
1 1 1 -2  9  18 f 72.59618 2.840874  -1.834801      5.681748 
1 1 1 -2  9  19 o 125.3954 2.942527  6.518608       5.885054 
1 1 1 -2  9  20 o 12.63375 3.959053  6.114643       7.918107 
1 1 1 -2  9  21 o 49.44460 3.497399  -0.9569855     6.994798 
1 1 1 -2  9  22 o 129.5340 2.247491  -5.138275      4.494981 
1 1 1 -2  9  23 o 97.19751 2.749462  3.235985       5.498923 
1 1 1 -2  9  24 o 64.40245 2.610508  -1.780209      5.221016 
1 1 1 -2  9  25 o 75.08736 2.585106  4.149956       5.170212 
1 1 1 -2  9  26 o 17.45255 4.740302  17.10843       9.480604 
1 1 1 -2  9  27 o 80.67953 2.615572  -3.360786      5.231143 
1 1 1 -2  9  28 o 52.44135 3.781673  -4.454296      7.563345 
1 1 1 -2  9  29 o 39.68962 3.578417  -1.772568      7.156834 
1 1 1 -2  9  30 o 41.79446 3.706286  -20.58650      7.412572 
1 1 1 -2  9  31 o 39.52674 7.357664  ?              ?        
1 1 1 -2  9  32 o 33.96266 3.576223  -10.57204      7.152446 
1 1 1 -2  9  33 o 49.68595 2.953377  -23.89865      5.906754 
1 1 1 -2  9  34 o 17.41757 4.509904  -8.865323      9.019809 
1 1 1 -2  10 1  x ?        ?         ?              ?        
1 1 1 -2  10 2  o 178.4316 4.303395  ?              ?        
1 1 1 -2  10 3  o 181.0059 4.369230  ?              ?        
1 1 1 -2  10 4  o 54.40929 2.751148  -8.782063      5.502297 
1 1 1 -2  10 5  o 56.10268 2.752209  -9.852837      5.504418 
1 1 1 -2  10 6  o 440.0226 6.163188  3.049500       12.32638 
1 1 1 -2  10 7  o 318.8219 6.634880  ?              ?        
1 1 1 -2  10 8  o 314.9603 4.667962  -3.532318      9.335923 
1 1 1 -2  10 9  o 329.7617 4.858838  -9.292969      9.717675 
1 1 1 -2  10 10 o 323.2062 4.174443  0.1653442      8.348886 
1 1 1 -2  10 11 o 50.18442 3.552123  5.209599       7.104245 
1 1 1 -2  10 12 o 219.5967 3.261337  -1.271713      6.522673 
1 1 1 -2  10 13 o 115.5064 4.389048  ?              ?        
1 1 1 -2  10 14 o 281.3907 3.854994  1.482300       7.709988 
1 1 1 -2  10 15 o 182.7475 3.066941  5.989578       6.133882 
1 1 1 -2  10 16 o 221.9588 3.319973  0.5481262      6.639947 
1 1 1 -2  10 17 o 222.5583 3.345281  -1.785416      6.690562 
1 1 1 -2  10 18 o 113.3333 3.051091  10.26321       6.102182 
1 1 1 -2  10 19 o 88.99229 4.785769  ?              ?        
1 1 1 -2  10 20 o 152.8511 3.000790  ?              ?        
1 1 1 -2  10 21 o 79.90569 2.931221  2.384140       5.862442 
1 1 1 -2  10 22 o 24.07148 5.200198  -11.26595      10.40040 
1 1 1 -2  10 23 o 51.83496 3.625581  3.595295       7.251162 
1 1 1 -2  10 24 o 83.62343 3.128628  4.698631       6.257256 
1 1 1 -2  10 25 o 85.95451 3.384360  -4.814240      6.768720 
1 1 1 -2  10 26 o 76.56583 3.400144  5.596191       6.800289 
1 1 1 -2  10 27 o 84.03448 2.603477  -1.921974      5.206955 
1 1 1 -2  10 28 o 75.66540 3.961557  0.6194305      7.923115 
1 1 1 -2  10 29 o 79.94912 2.502897  -8.724289      5.005794 
1 1 1 -2  10 30 o 63.47747 3.537852  -11.27612      7.075704 
1 1 1 -2  10 31 o 24.21854 4.313942  -4.399542      8.627884 
1 1 1 -2  10 32 f 57.02241 3.150125  -26.53348      6.300250 
1 1 1 -2  10 33 o 22.26820 4.760079  -4.221283      9.520159 
1 1 1 -2  10 34 o 19.20625 4.316961  -15.41100      8.633922 
1 1 1 -2  11 1  o 29.76890 5.595908  ?              ?        
1 1 1 -2  11 2  o 139.6778 4.056576  ?              ?        
1 1 1 -2  11 3  x ?        ?         ?              ?        
1 1 1 -2  11 4  x ?        ?         ?              ?        
1 1 1 -2  11 5  o 197.1805 3.387868  0.4054565      6.775735 
1 1 1 -2  11 6  o 122.8827 2.879118  -8.184319      5.758236 
1 1 1 -2  11 7  o 331.7928 4.904160  -11.31903      9.808319 
1 1 1 -2  11 8  o 125.7398 2.997437  3.429543       5.994874 
1 1 1 -2  11 9  o 111.5210 3.010882  1.351738       6.021763 
1 1 1 -2  11 10 o 185.4268 3.481362  -0.2116394     6.962724 
1 1 1 -2  11 11 o 125.5859 3.211566  5.633720       6.423133 
1 1 1 -2  11 12 o 280.4260 3.831231  -4.863251      7.662462 
1 1 1 -2  11 13 o 193.2983 3.600985  ?              ?        
1 1 1 -2  11 14 o 101.8969 2.859442  9.443474       5.718884 
1 1 1 -2  11 15 o 52.87519 3.505624  -1.773205      7.011248 
1 1 1 -2  11 16 o 163.6734 3.399019  7.088928       6.798038 
1 1 1 -2  11 17 o 189.8409 3.163039  -2.523300      6.326078 
1 1 1 -2  11 18 o 90.38380 2.888224  -1.677742      5.776447 
1 1 1 -2  11 19 o 109.0028 2.898669  ?              ?        
1 1 1 -2  11 20 o 50.25555 3.587990  -0.6158066     7.175981 
1 1 1 -2  11 21 o 56.11191 3.919449  -3.343925      7.838898 
1 1 1 -2  11 22 o 166.6353 3.202086  12.79265       6.404171 
1 1 1 -2  11 23 f 53.46153 3.824981  5.303753       7.649962 
1 1 1 -2  11 24 o 80.44275 3.385777  19.15987       6.771554 
1 1 1 -2  11 25 o 47.91965 4.953308  -4.974289      9.906616 
1 1 1 -2  11 26 o 157.5799 3.621679  -5.606827      7.243357 
1 1 1 -2  11 27 f 23.34415 5.671849  14.27892       11.34370 
1 1 1 -2  11 28 o 25.68917 5.319504  -1.158911      10.63901 
1 1 1 -2  11 29 o 42.96169 4.878820  -21.41879      9.757641 
1 1 1 -2  11 30 o 15.07546 4.221060  -5.597842      8.442120 
1 1 1 -2  11 31 o 33.56776 4.954260  1.862141       9.908520 
1 1 1 -2  11 32 f 44.07012 4.954646  ?              ?        
1 1 1 -2  11 33 o 16.76214 4.569077  8.207492       9.138154 
1 1 1 -2  11 34 o 29.75908 6.623854  ?              ?        
1 1 1 -2  12 1  o 279.6185 6.054378  ?              ?        
1 1 1 -2  12 2  o 81.70707 4.150957  ?              ?        
1 1 1 -2  12 3  o 342.8656 7.060979  ?              ?        
1 1 1 -2  12 4  o 275.7798 5.991687  ?              ?        
1 1 1 -2  12 5  o 125.5070 2.995230  -0.9765625E-03 5.990460 
1 1 1 -2  12 6  f 132.6686 3.035432  1.301422       6.070863 
1 1 1 -2  12 7  o 108.6986 3.143042  -3.941086      6.286084 
1 1 1 -2  12 8  o 402.2596 5.806889  -5.590057      11.61378 
1 1 1 -2  12 9  o 258.2675 4.166989  8.744217       8.333978 
1 1 1 -2  12 10 o 223.4920 3.861534  5.161285       7.723069 
1 1 1 -2  12 11 o 185.9120 3.596273  13.39241       7.192545 
1 1 1 -2  12 12 o 67.17241 3.536965  3.033684       7.073930 
1 1 1 -2  12 13 o 78.74511 3.566010  ?              ?        
1 1 1 -2  12 14 o 108.6308 3.371858  1.124687       6.743716 
1 1 1 -2  12 15 o 93.60579 2.937630  12.40329       5.875260 
1 1 1 -2  12 16 o 70.45325 3.068357  2.878609       6.136714 
1 1 1 -2  12 17 o 118.8052 3.147184  ?              ?        
1 1 1 -2  12 18 o 59.28597 3.430534  -1.610394      6.861068 
1 1 1 -2  12 19 o 60.31998 3.855832  11.65968       7.711664 
1 1 1 -2  12 20 o 96.54391 3.049634  4.697777       6.099269 
1 1 1 -2  12 21 o 102.6670 3.044328  -4.029114      6.088656 
1 1 1 -2  12 22 o 75.24483 3.364693  -1.680412      6.729387 
1 1 1 -2  12 23 o 132.2530 3.193665  4.813416       6.387331 
1 1 1 -2  12 24 o 33.43166 5.693552  11.00560       11.38710 
1 1 1 -2  12 25 o 22.25921 5.992681  11.00149       11.98536 
1 1 1 -2  12 26 f 71.54281 3.625235  15.25866       7.250469 
1 1 1 -2  12 27 o 109.9971 2.883797  ?              ?        
1 1 1 -2  12 28 o 111.5129 3.183728  -8.254959      6.367456 
1 1 1 -2  12 29 f 18.38060 5.102778  8.623125       10.20556 
1 1 1 -2  12 30 o 28.06688 5.144815  -13.82345      10.28963 
1 1 1 -2  12 31 x ?        ?         ?              ?        
1 1 1 -2  12 32 o 22.49896 4.345780  -15.47711      8.691560 
1 1 1 -2  12 33 o 13.88325 5.858395  ?              ?        
1 1 1 -2  13 1  o 241.0835 5.514589  ?              ?        
1 1 1 -2  13 2  o 193.2372 4.876966  ?              ?        
1 1 1 -2  13 3  o 384.7281 7.855663  ?              ?        
1 1 1 -2  13 4  o 20.89325 7.988504  ?              ?        
1 1 1 -2  13 5  o 346.6943 5.137240  6.537018       10.27448 
1 1 1 -2  13 6  o 172.3469 3.409107  -4.494019      6.818214 
1 1 1 -2  13 7  o 173.9713 3.434468  -0.8356628     6.868936 
1 1 1 -2  13 8  o 199.9192 3.668612  -5.234177      7.337224 
1 1 1 -2  13 9  o 21.06663 6.042195  5.571898       12.08439 
1 1 1 -2  13 10 o 195.5616 3.711315  -4.935394      7.422629 
1 1 1 -2  13 11 o 71.29585 5.528134  ?              ?        
1 1 1 -2  13 12 o 138.8839 3.078041  15.59572       6.156081 
1 1 1 -2  13 13 o 111.1069 3.071661  -3.734116      6.143321 
1 1 1 -2  13 14 o 176.5838 3.174858  -6.536621      6.349717 
1 1 1 -2  13 15 o 39.48810 4.779324  ?              ?        
1 1 1 -2  13 16 f 58.25227 3.414943  3.032177       6.829886 
1 1 1 -2  13 17 o 103.1492 3.345108  1.989159       6.690216 
1 1 1 -2  13 18 o 135.0641 3.079860  4.710739       6.159720 
1 1 1 -2  13 19 o 35.42019 5.193365  10.55834       10.38673 
1 1 1 -2  13 20 o 92.11336 3.195475  -2.078041      6.390949 
1 1 1 -2  13 21 o 206.2686 3.494685  -12.52258      6.989370 
1 1 1 -2  13 22 o 156.8022 3.278963  -5.754501      6.557925 
1 1 1 -2  13 23 f 42.09969 5.334100  2.350849       10.66820 
1 1 1 -2  13 24 o 98.25977 3.402969  -9.475975      6.805939 
1 1 1 -2  13 25 o 48.70111 5.004950  -5.988384      10.00990 
1 1 1 -2  13 26 o 109.9766 3.099411  ?              ?        
1 1 1 -2  13 27 o 75.71978 3.677177  -3.550659      7.354354 
1 1 1 -2  13 28 o 30.34840 4.949200  -21.37415      9.898399 
1 1 1 -2  13 29 o 23.99698 4.915072  0.1571941      9.830145 
1 1 1 -2  13 30 o 16.73553 3.895171  -12.04057      7.790342 
1 1 1 -2  13 31 o 29.98272 4.203446  -10.02150      8.406892 
1 1 1 -2  13 32 o 11.58206 3.764281  -3.254781      7.528563 
1 1 1 -2  13 33 f 11.42041 3.774264  -1.110229      7.548527 
1 1 1 -2  14 1  o 185.7521 5.011707  ?              ?        
1 1 1 -2  14 2  o 116.5810 4.504186  ?              ?        
1 1 1 -2  14 3  o 263.9534 6.137186  ?              ?        
1 1 1 -2  14 4  o 345.7819 7.302821  ?              ?        
1 1 1 -2  14 5  o 226.6430 3.900258  -7.023880      7.800517 
1 1 1 -2  14 6  o 51.27718 4.375226  8.681988       8.750453 
1 1 1 -2  14 7  o 161.5685 4.829216  ?              ?        
1 1 1 -2  14 8  o 142.3014 4.743842  ?              ?        
1 1 1 -2  14 9  o 124.1280 3.344765  -2.723244      6.689529 
1 1 1 -2  14 10 o 177.1376 3.594463  7.792572       7.188926 
1 1 1 -2  14 11 f 108.7301 3.416352  7.883919       6.832704 
1 1 1 -2  14 12 o 123.3449 4.627856  ?              ?        
1 1 1 -2  14 13 o 28.81944 5.170187  -11.67297      10.34037 
1 1 1 -2  14 14 o 92.04544 3.422499  3.725914       6.844999 
1 1 1 -2  14 15 o 171.6103 3.160902  -4.648636      6.321805 
1 1 1 -2  14 16 o 165.1606 3.183254  9.104477       6.366508 
1 1 1 -2  14 17 o 142.2816 3.090019  -5.031815      6.180037 
1 1 1 -2  14 18 o 87.30933 3.184682  -8.283516      6.369364 
1 1 1 -2  14 19 o 56.97204 6.504352  ?              ?        
1 1 1 -2  14 20 o 26.73194 6.042021  9.124554       12.08404 
1 1 1 -2  14 21 o 120.2985 3.275318  12.00482       6.550636 
1 1 1 -2  14 22 o 106.0758 3.829198  9.903893       7.658397 
1 1 1 -2  14 23 o 26.81816 6.348135  11.54740       12.69627 
1 1 1 -2  14 24 o 62.61643 3.812468  ?              ?        
1 1 1 -2  14 25 o 18.54467 5.588821  4.247675       11.17764 
1 1 1 -2  14 26 o 51.26622 4.165586  3.683525       8.331173 
1 1 1 -2  14 27 o 14.78896 4.746730  -1.213278      9.493460 
1 1 1 -2  14 28 o 31.42038 4.780236  -15.77653      9.560472 
1 1 1 -2  14 29 o 43.47342 3.577277  -9.433796      7.154554 
1 1 1 -2  14 30 o 48.35499 3.167560  -25.87216      6.335120 
1 1 1 -2  14 31 o 22.79944 5.044799  -14.67234      10.08960 
1 1 1 -2  14 32 o 22.94210 6.714001  ?              ?        
1 1 1 -2  15 1  x ?        ?         ?              ?        
1 1 1 -2  15 2  x ?        ?         ?              ?        
1 1 1 -2  15 3  x ?        ?         ?              ?        
1 1 1 -2  15 4  x ?        ?         ?              ?        
1 1 1 -2  15 5  o 57.46970 4.148362  -0.5137863     8.296724 
1 1 1 -2  15 6  o 27.11960 6.022290  -7.717901      12.04458 
1 1 1 -2  15 7  o 76.01535 3.582686  -1.349419      7.165373 
1 1 1 -2  15 8  o 168.0229 4.932089  ?              ?        
1 1 1 -2  15 9  o 151.6792 4.847247  ?              ?        
1 1 1 -2  15 10 o 192.4086 3.741409  -5.622589      7.482819 
1 1 1 -2  15 11 o 105.2640 3.343627  -3.384888      6.687255 
1 1 1 -2  15 12 o 45.28915 4.704691  -0.6512451     9.409382 
1 1 1 -2  15 13 o 58.21252 3.951585  -0.1728363     7.903170 
1 1 1 -2  15 14 o 88.93138 3.077163  2.579430       6.154325 
1 1 1 -2  15 15 o 129.9578 5.060723  ?              ?        
1 1 1 -2  15 16 o 52.44353 3.837167  -3.173546      7.674334 
1 1 1 -2  15 17 o 80.87937 3.258178  7.903992       6.516355 
1 1 1 -2  15 18 o 76.99458 3.430501  -17.47918      6.861003 
1 1 1 -2  15 19 o 151.2550 3.268603  -4.029526      6.537207 
1 1 1 -2  15 20 o 100.6479 3.795840  2.904030       7.591681 
1 1 1 -2  15 21 o 91.96106 3.660575  -4.895149      7.321150 
1 1 1 -2  15 22 o 64.23820 4.364283  -7.254375      8.728566 
1 1 1 -2  15 23 o 88.05956 3.666471  ?              ?        
1 1 1 -2  15 24 o 100.8613 3.487715  -0.1788254     6.975430 
1 1 1 -2  15 25 o 57.06388 4.407821  -6.633942      8.815642 
1 1 1 -2  15 26 f 33.11705 5.348062  -3.549061      10.69612 
1 1 1 -2  15 27 o 30.85846 5.558509  21.60535       11.11702 
1 1 1 -2  15 28 o 23.21749 5.000515  -2.592579      10.00103 
1 1 1 -2  15 29 o 40.81018 3.886671  -7.154312      7.773341 
1 1 1 -2  15 30 o 13.25349 4.186908  3.524163       8.373816 
1 1 1 -2  15 31 o 17.41011 4.337917  12.52206       8.675835 
1 1 1 -2  16 1  o 175.8816 5.017641  ?              ?        
1 1 1 -2  16 2  o 25.52257 8.560234  ?              ?        
1 1 1 -2  16 3  o 146.4151 4.921616  ?              ?        
1 1 1 -2  16 4  x ?        ?         ?              ?        
1 1 1 -2  16 5  o 106.2105 3.419286  0.7272110      6.838573 
1 1 1 -2  16 6  o 218.8816 3.952847  -3.585510      7.905695 
1 1 1 -2  16 7  o 133.4554 3.338026  -1.332413      6.676051 
1 1 1 -2  16 8  o 152.8779 3.469194  -2.888855      6.938388 
1 1 1 -2  16 9  f 208.3749 3.876242  8.850449       7.752484 
1 1 1 -2  16 10 o 50.78112 4.346838  14.88990       8.693677 
1 1 1 -2  16 11 o 69.24093 3.694086  -20.99304      7.388172 
1 1 1 -2  16 12 o 135.9871 3.441503  7.013962       6.883007 
1 1 1 -2  16 13 o 27.30391 5.905150  10.32817       11.81030 
1 1 1 -2  16 14 o 124.2817 3.107583  -2.866859      6.215167 
1 1 1 -2  16 15 o 107.5653 3.193093  0.5043030      6.386187 
1 1 1 -2  16 16 o 206.7528 3.535579  -6.617569      7.071158 
1 1 1 -2  16 17 o 22.32623 5.676177  10.68978       11.35235 
1 1 1 -2  16 18 o 63.82694 4.622548  -18.22195      9.245095 
1 1 1 -2  16 19 f 86.95155 3.516644  -0.1181107     7.033289 
1 1 1 -2  16 20 o 77.79996 3.795947  -10.22308      7.591895 
1 1 1 -2  16 21 o 51.54401 4.917304  ?              ?        
1 1 1 -2  16 22 o 23.32947 6.009411  -3.671629      12.01882 
1 1 1 -2  16 23 o 29.60509 5.881284  -24.43379      11.76257 
1 1 1 -2  16 24 f 17.26633 5.152879  -1.133602      10.30576 
1 1 1 -2  16 25 f 17.99470 5.304815  5.736707       10.60963 
1 1 1 -2  16 26 o 80.16663 3.258242  -10.28079      6.516484 
1 1 1 -2  16 27 o 29.16740 4.800668  -5.732361      9.601336 
1 1 1 -2  16 28 o 23.65580 5.373194  0.5943584      10.74639 
1 1 1 -2  16 29 o 14.55145 4.319206  -0.9332075     8.638412 
1 1 1 -2  16 30 o 14.90210 4.124120  -5.886238      8.248240 
1 1 1 -2  16 31 o 36.50100 4.000029  -27.40949      8.000058 
1 1 1 -2  17 1  o 73.48543 5.095682  ?              ?        
1 1 1 -2  17 2  o 86.28488 4.755397  ?              ?        
1 1 1 -2  17 3  o 45.56564 6.367109  ?              ?        
1 1 1 -2  17 4  x ?        ?         ?              ?        
1 1 1 -2  17 5  o 99.66859 4.832694  ?              ?        
1 1 1 -2  17 6  o 73.93304 3.602317  4.907822       7.204635 
1 1 1 -2  17 7  f 196.3751 3.830069  4.196579       7.660137 
1 1 1 -2  17 8  o 83.14828 3.527826  -11.57944      7.055652 
1 1 1 -2  17 9  o 87.76018 3.583936  -6.838051      7.167872 
1 1 1 -2  17 10 o 63.72108 3.761151  2.329067       7.522302 
1 1 1 -2  17 11 o 97.27901 3.518708  1.240410       7.037416 
1 1 1 -2  17 12 o 87.70766 3.576257  10.38107       7.152514 
1 1 1 -2  17 13 o 183.4242 3.863050  6.231796       7.726100 
1 1 1 -2  17 14 o 30.29787 6.447936  -3.655508      12.89587 
1 1 1 -2  17 15 o 93.70862 4.054497  -4.169563      8.108994 
1 1 1 -2  17 16 o 69.77715 3.865715  2.298241       7.731430 
1 1 1 -2  17 17 o 97.74204 3.483402  -2.615463      6.966803 
1 1 1 -2  17 18 o 73.35540 4.364334  ?              ?        
1 1 1 -2  17 19 o 138.1896 3.458248  -5.966690      6.916495 
1 1 1 -2  17 20 o 38.44809 6.023397  -2.217915      12.04679 
1 1 1 -2  17 21 o 21.55197 6.174979  -2.962440      12.34996 
1 1 1 -2  17 22 o 124.4830 3.450149  5.869957       6.900298 
1 1 1 -2  17 23 o 19.85447 5.199423  -8.525593      10.39885 
1 1 1 -2  17 24 o 28.51630 5.416823  18.62351       10.83365 
1 1 1 -2  17 25 o 48.16995 3.810817  -14.37632      7.621633 
1 1 1 -2  17 26 o 33.82200 4.673378  -1.584450      9.346755 
1 1 1 -2  17 27 o 49.28960 3.900784  -0.6763725     7.801569 
1 1 1 -2  17 28 o 19.86606 4.548265  8.979169       9.096529 
1 1 1 -2  17 29 x ?        ?         ?              ?        
1 1 1 -2  17 30 o 22.61393 3.749091  -18.27235      7.498182 
1 1 1 -2  18 1  o 152.7956 4.959082  ?              ?        
1 1 1 -2  18 2  o 42.66590 6.543593  ?              ?        
1 1 1 -2  18 3  o 92.92538 4.916742  ?              ?        
1 1 1 -2  18 4  x ?        ?         ?              ?        
1 1 1 -2  18 5  o 139.3787 4.979817  ?              ?        
1 1 1 -2  18 6  o 83.84659 4.944089  ?              ?        
1 1 1 -2  18 7  o 99.72557 3.536342  9.902298       7.072683 
1 1 1 -2  18 8  o 129.9650 3.510594  9.481834       7.021188 
1 1 1 -2  18 9  o 118.4311 3.526942  2.923523       7.053885 
1 1 1 -2  18 10 o 25.19378 5.812824  8.654055       11.62565 
1 1 1 -2  18 11 o 39.79601 5.243016  -19.65372      10.48603 
1 1 1 -2  18 12 o 21.63783 8.441369  ?              ?        
1 1 1 -2  18 13 o 120.7511 3.704281  -17.16245      7.408561 
1 1 1 -2  18 14 o 33.64206 5.214531  33.18449       10.42906 
1 1 1 -2  18 15 o 74.03567 4.382217  ?              ?        
1 1 1 -2  18 16 o 35.99862 7.423999  ?              ?        
1 1 1 -2  18 17 f 80.94939 3.680352  4.467964       7.360705 
1 1 1 -2  18 18 o 109.1640 3.996768  18.79521       7.993536 
1 1 1 -2  18 19 o 47.70743 5.729113  -4.101997      11.45823 
1 1 1 -2  18 20 o 68.40625 4.105577  2.234993       8.211154 
1 1 1 -2  18 21 o 78.52094 3.818888  -0.8703461     7.637776 
1 1 1 -2  18 22 o 38.97390 5.294316  -4.368126      10.58863 
1 1 1 -2  18 23 f 74.04102 3.539319  -12.45583      7.078639 
1 1 1 -2  18 24 o 13.36744 4.318098  3.422620       8.636195 
1 1 1 -2  18 25 o 25.49555 5.641092  1.031021       11.28218 
1 1 1 -2  18 26 o 23.27417 4.031320  -15.65057      8.062640 
1 1 1 -2  18 27 o 29.45047 4.645407  ?              ?        
1 1 1 -2  18 28 o 37.75677 3.918955  -19.39190      7.837909 
1 1 1 -2  18 29 o 17.78715 6.097246  ?              ?        
1 1 1 -2  19 1  o 146.3899 5.038793  ?              ?        
1 1 1 -2  19 2  o 61.22749 3.809712  ?              ?        
1 1 1 -2  19 3  o 100.3969 4.875941  ?              ?        
1 1 1 -2  19 4  x ?        ?         ?              ?        
1 1 1 -2  19 5  o 28.70134 8.657814  ?              ?        
1 1 1 -2  19 6  o 77.42358 5.494217  ?              ?        
1 1 1 -2  19 7  x ?        ?         ?              ?        
1 1 1 -2  19 8  o 176.3151 5.393538  ?              ?        
1 1 1 -2  19 9  o 28.00423 6.138397  -4.319189      12.27679 
1 1 1 -2  19 10 o 42.63108 5.295878  4.523849       10.59176 
1 1 1 -2  19 11 f 74.26790 4.044576  -15.67982      8.089151 
1 1 1 -2  19 12 o 176.5937 5.646753  ?              ?        
1 1 1 -2  19 13 o 89.88090 5.601629  ?              ?        
1 1 1 -2  19 14 o 48.20870 5.739555  13.54314       11.47911 
1 1 1 -2  19 15 o 31.22169 6.288607  22.56000       12.57721 
1 1 1 -2  19 16 o 115.9097 3.975378  -14.02590      7.950756 
1 1 1 -2  19 17 o 26.35589 6.500798  -3.753942      13.00160 
1 1 1 -2  19 18 o 19.81994 6.016019  4.988186       12.03204 
1 1 1 -2  19 19 o 51.35939 4.763354  6.003761       9.526709 
1 1 1 -2  19 20 o 54.03465 4.530034  -1.029625      9.060068 
1 1 1 -2  19 21 o 81.73004 3.557639  3.430824       7.115278 
1 1 1 -2  19 22 o 42.15797 4.830158  -7.908459      9.660316 
1 1 1 -2  19 23 o 14.73521 4.710116  -6.897310      9.420233 
1 1 1 -2  19 24 o 65.15749 3.352539  -1.118629      6.705078 
1 1 1 -2  19 25 o 13.25824 5.573382  ?              ?        
1 1 1 -2  19 26 o 14.33595 4.201901  -5.731858      8.403803 
1 1 1 -2  19 27 o 18.55908 4.071201  -10.24712      8.142403 
1 1 1 -2  19 28 o 14.55729 4.214991  -0.4032145     8.429981 
1 1 1 -2  20 1  x ?        ?         ?              ?        
1 1 1 -2  20 2  o 29.40276 8.638852  ?              ?        
1 1 1 -2  20 3  o 38.77835 4.795971  ?              ?        
1 1 1 -2  20 4  x ?        ?         ?              ?        
1 1 1 -2  20 5  o 110.3583 5.278188  ?              ?        
1 1 1 -2  20 6  o 62.25795 6.054932  ?              ?        
1 1 1 -2  20 7  o 179.6974 5.611021  ?              ?        
1 1 1 -2  20 8  f 132.8650 5.418115  ?              ?        
1 1 1 -2  20 9  o 110.1787 5.505695  ?              ?        
1 1 1 -2  20 10 f 94.67667 4.028430  -6.955589      8.056860 
1 1 1 -2  20 11 o 49.70639 5.227393  -1.169960      10.45479 
1 1 1 -2  20 12 o 84.14171 4.168932  5.015366       8.337864 
1 1 1 -2  20 13 o 106.2258 4.053250  5.997604       8.106500 
1 1 1 -2  20 14 o 112.4007 4.051920  -16.37773      8.103840 
1 1 1 -2  20 15 o 106.1816 4.100045  14.33058       8.200089 
1 1 1 -2  20 16 o 35.21167 6.357150  10.26196       12.71430 
1 1 1 -2  20 17 o 92.60518 3.763733  -7.993004      7.527466 
1 1 1 -2  20 18 o 101.4656 3.627955  4.256088       7.255910 
1 1 1 -2  20 19 o 26.64437 6.045103  0.9397697E-01  12.09021 
1 1 1 -2  20 20 o 70.94415 4.508657  8.788780       9.017315 
1 1 1 -2  20 21 o 45.90623 4.865112  -21.16956      9.730225 
1 1 1 -2  20 22 o 31.32487 4.953944  -8.633984      9.907888 
1 1 1 -2  20 23 o 37.01457 4.388762  ?              ?        
1 1 1 -2  20 24 o 12.17884 3.867969  1.832205       7.735938 
1 1 1 -2  20 25 o 46.62151 3.111405  2.482197       6.222810 
1 1 1 -2  20 26 o 27.26157 4.775197  -5.570990      9.550394 
1 1 1 -2  20 27 o 9.610170 3.273803  0.8797073E-01  6.547605 
1 1 1 -2  21 1  x ?        ?         ?              ?        
1 1 1 -2  21 2  x ?        ?         ?              ?        
1 1 1 -2  21 3  x ?        ?         ?              ?        
1 1 1 -2  21 4  x ?        ?         ?              ?        
1 1 1 -2  21 5  x ?        ?         ?              ?        
1 1 1 -2  21 6  x ?        ?         ?              ?        
1 1 1 -2  21 7  o 32.17722 9.562026  ?              ?        
1 1 1 -2  21 8  o 39.97218 8.791140  ?              ?        
1 1 1 -2  21 9  o 26.18306 9.877404  ?              ?        
1 1 1 -2  21 10 o 75.66513 4.506511  8.244484       9.013022 
1 1 1 -2  21 11 o 112.1496 4.035870  0.8251114      8.071739 
1 1 1 -2  21 12 o 62.38263 4.968347  4.327564       9.936693 
1 1 1 -2  21 13 o 39.38734 6.664546  0.5374565      13.32909 
1 1 1 -2  21 14 o 39.69995 6.509035  -19.54160      13.01807 
1 1 1 -2  21 15 o 51.43130 5.342817  -4.664593      10.68563 
1 1 1 -2  21 16 o 55.45990 5.322188  2.496662       10.64438 
1 1 1 -2  21 17 o 29.84109 6.182010  -6.101753      12.36402 
1 1 1 -2  21 18 o 57.79749 4.966444  2.159595       9.932888 
1 1 1 -2  21 19 o 71.09708 3.771223  -15.73458      7.542446 
1 1 1 -2  21 20 o 23.48562 4.958931  -14.38940      9.917863 
1 1 1 -2  21 21 o 47.13660 4.154264  ?              ?        
1 1 1 -2  21 22 o 33.15988 4.658397  5.544233       9.316794 
1 1 1 -2  21 23 o 30.63753 4.305887  -14.29115      8.611773 
1 1 1 -2  21 24 o 13.74244 4.166284  4.640236       8.332568 
1 1 1 -2  21 25 o 21.56279 4.565215  -2.025780      9.130429 
1 1 1 -2  21 26 o 16.60186 4.302435  -4.445183      8.604871 
1 1 1 -2  22 1  x ?        ?         ?              ?        
1 1 1 -2  22 2  x ?        ?         ?              ?        
1 1 1 -2  22 3  x ?        ?         ?              ?        
1 1 1 -2  22 4  x ?        ?         ?              ?        
1 1 1 -2  22 5  x ?        ?         ?              ?        
1 1 1 -2  22 6  x ?        ?         ?              ?        
1 1 1 -2  22 7  o 29.54708 9.864134  ?              ?        
1 1 1 -2  22 8  o 25.91228 9.772602  ?              ?        
1 1 1 -2  22 9  o 54.91198 7.526186  ?              ?        
1 1 1 -2  22 10 o 28.54010 9.713189  ?              ?        
1 1 1 -2  22 11 o 49.06377 5.750231  3.502483       11.50046 
1 1 1 -2  22 12 o 34.06328 7.114488  -7.583542      14.22898 
1 1 1 -2  22 13 o 94.05307 4.193398  -9.215965      8.386795 
1 1 1 -2  22 14 o 17.84973 7.854620  ?              ?        
1 1 1 -2  22 15 f 64.84099 6.734608  ?              ?        
1 1 1 -2  22 16 o 20.92763 6.079030  1.568180       12.15806 
1 1 1 -2  22 17 o 57.31956 4.104101  8.809578       8.208202 
1 1 1 -2  22 18 o 48.97491 4.478374  ?              ?        
1 1 1 -2  22 19 o 33.66056 5.149047  0.1973877      10.29809 
1 1 1 -2  22 20 o 25.50123 5.075402  -6.790173      10.15080 
1 1 1 -2  22 21 o 25.20353 5.012816  13.19622       10.02563 
1 1 1 -2  22 22 o 16.69053 4.426090  -3.511730      8.852180 
1 1 1 -2  22 23 o 23.97294 4.523257  14.03561       9.046514 
1 1 1 -2  22 24 o 17.06979 4.338447  -4.720132      8.676893 
1 1 1 -2  22 25 o 13.67623 4.008546  -4.665078      8.017093 
1 1 1 -2  23 1  x ?        ?         ?              ?        
1 1 1 -2  23 2  x ?        ?         ?              ?        
1 1 1 -2  23 3  x ?        ?         ?              ?        
1 1 1 -2  23 4  x ?        ?         ?              ?        
1 1 1 -2  23 5  o 38.87080 8.777698  ?              ?        
1 1 1 -2  23 6  x ?        ?         ?              ?        
1 1 1 -2  23 7  o 94.04521 5.988873  ?              ?        
1 1 1 -2  23 8  o 52.03448 7.820753  ?              ?        
1 1 1 -2  23 9  o 65.01389 7.181337  ?              ?        
1 1 1 -2  23 10 x ?        ?         ?              ?        
1 1 1 -2  23 11 x ?        ?         ?              ?        
1 1 1 -2  23 12 o 118.2931 5.987880  ?              ?        
1 1 1 -2  23 13 f 19.76291 5.910459  -2.237675      11.82092 
1 1 1 -2  23 14 o 20.30695 8.447989  ?              ?        
1 1 1 -2  23 15 o 67.05894 6.465574  ?              ?        
1 1 1 -2  23 16 o 52.53288 4.780067  2.201134       9.560134 
1 1 1 -2  23 17 o 43.41894 4.652309  14.89280       9.304619 
1 1 1 -2  23 18 o 18.36837 5.314960  2.465284       10.62992 
1 1 1 -2  23 19 o 14.70987 4.521056  6.598860       9.042111 
1 1 1 -2  23 20 o 33.49872 4.261484  -17.08864      8.522967 
1 1 1 -2  23 21 o 12.43743 3.892726  7.512431       7.785453 
1 1 1 -2  23 22 o 21.76422 4.708871  -2.051777      9.417743 
1 1 1 -2  23 23 o 14.57132 4.219620  -4.208005      8.439240 
1 1 1 -2  24 1  x ?        ?         ?              ?        
1 1 1 -2  24 2  x ?        ?         ?              ?        
1 1 1 -2  24 3  x ?        ?         ?              ?        
1 1 1 -2  24 4  x ?        ?         ?              ?        
1 1 1 -2  24 5  x ?        ?         ?              ?        
1 1 1 -2  24 6  x ?        ?         ?              ?        
1 1 1 -2  24 7  o 70.27547 6.722694  ?              ?        
1 1 1 -2  24 8  o 28.31609 9.956068  ?              ?        
1 1 1 -2  24 9  o 14.48534 6.846097  ?              ?        
1 1 1 -2  24 10 o 39.58349 9.423193  ?              ?        
1 1 1 -2  24 11 o 17.07210 7.865485  ?              ?        
1 1 1 -2  24 12 o 102.7859 6.002183  ?              ?        
1 1 1 -2  24 13 o 27.78839 9.502038  ?              ?        
1 1 1 -2  24 14 o 45.11758 5.689978  19.83723       11.37996 
1 1 1 -2  24 15 o 24.88670 5.692960  13.91910       11.38592 
1 1 1 -2  24 16 o 29.98164 5.743988  -9.418646      11.48798 
1 1 1 -2  24 17 o 17.71704 5.131406  7.757334       10.26281 
1 1 1 -2  24 18 o 32.27094 4.824903  10.48906       9.649807 
1 1 1 -2  24 19 o 13.44489 4.112893  -4.088056      8.225786 
1 1 1 -2  24 20 o 21.48582 4.713651  -4.677561      9.427301 
1 1 1 -2  24 21 o 18.69080 4.929490  8.728462       9.858980 
1 1 1 -2  24 22 o 28.25997 5.417293  10.38232       10.83459 
1 1 1 -2  25 1  x ?        ?         ?              ?        
1 1 1 -2  25 2  x ?        ?         ?              ?        
1 1 1 -2  25 3  x ?        ?         ?              ?        
1 1 1 -2  25 4  x ?        ?         ?              ?        
1 1 1 -2  25 5  o 67.49315 6.279862  ?              ?        
1 1 1 -2  25 6  o 71.84134 6.049253  ?              ?        
1 1 1 -2  25 7  o 32.57493 8.327643  ?              ?        
1 1 1 -2  25 8  o 52.08093 6.630182  ?              ?        
1 1 1 -2  25 9  o 47.89297 7.567474  ?              ?        
1 1 1 -2  25 10 o 28.73286 9.271763  ?              ?        
1 1 1 -2  25 11 o 28.13126 8.964253  ?              ?        
1 1 1 -2  25 12 o 35.61065 8.375406  ?              ?        
1 1 1 -2  25 13 o 34.42823 7.441842  ?              ?        
1 1 1 -2  25 14 o 44.32228 6.274388  ?              ?        
1 1 1 -2  25 15 o 17.92561 4.915218  12.67709       9.830437 
1 1 1 -2  25 16 o 48.06583 3.900149  16.02301       7.800299 
1 1 1 -2  25 17 o 32.02374 5.167865  -2.932516      10.33573 
1 1 1 -2  25 18 f 22.37087 5.563697  -7.965902      11.12739 
1 1 1 -2  25 19 o 23.57341 5.522471  7.675686       11.04494 
1 1 1 -2  25 20 o 22.67625 5.467578  -10.05325      10.93516 
1 1 1 -2  26 1  x ?        ?         ?              ?        
1 1 1 -2  26 2  x ?        ?         ?              ?        
1 1 1 -2  26 3  x ?        ?         ?              ?        
1 1 1 -2  26 4  x ?        ?         ?              ?        
1 1 1 -2  26 5  o 72.40208 5.945961  ?              ?        
1 1 1 -2  26 6  o 43.95180 7.940410  ?              ?        
1 1 1 -2  26 7  o 22.97129 8.789482  ?              ?        
1 1 1 -2  26 8  o 74.78648 4.249265  ?              ?        
1 1 1 -2  26 9  o 32.63206 7.766569  ?              ?        
1 1 1 -2  26 10 o 12.73418 5.983574  ?              ?        
1 1 1 -2  26 11 o 31.96544 7.157319  ?              ?        
1 1 1 -2  26 12 o 14.05313 6.337192  ?              ?        
1 1 1 -2  26 13 o 26.65715 7.062588  ?              ?        
1 1 1 -2  26 14 x ?        ?         ?              ?        
1 1 1 -2  26 15 x ?        ?         ?              ?        
1 1 1 -2  26 16 x ?        ?         ?              ?        
1 1 1 -2  26 17 o 15.78545 6.655980  ?              ?        
1 1 1 -2  26 18 o 16.65776 7.225001  ?              ?        
1 1 1 -2  27 1  x ?        ?         ?              ?        
1 1 1 -2  27 2  x ?        ?         ?              ?        
1 1 1 -2  27 3  x ?        ?         ?              ?        
1 1 1 -2  27 4  x ?        ?         ?              ?        
1 1 1 -2  27 5  o 44.36326 6.227787  ?              ?        
1 1 1 -2  27 6  o 38.16677 7.403553  ?              ?        
1 1 1 -2  27 7  o 16.97237 7.256924  ?              ?        
1 1 1 -2  27 8  o 34.06879 4.847628  ?              ?        
1 1 1 -2  27 9  o 29.80981 4.855830  ?              ?        
1 1 1 -2  27 10 x ?        ?         ?              ?        
1 1 1 -2  27 11 x ?        ?         ?              ?        
1 1 1 -2  27 12 x ?        ?         ?              ?        
1 1 1 -2  27 13 x ?        ?         ?              ?        
1 1 1 -2  27 14 x ?        ?         ?              ?        
1 1 1 -2  27 15 x ?        ?         ?              ?        
1 1 1 -2  27 16 x ?        ?         ?              ?        
1 1 1 -2  28 1  x ?        ?         ?              ?        
1 1 1 -2  28 2  x ?        ?         ?              ?        
1 1 1 -2  28 3  x ?        ?         ?              ?        
1 1 1 -2  28 4  x ?        ?         ?              ?        
1 1 1 -2  28 5  x ?        ?         ?              ?        
1 1 1 -2  28 6  x ?        ?         ?              ?        
1 1 1 -2  28 7  x ?        ?         ?              ?        
1 1 1 -2  28 8  x ?        ?         ?              ?        
1 1 1 -2  28 9  x ?        ?         ?              ?        
1 1 1 -2  28 10 x ?        ?         ?              ?        
1 1 1 -2  28 11 x ?        ?         ?              ?        
1 1 1 -2  28 12 x ?        ?         ?              ?        
1 1 1 -2  28 13 x ?        ?         ?              ?        
1 1 1 -2  29 1  x ?        ?         ?              ?        
1 1 1 -2  29 2  x ?        ?         ?              ?        
1 1 1 -2  29 3  x ?        ?         ?              ?        
1 1 1 -2  29 4  x ?        ?         ?              ?        
1 1 1 -2  29 5  x ?        ?         ?              ?        
1 1 1 -2  29 6  x ?        ?         ?              ?        
1 1 1 -2  29 7  x ?        ?         ?              ?        
1 1 1 -2  29 8  x ?        ?         ?              ?        
1 1 1 -2  29 9  x ?        ?         ?              ?        
1 1 1 -2  29 10 x ?        ?         ?              ?        
1 1 1 -2  30 1  x ?        ?         ?              ?        
1 1 1 -2  30 2  x ?        ?         ?              ?        
1 1 1 -2  30 3  x ?        ?         ?              ?        
1 1 1 -2  30 4  x ?        ?         ?              ?        
1 1 1 -1  0  2  f 301.7177 4.016134  -0.000000      0.000000 
1 1 1 -1  0  3  o 261.6944 3.495015  -0.000000      0.000000 
1 1 1 -1  0  4  o 275.7859 3.686483  -0.000000      0.000000 
1 1 1 -1  0  5  o 247.7089 3.332462  -0.000000      0.000000 
1 1 1 -1  0  6  o 350.6847 4.677319  -0.000000      0.000000 
1 1 1 -1  0  7  o 385.6226 5.141095  -0.000000      0.000000 
1 1 1 -1  0  8  o 154.8864 3.212912  -0.000000      0.000000 
1 1 1 -1  0  9  o 35.99403 1.320313  -0.000000      0.000000 
1 1 1 -1  0  10 o 142.2975 2.865394  -0.000000      0.000000 
1 1 1 -1  0  11 o 90.63237 2.126433  -0.000000      0.000000 
1 1 1 -1  0  12 o 411.6735 5.520849  -0.000000      0.000000 
1 1 1 -1  0  13 o 225.6126 3.154237  -0.000000      0.000000 
1 1 1 -1  0  14 o 101.0659 1.762118  -0.000000      0.000000 
1 1 1 -1  0  15 o 163.3464 2.446219  -0.000000      0.000000 
1 1 1 -1  0  16 o 130.7594 2.137670  -0.000000      0.000000 
1 1 1 -1  0  17 o 117.8558 3.313018  -0.000000      0.000000 
1 1 1 -1  0  18 o 61.07509 2.090990  -0.000000      0.000000 
1 1 1 -1  0  19 o 9.575048 5.491567  -0.000000      0.000000 
1 1 1 -1  0  20 o 80.76172 2.041072  -0.000000      0.000000 
1 1 1 -1  0  21 o 47.78603 2.240810  -0.000000      0.000000 
1 1 1 -1  0  22 o 8.949676 5.262901  -0.000000      0.000000 
1 1 1 -1  0  23 o 5.400506 3.835880  -0.000000      0.000000 
1 1 1 -1  0  24 o 67.65220 2.216318  -0.000000      0.000000 
1 1 1 -1  0  25 o 17.56694 6.192647  -0.000000      0.000000 
1 1 1 -1  0  26 o 42.10945 5.364053  -0.000000      0.000000 
1 1 1 -1  0  27 o 34.51174 4.076723  -0.000000      0.000000 
1 1 1 -1  0  28 o 10.49863 6.725087  -0.000000      0.000000 
1 1 1 -1  0  29 o 7.125256 5.031811  -0.000000      0.000000 
1 1 1 -1  0  30 f 33.74553 4.455607  -0.000000      0.000000 
1 1 1 -1  0  31 o 39.84886 4.049775  -0.000000      0.000000 
1 1 1 -1  0  32 o 36.98833 4.187436  -0.000000      0.000000 
1 1 1 -1  0  33 x ?        ?         ?              ?        
1 1 1 -1  0  34 o 44.67892 3.516307  -0.000000      0.000000 
1 1 1 -1  0  35 x ?        ?         ?              ?        
1 1 1 -1  0  36 o 30.81770 8.950912  -0.000000      0.000000 
1 1 1 -1  1  1  o 258.1506 3.548903  31.86977       7.097805 
1 1 1 -1  1  2  o 55.03404 0.8127707 3.358303       1.625541 
1 1 1 -1  1  3  o 194.1900 1.905692  2.721497       3.811384 
1 1 1 -1  1  4  o 181.0184 1.799599  -4.536713      3.599198 
1 1 1 -1  1  5  o 203.2362 2.000215  7.637863       4.000429 
1 1 1 -1  1  6  o 93.18431 1.113701  -7.145500      2.227403 
1 1 1 -1  1  7  o 260.6325 3.056377  0.2882080      6.112755 
1 1 1 -1  1  8  o 206.2957 2.514356  -4.594894      5.028712 
1 1 1 -1  1  9  o 289.2902 2.784742  -2.560760      5.569483 
1 1 1 -1  1  10 o 283.5173 3.865973  3.578705       7.731946 
1 1 1 -1  1  11 o 244.3783 3.452740  14.57727       6.905480 
1 1 1 -1  1  12 f 205.9529 2.067472  -9.769882      4.134943 
1 1 1 -1  1  13 o 54.86340 1.710481  ?              ?        
1 1 1 -1  1  14 o 218.0700 2.181130  3.423798       4.362261 
1 1 1 -1  1  15 o 215.7810 2.176895  5.287033       4.353790 
1 1 1 -1  1  16 o 148.3528 1.658172  6.933853       3.316344 
1 1 1 -1  1  17 o 315.5151 4.428941  -7.003662      8.857882 
1 1 1 -1  1  18 o 207.1359 2.167855  1.254120       4.335711 
1 1 1 -1  1  19 o 292.8940 3.548579  1.902679       7.097158 
1 1 1 -1  1  20 o 145.7346 1.739157  2.388107       3.478314 
1 1 1 -1  1  21 o 96.64010 1.507046  -5.566681      3.014091 
1 1 1 -1  1  22 o 21.63461 2.892390  10.29964       5.784780 
1 1 1 -1  1  23 o 59.02422 1.575267  0.4167175E-01  3.150533 
1 1 1 -1  1  24 f 101.8628 1.615908  1.908829       3.231817 
1 1 1 -1  1  25 o 64.96649 1.741209  -3.306309      3.482419 
1 1 1 -1  1  26 o 121.4593 2.917592  -6.096504      5.835184 
1 1 1 -1  1  27 o 139.8895 1.985575  1.332855       3.971150 
1 1 1 -1  1  28 o 194.5514 3.236270  3.642105       6.472540 
1 1 1 -1  1  29 o 134.1564 2.076597  5.546768       4.153194 
1 1 1 -1  1  30 o 60.87666 2.249780  1.075371       4.499559 
1 1 1 -1  1  31 o 118.0106 2.136646  2.138649       4.273292 
1 1 1 -1  1  32 o 66.98778 2.238585  0.7726517      4.477171 
1 1 1 -1  1  33 o 35.77750 3.172620  -7.205425      6.345241 
1 1 1 -1  1  34 o 16.54971 4.129525  6.154609       8.259050 
1 1 1 -1  1  35 o 21.27246 3.802190  -8.692495      7.604380 
1 1 1 -1  1  36 o 32.58961 4.132177  9.125284       8.264355 
1 1 1 -1  2  1  x ?        ?         ?              ?        
1 1 1 -1  2  2  o 94.55704 2.239837  ?              ?        
1 1 1 -1  2  3  o 81.40627 1.095129  -2.073471      2.190259 
1 1 1 -1  2  4  o 340.2778 3.261236  5.764862       6.522472 
1 1 1 -1  2  5  o 159.9850 1.690666  -0.1692657     3.381333 
1 1 1 -1  2  6  o 181.7013 1.891223  -20.36942      3.782445 
1 1 1 -1  2  7  o 164.4183 2.451180  -8.787338      4.902359 
1 1 1 -1  2  8  o 345.6736 3.333704  -12.84851      6.667407 
1 1 1 -1  2  9  o 50.73073 1.396240  -4.983860      2.792479 
1 1 1 -1  2  10 o 83.89615 1.562771  -2.413307      3.125541 
1 1 1 -1  2  11 o 363.2932 4.997535  -5.219574      9.995070 
1 1 1 -1  2  12 o 331.6111 3.206912  -3.150696      6.413825 
1 1 1 -1  2  13 o 315.8976 3.069854  10.31616       6.139709 
1 1 1 -1  2  14 o 297.6451 2.909580  9.261383       5.819159 
1 1 1 -1  2  15 o 178.7624 1.905343  4.138657       3.810686 
1 1 1 -1  2  16 f 307.6556 3.021577  11.08502       6.043154 
1 1 1 -1  2  17 o 81.83513 2.252998  0.5109482      4.505995 
1 1 1 -1  2  18 o 45.70985 1.854462  5.884113       3.708925 
1 1 1 -1  2  19 f 67.90436 2.059725  -5.989555      4.119451 
1 1 1 -1  2  20 o 94.49088 1.524709  2.777557       3.049417 
1 1 1 -1  2  21 o 118.6344 1.633749  -6.700150      3.267498 
1 1 1 -1  2  22 o 100.0803 1.594767  6.714836       3.189534 
1 1 1 -1  2  23 o 91.99802 1.613067  -0.4127197     3.226133 
1 1 1 -1  2  24 o 81.08808 1.625370  -3.612122      3.250741 
1 1 1 -1  2  25 o 72.03874 1.743470  2.364403       3.486940 
1 1 1 -1  2  26 o 26.40224 5.172161  -7.440857      10.34432 
1 1 1 -1  2  27 o 18.35760 6.455483  ?              ?        
1 1 1 -1  2  28 o 46.70987 3.533026  ?              ?        
1 1 1 -1  2  29 o 14.51268 4.183392  1.575170       8.366783 
1 1 1 -1  2  30 o 14.74314 4.100324  -3.624499      8.200647 
1 1 1 -1  2  31 o 70.68166 2.220335  -9.700790      4.440671 
1 1 1 -1  2  32 o 37.00288 2.950875  -2.886532      5.901750 
1 1 1 -1  2  33 o 36.30859 3.073706  -0.7623482     6.147412 
1 1 1 -1  2  34 o 71.15445 2.635760  -0.4661484     5.271520 
1 1 1 -1  2  35 o 35.25841 3.824115  ?              ?        
1 1 1 -1  2  36 o 34.00629 4.323020  -9.630518      8.646039 
1 1 1 -1  3  1  o 167.3970 3.476038  ?              ?        
1 1 1 -1  3  2  o 262.8966 5.120968  ?              ?        
1 1 1 -1  3  3  o 101.2114 1.768399  -8.603897      3.536798 
1 1 1 -1  3  4  o 282.2173 3.353585  -5.980164      6.707170 
1 1 1 -1  3  5  o 464.7599 5.459264  -5.696136      10.91853 
1 1 1 -1  3  6  o 381.9078 5.198822  -15.26031      10.39764 
1 1 1 -1  3  7  o 136.7412 1.601655  -7.853561      3.203310 
1 1 1 -1  3  8  o 260.1494 3.275272  12.15692       6.550545 
1 1 1 -1  3  9  o 96.72995 1.729018  -2.172318      3.458036 
1 1 1 -1  3  10 o 300.8364 2.971168  1.160828       5.942336 
1 1 1 -1  3  11 o 97.01982 1.801400  -5.376991      3.602800 
1 1 1 -1  3  12 o 548.4302 5.215432  7.041931       10.43086 
1 1 1 -1  3  13 o 225.9057 2.328842  4.053665       4.657684 
1 1 1 -1  3  14 f 494.7212 4.719945  4.651550       9.439890 
1 1 1 -1  3  15 o 105.7644 1.508919  1.823669       3.017839 
1 1 1 -1  3  16 o 237.6897 2.916881  2.207352       5.833762 
1 1 1 -1  3  17 o 294.5037 3.640813  -6.128021      7.281625 
1 1 1 -1  3  18 o 102.9259 1.642118  -1.248230      3.284236 
1 1 1 -1  3  19 o 80.20049 1.926974  7.145866       3.853948 
1 1 1 -1  3  20 o 71.40513 1.635274  -5.213577      3.270548 
1 1 1 -1  3  21 o 109.0046 1.652633  4.679535       3.305267 
1 1 1 -1  3  22 o 13.73565 3.600743  1.910514       7.201486 
1 1 1 -1  3  23 o 54.76838 1.868837  -7.831039      3.737674 
1 1 1 -1  3  24 o 65.13152 1.757652  7.450989       3.515305 
1 1 1 -1  3  25 o 17.59948 4.445479  -3.416952      8.890959 
1 1 1 -1  3  26 o 68.46538 2.869113  -9.345325      5.738227 
1 1 1 -1  3  27 f 110.6263 1.959534  -0.6396561     3.919068 
1 1 1 -1  3  28 o 69.57518 3.152340  0.1726761      6.304680 
1 1 1 -1  3  29 o 90.62251 2.082949  2.884438       4.165898 
1 1 1 -1  3  30 o 47.11893 2.669952  2.036488       5.339904 
1 1 1 -1  3  31 o 76.53510 2.230289  -8.067337      4.460578 
1 1 1 -1  3  32 o 37.21445 2.893231  3.637825       5.786463 
1 1 1 -1  3  33 o 33.21001 3.530881  -15.49389      7.061761 
1 1 1 -1  3  34 f 11.88168 3.760012  1.741061       7.520023 
1 1 1 -1  3  35 o 26.35467 3.582331  -9.004385      7.164662 
1 1 1 -1  3  36 o 30.26775 4.434960  -14.00779      8.869920 
1 1 1 -1  4  1  o 53.87952 2.029586  ?              ?        
1 1 1 -1  4  2  o 111.1003 2.674875  ?              ?        
1 1 1 -1  4  3  o 351.7579 6.783464  ?              ?        
1 1 1 -1  4  4  o 284.2227 5.591216  ?              ?        
1 1 1 -1  4  5  o 215.0556 2.720780  0.2852173      5.441560 
1 1 1 -1  4  6  o 84.50354 1.641092  -2.868309      3.282185 
1 1 1 -1  4  7  o 280.5106 3.462859  -3.029205      6.925718 
1 1 1 -1  4  8  o 81.47650 1.755559  0.8411560      3.511118 
1 1 1 -1  4  9  o 156.8928 1.842106  -7.942993      3.684211 
1 1 1 -1  4  10 f 103.6921 1.533406  0.3500977      3.066813 
1 1 1 -1  4  11 o 291.6687 2.933090  2.894470       5.866180 
1 1 1 -1  4  12 o 299.7291 3.011078  7.134827       6.022157 
1 1 1 -1  4  13 o 75.60526 1.513794  2.666794       3.027588 
1 1 1 -1  4  14 o 225.2798 2.381734  -3.209183      4.763468 
1 1 1 -1  4  15 o 266.5892 3.211797  12.05826       6.423593 
1 1 1 -1  4  16 o 317.7089 3.960099  3.721771       7.920198 
1 1 1 -1  4  17 o 211.0187 2.307803  2.357086       4.615605 
1 1 1 -1  4  18 o 153.3046 2.397352  0.7715759      4.794704 
1 1 1 -1  4  19 o 76.34096 2.111885  0.9694672      4.223770 
1 1 1 -1  4  20 o 22.03386 3.379755  -3.196957      6.759511 
1 1 1 -1  4  21 o 64.00361 1.750418  4.218746       3.500836 
1 1 1 -1  4  22 o 37.63837 2.365602  -7.296783      4.731205 
1 1 1 -1  4  23 o 37.59632 2.362127  3.728081       4.724254 
1 1 1 -1  4  24 o 112.0445 1.828957  1.776810       3.657913 
1 1 1 -1  4  25 o 25.85161 4.222350  -2.290350      8.444700 
1 1 1 -1  4  26 o 59.69534 2.984272  -0.7501068     5.968544 
1 1 1 -1  4  27 o 19.44195 4.873958  17.00138       9.747915 
1 1 1 -1  4  28 o 19.50711 4.798321  5.765442       9.596642 
1 1 1 -1  4  29 o 53.31110 2.615304  -7.308231      5.230608 
1 1 1 -1  4  30 o 22.65340 4.540729  1.726952       9.081457 
1 1 1 -1  4  31 o 57.95773 2.511046  -3.209618      5.022091 
1 1 1 -1  4  32 o 38.38253 3.355875  -14.30099      6.711751 
1 1 1 -1  4  33 o 61.78220 2.971843  -28.66392      5.943686 
1 1 1 -1  4  34 o 16.37809 4.554143  3.984857       9.108286 
1 1 1 -1  4  35 o 38.66681 6.896263  ?              ?        
1 1 1 -1  4  36 o 43.29071 3.528213  -19.22263      7.056426 
1 1 1 -1  5  1  o 261.9615 5.182123  ?              ?        
1 1 1 -1  5  2  o 182.8989 3.855321  ?              ?        
1 1 1 -1  5  3  o 293.5281 4.096910  19.18140       8.193821 
1 1 1 -1  5  4  o 221.0390 3.210008  -1.840729      6.420016 
1 1 1 -1  5  5  o 99.74364 2.835770  ?              ?        
1 1 1 -1  5  6  o 63.22706 1.905069  0.4794006      3.810139 
1 1 1 -1  5  7  f 225.1819 2.855300  -14.44391      5.710601 
1 1 1 -1  5  8  o 353.5674 4.282949  -2.062500      8.565899 
1 1 1 -1  5  9  o 173.1275 2.020125  -0.1969910E-01 4.040250 
1 1 1 -1  5  10 o 202.1108 2.245253  0.2869873      4.490506 
1 1 1 -1  5  11 o 236.4080 2.517546  -1.408585      5.035091 
1 1 1 -1  5  12 o 208.4401 2.311138  2.468307       4.622275 
1 1 1 -1  5  13 o 434.4781 4.231110  8.669800       8.462220 
1 1 1 -1  5  14 o 172.3821 2.396535  6.093231       4.793071 
1 1 1 -1  5  15 o 183.1234 2.689715  1.281754       5.379431 
1 1 1 -1  5  16 f 182.5416 2.159217  -1.075226      4.318434 
1 1 1 -1  5  17 o 231.2694 3.139216  -0.4608154     6.278431 
1 1 1 -1  5  18 o 328.9028 4.055757  8.776672       8.111513 
1 1 1 -1  5  19 o 85.79205 1.799343  5.276520       3.598685 
1 1 1 -1  5  20 o 71.66930 1.771894  5.136368       3.543789 
1 1 1 -1  5  21 o 101.8698 1.781342  0.9698944      3.562685 
1 1 1 -1  5  22 o 86.83365 1.777613  -0.5969162     3.555226 
1 1 1 -1  5  23 o 89.10344 1.834956  -3.258614      3.669913 
1 1 1 -1  5  24 f 19.35480 3.858741  -8.137559      7.717482 
1 1 1 -1  5  25 o 97.76665 2.605235  4.266495       5.210470 
1 1 1 -1  5  26 o 56.24483 3.145345  -4.776577      6.290690 
1 1 1 -1  5  27 o 110.5226 2.100538  1.910828       4.201075 
1 1 1 -1  5  28 f 73.55202 2.363545  2.287071       4.727089 
1 1 1 -1  5  29 o 134.1087 2.228645  -4.126633      4.457290 
1 1 1 -1  5  30 o 28.10251 4.429171  -4.701773      8.858342 
1 1 1 -1  5  31 o 21.06764 4.315586  -9.139265      8.631171 
1 1 1 -1  5  32 o 12.28054 3.867118  2.321598       7.734237 
1 1 1 -1  5  33 o 13.53655 4.217252  -1.863338      8.434504 
1 1 1 -1  5  34 o 22.12656 6.752084  ?              ?        
1 1 1 -1  5  35 o 15.26859 4.189036  -1.180971      8.378072 
1 1 1 -1  6  1  x ?        ?         ?              ?        
1 1 1 -1  6  2  x ?        ?         ?              ?        
1 1 1 -1  6  3  o 193.6496 2.931630  -8.718033      5.863261 
1 1 1 -1  6  4  o 164.3007 2.632963  -4.576660      5.265925 
1 1 1 -1  6  5  o 98.55771 2.094830  3.466698       4.189661 
1 1 1 -1  6  6  o 180.5523 2.890965  -4.972748      5.781930 
1 1 1 -1  6  7  o 129.2370 2.146067  -0.7044983     4.292133 
1 1 1 -1  6  8  o 479.7432 5.627121  -14.97574      11.25424 
1 1 1 -1  6  9  o 211.9592 2.849751  -3.320511      5.699502 
1 1 1 -1  6  10 o 119.3703 2.165296  1.360283       4.330593 
1 1 1 -1  6  11 o 41.58832 2.207002  -1.847263      4.414004 
1 1 1 -1  6  12 f 219.6010 2.456100  -6.404037      4.912200 
1 1 1 -1  6  13 o 228.8420 3.007070  5.411774       6.014140 
1 1 1 -1  6  14 o 163.7706 4.327914  ?              ?        
1 1 1 -1  6  15 o 184.8619 2.238270  0.5682831      4.476540 
1 1 1 -1  6  16 o 41.72923 4.029421  -5.296909      8.058843 
1 1 1 -1  6  17 o 273.1358 3.564089  4.146545       7.128178 
1 1 1 -1  6  18 o 193.2163 2.314282  0.6782074      4.628563 
1 1 1 -1  6  19 o 39.57437 2.605430  1.920883       5.210859 
1 1 1 -1  6  20 o 173.1563 2.179087  -0.6345215     4.358173 
1 1 1 -1  6  21 o 76.79813 1.896921  3.583595       3.793841 
1 1 1 -1  6  22 o 112.0760 1.906835  3.020088       3.813669 
1 1 1 -1  6  23 o 62.02565 2.145859  -7.691814      4.291718 
1 1 1 -1  6  24 o 30.48711 3.247836  -0.6121559     6.495672 
1 1 1 -1  6  25 o 79.68739 2.792376  1.028549       5.584751 
1 1 1 -1  6  26 o 20.44542 4.369817  -1.199757      8.739635 
1 1 1 -1  6  27 o 88.54507 2.570951  -2.694023      5.141901 
1 1 1 -1  6  28 o 12.73960 4.064604  2.370570       8.129208 
1 1 1 -1  6  29 o 113.3870 2.263593  -16.83888      4.527187 
1 1 1 -1  6  30 o 92.54430 2.225766  -5.126488      4.451533 
1 1 1 -1  6  31 o 60.08518 2.556981  -21.01354      5.113963 
1 1 1 -1  6  32 o 16.70786 4.757158  -3.122332      9.514317 
1 1 1 -1  6  33 o 31.70922 3.668587  -15.93884      7.337173 
1 1 1 -1  6  34 o 35.81351 7.686172  ?              ?        
1 1 1 -1  6  35 o 13.46934 5.437683  ?              ?        
1 1 1 -1  7  1  o 266.9405 5.416154  ?              ?        
1 1 1 -1  7  2  o 169.1254 3.836786  ?              ?        
1 1 1 -1  7  3  o 81.17654 2.070428  7.855843       4.140855 
1 1 1 -1  7  4  o 46.42394 2.080415  4.346485       4.160829 
1 1 1 -1  7  5  o 217.2116 3.322111  1.379379       6.644222 
1 1 1 -1  7  6  o 163.5049 2.772071  0.7496796      5.544142 
1 1 1 -1  7  7  o 282.7214 4.122176  -8.678436      8.244351 
1 1 1 -1  7  8  o 249.6700 3.331472  11.14169       6.662944 
1 1 1 -1  7  9  o 331.3681 4.053431  -13.39261      8.106861 
1 1 1 -1  7  10 o 227.1187 3.123599  4.086060       6.247199 
1 1 1 -1  7  11 o 334.6733 4.818423  2.166931       9.636847 
1 1 1 -1  7  12 o 222.2505 3.083374  0.3926239      6.166748 
1 1 1 -1  7  13 o 164.5212 2.660182  3.806824       5.320364 
1 1 1 -1  7  14 f 335.9214 4.262136  -5.134369      8.524273 
1 1 1 -1  7  15 o 326.0034 3.370713  -6.206726      6.741427 
1 1 1 -1  7  16 o 164.9529 2.736878  2.395294       5.473756 
1 1 1 -1  7  17 o 227.9031 2.629789  12.79475       5.259577 
1 1 1 -1  7  18 o 178.2471 2.278487  -6.012115      4.556974 
1 1 1 -1  7  19 o 93.98709 1.983612  5.686913       3.967223 
1 1 1 -1  7  20 o 167.6285 2.215984  7.174194       4.431968 
1 1 1 -1  7  21 o 79.34482 1.970901  4.020309       3.941803 
1 1 1 -1  7  22 o 177.0705 2.604028  3.479248       5.208057 
1 1 1 -1  7  23 o 176.2079 2.301899  2.133041       4.603798 
1 1 1 -1  7  24 o 53.99840 3.195448  -0.4234505     6.390896 
1 1 1 -1  7  25 o 32.27960 4.768524  9.496452       9.537047 
1 1 1 -1  7  26 o 97.72733 2.630328  6.412239       5.260656 
1 1 1 -1  7  27 o 75.77859 2.430732  3.701981       4.861465 
1 1 1 -1  7  28 o 16.77616 4.448139  -3.685222      8.896277 
1 1 1 -1  7  29 o 83.50194 2.412293  -9.774620      4.824585 
1 1 1 -1  7  30 o 14.94844 3.920631  -8.272567      7.841261 
1 1 1 -1  7  31 o 32.83207 4.376567  -18.44576      8.753134 
1 1 1 -1  7  32 o 61.59304 2.434999  -22.28286      4.869998 
1 1 1 -1  7  33 o 34.88427 4.672957  ?              ?        
1 1 1 -1  7  34 o 27.77241 4.033566  -8.882959      8.067131 
1 1 1 -1  7  35 o 17.79083 4.853855  3.270138       9.707709 
1 1 1 -1  8  1  o 210.3392 4.686160  ?              ?        
1 1 1 -1  8  2  o 113.6851 3.184792  ?              ?        
1 1 1 -1  8  3  f 254.6222 3.783235  1.474197       7.566470 
1 1 1 -1  8  4  o 272.0780 3.977012  -1.011200      7.954023 
1 1 1 -1  8  5  o 240.9308 3.626315  6.591217       7.252630 
1 1 1 -1  8  6  o 103.1771 2.388322  -1.526199      4.776645 
1 1 1 -1  8  7  o 158.2376 2.840143  -3.624252      5.680286 
1 1 1 -1  8  8  o 327.2870 4.728866  -1.481689      9.457731 
1 1 1 -1  8  9  f 86.73679 2.726338  7.640923       5.452677 
1 1 1 -1  8  10 o 278.9962 4.226930  -3.650452      8.453859 
1 1 1 -1  8  11 o 307.1099 3.907846  -5.584015      7.815692 
1 1 1 -1  8  12 o 331.7211 4.209863  1.660522       8.419726 
1 1 1 -1  8  13 o 76.29605 2.849632  ?              ?        
1 1 1 -1  8  14 o 251.8029 3.986696  1.410843       7.973393 
1 1 1 -1  8  15 o 134.5604 2.643963  1.848511       5.287926 
1 1 1 -1  8  16 o 35.18800 4.185533  5.900661       8.371065 
1 1 1 -1  8  17 o 33.20597 4.389486  11.81204       8.778973 
1 1 1 -1  8  18 o 128.5214 2.123664  -1.207565      4.247329 
1 1 1 -1  8  19 o 107.0254 2.512432  ?              ?        
1 1 1 -1  8  20 o 58.41299 2.342193  -0.6106720     4.684386 
1 1 1 -1  8  21 o 76.75679 2.353124  -6.366600      4.706249 
1 1 1 -1  8  22 o 113.1525 2.111600  4.217590       4.223201 
1 1 1 -1  8  23 o 46.90388 3.602125  5.217304       7.204250 
1 1 1 -1  8  24 f 30.17088 4.213737  -2.403534      8.427475 
1 1 1 -1  8  25 o 148.7414 2.833366  2.350006       5.666733 
1 1 1 -1  8  26 o 47.02706 3.202986  4.608917       6.405973 
1 1 1 -1  8  27 o 77.21749 2.598173  -1.892410      5.196347 
1 1 1 -1  8  28 o 14.71872 4.391675  -0.5024948     8.783351 
1 1 1 -1  8  29 o 48.14262 3.651128  -22.45255      7.302257 
1 1 1 -1  8  30 o 58.18894 2.774409  -17.97519      5.548818 
1 1 1 -1  8  31 o 26.97482 3.847351  -23.90650      7.694702 
1 1 1 -1  8  32 o 21.84516 4.589798  -6.777775      9.179596 
1 1 1 -1  8  33 o 81.68258 2.306871  -29.90565      4.613743 
1 1 1 -1  8  34 o 13.22864 4.238529  -1.161760      8.477057 
1 1 1 -1  8  35 o 15.07833 4.082782  -13.04272      8.165565 
1 1 1 -1  9  1  o 135.4290 3.613288  ?              ?        
1 1 1 -1  9  2  o 133.9704 3.534522  ?              ?        
1 1 1 -1  9  3  o 106.7852 2.404965  10.42608       4.809929 
1 1 1 -1  9  4  o 218.4165 3.421160  1.040695       6.842320 
1 1 1 -1  9  5  o 188.3316 3.135597  -7.784790      6.271193 
1 1 1 -1  9  6  o 55.01539 3.757168  ?              ?        
1 1 1 -1  9  7  o 162.0909 4.174511  ?              ?        
1 1 1 -1  9  8  f 108.6431 2.663692  5.192360       5.327384 
1 1 1 -1  9  9  o 96.19798 2.666260  1.967384       5.332520 
1 1 1 -1  9  10 f 57.39969 4.189548  ?              ?        
1 1 1 -1  9  11 o 81.29523 2.939019  ?              ?        
1 1 1 -1  9  12 o 373.4126 7.659626  ?              ?        
1 1 1 -1  9  13 o 323.5447 4.185426  -3.435364      8.370852 
1 1 1 -1  9  14 o 117.3428 2.707414  -2.210350      5.414828 
1 1 1 -1  9  15 o 105.7668 2.736078  2.310455       5.472156 
1 1 1 -1  9  16 o 223.7206 3.261834  -4.748550      6.523668 
1 1 1 -1  9  17 o 219.3730 3.265192  0.9538422      6.530385 
1 1 1 -1  9  18 o 204.8568 3.127039  -0.4617310E-01 6.254078 
1 1 1 -1  9  19 o 56.89608 3.086744  1.408463       6.173488 
1 1 1 -1  9  20 o 71.40425 3.047451  4.911278       6.094902 
1 1 1 -1  9  21 f 101.4066 2.695529  2.235420       5.391058 
1 1 1 -1  9  22 o 34.79124 3.398285  ?              ?        
1 1 1 -1  9  23 o 36.27768 4.170852  -18.65387      8.341703 
1 1 1 -1  9  24 o 87.39194 2.912800  -4.852966      5.825599 
1 1 1 -1  9  25 o 71.54105 2.656463  2.387520       5.312925 
1 1 1 -1  9  26 o 104.2904 2.463840  4.156418       4.927680 
1 1 1 -1  9  27 o 78.93927 3.179277  -10.95802      6.358554 
1 1 1 -1  9  28 o 25.63952 4.132118  -16.76270      8.264236 
1 1 1 -1  9  29 o 49.58047 3.016406  -4.913475      6.032812 
1 1 1 -1  9  30 o 27.38691 4.177154  -11.51872      8.354308 
1 1 1 -1  9  31 o 49.24087 2.917999  -19.49323      5.835998 
1 1 1 -1  9  32 o 41.07996 3.308505  -25.15767      6.617009 
1 1 1 -1  9  33 o 43.68113 3.074463  -17.50061      6.148926 
1 1 1 -1  9  34 o 12.91307 4.058489  -5.076158      8.116979 
1 1 1 -1  10 1  x ?        ?         ?              ?        
1 1 1 -1  10 2  x ?        ?         ?              ?        
1 1 1 -1  10 3  o 274.6797 5.798915  ?              ?        
1 1 1 -1  10 4  o 180.2903 3.128663  -4.407272      6.257325 
1 1 1 -1  10 5  o 371.1427 5.287552  -2.139160      10.57510 
1 1 1 -1  10 6  o 181.1920 3.187531  -1.805923      6.375062 
1 1 1 -1  10 7  o 188.6775 4.617994  ?              ?        
1 1 1 -1  10 8  o 332.7870 6.869310  ?              ?        
1 1 1 -1  10 9  o 318.8366 4.722730  -6.275085      9.445460 
1 1 1 -1  10 10 o 238.6490 3.853504  12.94835       7.707008 
1 1 1 -1  10 11 o 165.6896 2.883791  10.28877       5.767583 
1 1 1 -1  10 12 o 319.9177 4.867795  8.206482       9.735590 
1 1 1 -1  10 13 o 113.3161 2.763926  -0.2916336     5.527851 
1 1 1 -1  10 14 o 235.4763 3.400489  -0.8846130     6.800979 
1 1 1 -1  10 15 o 154.3540 2.878746  3.917236       5.757493 
1 1 1 -1  10 16 o 176.8952 2.981346  0.2573395      5.962691 
1 1 1 -1  10 17 o 183.8405 3.048845  3.073410       6.097690 
1 1 1 -1  10 18 o 93.93460 3.026535  4.310478       6.053070 
1 1 1 -1  10 19 o 84.28456 2.867596  -1.602654      5.735192 
1 1 1 -1  10 20 o 59.07795 3.077412  6.149788       6.154825 
1 1 1 -1  10 21 o 156.6974 3.022129  ?              ?        
1 1 1 -1  10 22 o 100.5397 2.893218  -5.156174      5.786436 
1 1 1 -1  10 23 o 128.7429 3.398139  7.935989       6.796277 
1 1 1 -1  10 24 o 115.8624 3.005647  8.835564       6.011294 
1 1 1 -1  10 25 o 127.4174 3.108109  2.770531       6.216219 
1 1 1 -1  10 26 o 105.5520 3.236356  -6.982971      6.472712 
1 1 1 -1  10 27 o 12.71582 4.336473  0.1077013      8.672947 
1 1 1 -1  10 28 o 74.99034 3.616434  -15.88844      7.232867 
1 1 1 -1  10 29 o 26.43473 5.534373  8.324984       11.06875 
1 1 1 -1  10 30 o 17.37204 4.594121  -2.869465      9.188242 
1 1 1 -1  10 31 o 45.65329 3.446277  -7.623554      6.892555 
1 1 1 -1  10 32 o 31.21814 6.179340  ?              ?        
1 1 1 -1  10 33 o 15.50416 4.632140  3.216166       9.264279 
1 1 1 -1  10 34 o 22.31240 4.548484  -13.88951      9.096968 
1 1 1 -1  11 1  o 235.1922 5.274434  ?              ?        
1 1 1 -1  11 2  x ?        ?         ?              ?        
1 1 1 -1  11 3  o 278.0747 6.007141  ?              ?        
1 1 1 -1  11 4  o 318.8258 6.632354  ?              ?        
1 1 1 -1  11 5  o 242.6427 3.845158  -7.449799      7.690316 
1 1 1 -1  11 6  o 312.5184 4.650982  3.192505       9.301965 
1 1 1 -1  11 7  o 169.4506 3.212344  -11.13310      6.424689 
1 1 1 -1  11 8  o 215.7896 3.638583  -0.4877319     7.277167 
1 1 1 -1  11 9  o 240.4765 3.930962  17.15663       7.861923 
1 1 1 -1  11 10 o 242.4544 3.968214  5.026428       7.936427 
1 1 1 -1  11 11 o 507.8166 7.137715  7.376373       14.27543 
1 1 1 -1  11 12 o 246.5700 5.836378  ?              ?        
1 1 1 -1  11 13 f 90.09726 3.042713  -6.090805      6.085426 
1 1 1 -1  11 14 o 136.7004 2.822933  2.617401       5.645866 
1 1 1 -1  11 15 o 166.8292 2.978226  2.890503       5.956453 
1 1 1 -1  11 16 o 237.8300 3.999341  -0.7710876     7.998682 
1 1 1 -1  11 17 o 116.0761 3.127567  4.394051       6.255134 
1 1 1 -1  11 18 o 73.05375 2.958755  0.2557373E-01  5.917511 
1 1 1 -1  11 19 f 111.1133 2.883605  ?              ?        
1 1 1 -1  11 20 o 23.45846 4.321105  -14.13263      8.642211 
1 1 1 -1  11 21 o 130.4195 2.949618  -3.261902      5.899236 
1 1 1 -1  11 22 o 29.13621 6.240013  4.753590       12.48003 
1 1 1 -1  11 23 o 79.86896 3.260551  -3.475670      6.521103 
1 1 1 -1  11 24 o 65.95599 3.840556  -11.34247      7.681112 
1 1 1 -1  11 25 o 88.20483 3.378793  -4.174767      6.757586 
1 1 1 -1  11 26 f 29.80312 5.682874  15.77862       11.36575 
1 1 1 -1  11 27 f 17.49089 5.486883  7.896121       10.97377 
1 1 1 -1  11 28 o 103.5153 3.244384  -6.746407      6.488768 
1 1 1 -1  11 29 o 11.28330 5.016875  ?              ?        
1 1 1 -1  11 30 o 15.48483 4.629748  6.659366       9.259497 
1 1 1 -1  11 31 o 51.58925 4.714864  ?              ?        
1 1 1 -1  11 32 o 21.59339 4.612026  -17.35816      9.224052 
1 1 1 -1  11 33 o 28.56590 4.413235  -9.714056      8.826469 
1 1 1 -1  12 1  o 293.8618 6.268578  ?              ?        
1 1 1 -1  12 2  x ?        ?         ?              ?        
1 1 1 -1  12 3  o 289.4050 6.270460  ?              ?        
1 1 1 -1  12 4  o 267.2866 4.148379  5.652374       8.296759 
1 1 1 -1  12 5  o 189.2825 3.389340  7.645752       6.778680 
1 1 1 -1  12 6  f 207.8006 3.607709  -5.332642      7.215419 
1 1 1 -1  12 7  o 131.1026 3.076577  -2.917160      6.153154 
1 1 1 -1  12 8  o 235.3954 3.929895  -5.401566      7.859790 
1 1 1 -1  12 9  o 64.67258 3.780385  -0.3588943     7.560769 
1 1 1 -1  12 10 o 232.2895 3.929677  5.574478       7.859355 
1 1 1 -1  12 11 o 269.7214 4.351748  11.79739       8.703497 
1 1 1 -1  12 12 o 90.35706 5.033272  ?              ?        
1 1 1 -1  12 13 o 56.58987 3.547620  -5.951420      7.095240 
1 1 1 -1  12 14 o 91.39873 3.345792  3.937721       6.691584 
1 1 1 -1  12 15 o 79.85800 3.026128  -6.371155      6.052255 
1 1 1 -1  12 16 o 101.2381 2.864272  2.959625       5.728544 
1 1 1 -1  12 17 o 109.2410 3.193336  7.118835       6.386671 
1 1 1 -1  12 18 o 200.2981 3.614029  ?              ?        
1 1 1 -1  12 19 o 139.4499 5.120361  ?              ?        
1 1 1 -1  12 20 o 93.80463 3.485787  -1.315125      6.971574 
1 1 1 -1  12 21 o 82.35382 3.259407  -3.977989      6.518814 
1 1 1 -1  12 22 o 37.18701 5.295497  8.239269       10.59099 
1 1 1 -1  12 23 o 61.94935 4.120597  -3.719051      8.241195 
1 1 1 -1  12 24 o 111.6655 3.276221  1.260612       6.552442 
1 1 1 -1  12 25 o 81.49667 3.486908  -2.462624      6.973817 
1 1 1 -1  12 26 o 102.4256 3.578897  11.08131       7.157794 
1 1 1 -1  12 27 o 75.93250 3.650503  -12.99052      7.301006 
1 1 1 -1  12 28 o 34.28716 3.982826  ?              ?        
1 1 1 -1  12 29 o 40.09713 4.336141  -14.24080      8.672282 
1 1 1 -1  12 30 o 27.33618 7.201269  ?              ?        
1 1 1 -1  12 31 o 16.04148 4.726057  1.936907       9.452114 
1 1 1 -1  12 32 o 28.97934 4.131382  -15.04409      8.262763 
1 1 1 -1  12 33 o 29.30492 4.162429  -18.91682      8.324858 
1 1 1 -1  13 1  o 97.91815 4.063519  ?              ?        
1 1 1 -1  13 2  x ?        ?         ?              ?        
1 1 1 -1  13 3  o 121.4822 4.482175  ?              ?        
1 1 1 -1  13 4  f 285.5640 4.418682  -4.239777      8.837363 
1 1 1 -1  13 5  o 137.6049 3.151790  11.69466       6.303580 
1 1 1 -1  13 6  o 62.90279 3.771536  -6.997993      7.543071 
1 1 1 -1  13 7  o 159.2158 3.367476  9.895844       6.734953 
1 1 1 -1  13 8  o 208.8498 3.701797  -4.607422      7.403595 
1 1 1 -1  13 9  o 91.58769 3.411163  6.613441       6.822326 
1 1 1 -1  13 10 o 224.7479 3.917855  9.042511       7.835710 
1 1 1 -1  13 11 o 139.2625 3.520745  -5.689529      7.041490 
1 1 1 -1  13 12 x ?        ?         ?              ?        
1 1 1 -1  13 13 o 171.3155 3.163674  14.01662       6.327348 
1 1 1 -1  13 14 o 85.50175 2.998078  2.502319       5.996157 
1 1 1 -1  13 15 o 168.7079 3.502869  ?              ?        
1 1 1 -1  13 16 o 38.40159 4.542661  -1.855415      9.085322 
1 1 1 -1  13 17 o 192.7914 3.322655  5.121841       6.645310 
1 1 1 -1  13 18 o 100.8841 3.430111  -6.739510      6.860221 
1 1 1 -1  13 19 o 34.07566 5.019067  -8.788727      10.03813 
1 1 1 -1  13 20 o 193.2337 3.369740  -0.5801697     6.739480 
1 1 1 -1  13 21 o 91.91232 3.394817  4.416763       6.789633 
1 1 1 -1  13 22 o 126.8870 3.238901  6.827705       6.477801 
1 1 1 -1  13 23 o 22.06602 5.778912  2.504824       11.55782 
1 1 1 -1  13 24 o 56.79919 4.541206  18.54066       9.082412 
1 1 1 -1  13 25 o 78.78438 3.681867  9.985268       7.363733 
1 1 1 -1  13 26 o 59.12538 3.994136  -5.374256      7.988273 
1 1 1 -1  13 27 o 46.49244 3.619980  ?              ?        
1 1 1 -1  13 28 o 64.21508 3.393803  5.755543       6.787605 
1 1 1 -1  13 29 o 29.43826 5.206714  0.1943493      10.41343 
1 1 1 -1  13 30 o 31.68592 3.890822  -29.53668      7.781643 
1 1 1 -1  13 31 o 47.46458 3.041613  -8.196621      6.083227 
1 1 1 -1  13 32 o 24.52461 3.788689  -20.84641      7.577377 
1 1 1 -1  14 1  o 57.40582 5.338122  ?              ?        
1 1 1 -1  14 2  x ?        ?         ?              ?        
1 1 1 -1  14 3  x ?        ?         ?              ?        
1 1 1 -1  14 4  o 94.55981 4.820091  ?              ?        
1 1 1 -1  14 5  f 110.3399 3.242380  -4.915009      6.484761 
1 1 1 -1  14 6  o 222.6508 3.887075  0.2903900      7.774149 
1 1 1 -1  14 7  o 83.56859 3.557098  2.100975       7.114197 
1 1 1 -1  14 8  o 297.6734 6.608959  ?              ?        
1 1 1 -1  14 9  o 36.43481 8.138278  ?              ?        
1 1 1 -1  14 10 o 197.4441 3.733014  -8.778290      7.466028 
1 1 1 -1  14 11 o 69.94733 3.692103  0.3118515      7.384206 
1 1 1 -1  14 12 x ?        ?         ?              ?        
1 1 1 -1  14 13 o 111.3565 4.637527  ?              ?        
1 1 1 -1  14 14 o 54.90945 3.569914  -3.590366      7.139829 
1 1 1 -1  14 15 f 32.24186 5.625637  -2.346695      11.25127 
1 1 1 -1  14 16 o 207.1899 3.914040  12.87759       7.828081 
1 1 1 -1  14 17 o 162.5929 3.183233  4.440262       6.366467 
1 1 1 -1  14 18 o 70.60842 3.322375  7.410843       6.644750 
1 1 1 -1  14 19 f 37.67937 4.511239  13.96015       9.022477 
1 1 1 -1  14 20 o 49.67625 4.365477  -0.4556847     8.730954 
1 1 1 -1  14 21 o 89.83305 3.430388  -8.998970      6.860776 
1 1 1 -1  14 22 o 42.00807 5.231293  -3.396103      10.46259 
1 1 1 -1  14 23 o 68.68215 4.146845  -5.945984      8.293690 
1 1 1 -1  14 24 o 61.07372 4.175705  -9.236477      8.351410 
1 1 1 -1  14 25 o 81.50195 3.253094  ?              ?        
1 1 1 -1  14 26 o 34.19656 5.358243  -11.38574      10.71649 
1 1 1 -1  14 27 o 31.64432 5.043894  -12.41905      10.08779 
1 1 1 -1  14 28 o 62.96996 3.695566  -10.74218      7.391132 
1 1 1 -1  14 29 o 51.54473 3.479628  -19.56779      6.959255 
1 1 1 -1  14 30 o 13.27626 4.109125  2.142874       8.218250 
1 1 1 -1  14 31 o 13.95900 4.189338  6.286822       8.378676 
1 1 1 -1  14 32 o 18.22130 4.925201  6.424571       9.850402 
1 1 1 -1  15 1  x ?        ?         ?              ?        
1 1 1 -1  15 2  x ?        ?         ?              ?        
1 1 1 -1  15 3  x ?        ?         ?              ?        
1 1 1 -1  15 4  x ?        ?         ?              ?        
1 1 1 -1  15 5  o 70.32984 5.477322  ?              ?        
1 1 1 -1  15 6  o 111.4462 3.372075  1.371414       6.744150 
1 1 1 -1  15 7  o 153.2226 3.420550  -12.39186      6.841099 
1 1 1 -1  15 8  o 56.58821 3.959766  4.570313       7.919533 
1 1 1 -1  15 9  o 156.4238 4.837516  ?              ?        
1 1 1 -1  15 10 o 46.23119 6.471379  ?              ?        
1 1 1 -1  15 11 o 112.3086 3.353800  6.378403       6.707601 
1 1 1 -1  15 12 x ?        ?         ?              ?        
1 1 1 -1  15 13 o 143.0584 3.465908  -6.520020      6.931815 
1 1 1 -1  15 14 o 86.82176 3.114826  6.930641       6.229651 
1 1 1 -1  15 15 o 67.88004 3.344363  -6.581718      6.688725 
1 1 1 -1  15 16 o 53.63591 3.679683  6.804958       7.359366 
1 1 1 -1  15 17 o 151.0217 3.165234  -5.451431      6.330469 
1 1 1 -1  15 18 o 40.39536 4.940873  -13.19997      9.881745 
1 1 1 -1  15 19 o 57.22258 3.988686  0.4731560      7.977372 
1 1 1 -1  15 20 o 83.39980 3.496463  -9.231537      6.992925 
1 1 1 -1  15 21 o 30.53166 6.691589  -6.773191      13.38318 
1 1 1 -1  15 22 o 64.31321 4.128671  -8.881687      8.257341 
1 1 1 -1  15 23 o 46.25884 4.884441  ?              ?        
1 1 1 -1  15 24 o 51.93996 4.964220  -4.178841      9.928440 
1 1 1 -1  15 25 o 83.47987 3.445644  -1.347305      6.891288 
1 1 1 -1  15 26 f 41.37288 5.577384  -24.88965      11.15477 
1 1 1 -1  15 27 o 41.36268 4.221245  6.447521       8.442491 
1 1 1 -1  15 28 o 17.93946 4.442260  -7.254344      8.884520 
1 1 1 -1  15 29 o 29.53594 4.490042  -1.532501      8.980083 
1 1 1 -1  15 30 o 18.73563 4.237803  -9.610074      8.475606 
1 1 1 -1  15 31 o 22.40173 5.339921  -3.050571      10.67984 
1 1 1 -1  16 1  o 204.6365 3.778578  ?              ?        
1 1 1 -1  16 2  o 166.1293 5.298125  ?              ?        
1 1 1 -1  16 3  x ?        ?         ?              ?        
1 1 1 -1  16 4  f 186.7188 5.210796  ?              ?        
1 1 1 -1  16 5  o 64.43994 5.510153  ?              ?        
1 1 1 -1  16 6  o 50.12999 4.385513  -7.723564      8.771026 
1 1 1 -1  16 7  o 99.36792 3.400319  3.441277       6.800639 
1 1 1 -1  16 8  o 62.25685 3.662417  11.22319       7.324835 
1 1 1 -1  16 9  o 80.07471 3.532802  1.288483       7.065604 
1 1 1 -1  16 10 o 77.17431 3.541857  -0.6909332     7.083715 
1 1 1 -1  16 11 o 131.1223 3.412494  3.012497       6.824988 
1 1 1 -1  16 12 o 221.1115 5.732260  ?              ?        
1 1 1 -1  16 13 o 44.03238 4.914553  -17.16055      9.829106 
1 1 1 -1  16 14 o 24.15280 5.994975  -5.339808      11.98995 
1 1 1 -1  16 15 o 21.46900 5.462813  9.897602       10.92563 
1 1 1 -1  16 16 o 49.59946 4.577083  -14.15590      9.154165 
1 1 1 -1  16 17 o 83.76704 3.397366  12.22031       6.794732 
1 1 1 -1  16 18 o 56.28304 4.890572  2.037769       9.781143 
1 1 1 -1  16 19 o 85.72333 3.597116  -1.748535      7.194233 
1 1 1 -1  16 20 o 30.35079 5.872962  -8.879316      11.74592 
1 1 1 -1  16 21 x ?        ?         ?              ?        
1 1 1 -1  16 22 o 51.22936 4.715960  -2.581432      9.431919 
1 1 1 -1  16 23 o 50.65960 4.423415  9.114704       8.846829 
1 1 1 -1  16 24 o 66.48726 4.315348  0.3960648      8.630695 
1 1 1 -1  16 25 o 40.52402 4.772896  -13.13531      9.545792 
1 1 1 -1  16 26 o 42.92657 4.540617  -25.03362      9.081235 
1 1 1 -1  16 27 o 26.41503 4.896843  -9.633110      9.793686 
1 1 1 -1  16 28 o 17.86155 4.658096  -0.8613911     9.316193 
1 1 1 -1  16 29 o 42.08362 4.193502  -27.17503      8.387005 
1 1 1 -1  16 30 o 27.39812 4.123801  -15.09587      8.247602 
1 1 1 -1  17 1  o 85.66366 3.335893  ?              ?        
1 1 1 -1  17 2  o 67.85387 3.649397  ?              ?        
1 1 1 -1  17 3  x ?        ?         ?              ?        
1 1 1 -1  17 4  o 119.0626 4.640364  ?              ?        
1 1 1 -1  17 5  o 108.9786 4.603750  ?              ?        
1 1 1 -1  17 6  o 133.9004 4.746559  ?              ?        
1 1 1 -1  17 7  o 29.71357 5.380043  -17.54968      10.76009 
1 1 1 -1  17 8  o 56.83549 3.872239  -7.180046      7.744478 
1 1 1 -1  17 9  o 118.9273 3.446561  13.76939       6.893122 
1 1 1 -1  17 10 o 73.08383 3.560606  -14.60267      7.121212 
1 1 1 -1  17 11 o 124.0687 3.491262  -13.66212      6.982524 
1 1 1 -1  17 12 o 151.5319 5.133227  ?              ?        
1 1 1 -1  17 13 o 72.26855 3.871524  -6.836487      7.743048 
1 1 1 -1  17 14 o 41.79510 5.376026  13.19844       10.75205 
1 1 1 -1  17 15 o 51.03444 4.188136  4.795395       8.376272 
1 1 1 -1  17 16 f 65.87616 4.691116  -0.6071091     9.382233 
1 1 1 -1  17 17 o 46.88124 4.657855  4.994247       9.315710 
1 1 1 -1  17 18 o 61.53309 4.074965  15.18208       8.149931 
1 1 1 -1  17 19 o 12.17978 5.911744  ?              ?        
1 1 1 -1  17 20 o 77.51933 3.842268  3.718208       7.684536 
1 1 1 -1  17 21 o 49.24153 4.696561  12.88646       9.393123 
1 1 1 -1  17 22 o 70.43132 4.315339  -5.725883      8.630678 
1 1 1 -1  17 23 o 37.60062 5.331621  -19.10464      10.66324 
1 1 1 -1  17 24 o 77.68643 3.429744  -7.014641      6.859487 
1 1 1 -1  17 25 o 30.26743 4.778545  -7.184118      9.557091 
1 1 1 -1  17 26 o 26.84172 5.121027  -2.268755      10.24205 
1 1 1 -1  17 27 o 29.17838 4.905733  -10.97614      9.811466 
1 1 1 -1  17 28 o 41.99715 3.950219  ?              ?        
1 1 1 -1  17 29 o 17.76313 4.245329  -7.305231      8.490658 
1 1 1 -1  17 30 o 14.90662 4.094942  -6.976858      8.189883 
1 1 1 -1  18 1  o 110.0353 3.246123  ?              ?        
1 1 1 -1  18 2  o 54.64002 3.871000  ?              ?        
1 1 1 -1  18 3  x ?        ?         ?              ?        
1 1 1 -1  18 4  o 55.44406 5.698386  ?              ?        
1 1 1 -1  18 5  o 96.08419 4.602067  ?              ?        
1 1 1 -1  18 6  o 140.7341 4.908219  ?              ?        
1 1 1 -1  18 7  o 196.3322 5.542452  ?              ?        
1 1 1 -1  18 8  o 65.33963 3.901593  3.988167       7.803187 
1 1 1 -1  18 9  o 120.7975 3.571282  7.408371       7.142564 
1 1 1 -1  18 10 o 123.5980 3.558270  -8.543900      7.116541 
1 1 1 -1  18 11 o 116.7550 3.579484  0.8365707      7.158968 
1 1 1 -1  18 12 x ?        ?         ?              ?        
1 1 1 -1  18 13 o 102.0348 5.180407  ?              ?        
1 1 1 -1  18 14 o 26.41438 6.295624  -9.158670      12.59125 
1 1 1 -1  18 15 o 54.63340 5.039804  -13.96297      10.07961 
1 1 1 -1  18 16 o 154.8348 4.060083  ?              ?        
1 1 1 -1  18 17 o 97.77911 3.586211  -1.106392      7.172422 
1 1 1 -1  18 18 o 60.85319 4.303283  -17.67858      8.606565 
1 1 1 -1  18 19 o 89.58578 4.292928  9.630829       8.585855 
1 1 1 -1  18 20 o 33.27253 6.676011  -13.66380      13.35202 
1 1 1 -1  18 21 f 36.53487 5.702687  -3.647469      11.40537 
1 1 1 -1  18 22 o 19.20705 5.614554  4.559822       11.22911 
1 1 1 -1  18 23 o 70.82358 3.537521  -10.56664      7.075042 
1 1 1 -1  18 24 o 26.13839 5.183070  2.248625       10.36614 
1 1 1 -1  18 25 o 28.38737 4.683901  -13.67694      9.367802 
1 1 1 -1  18 26 o 41.74132 3.360127  -4.497734      6.720255 
1 1 1 -1  18 27 o 15.39993 4.115200  11.43598       8.230399 
1 1 1 -1  18 28 o 16.51499 6.896533  ?              ?        
1 1 1 -1  18 29 o 24.51150 4.446510  -7.267103      8.893021 
1 1 1 -1  19 1  o 95.61657 3.363077  ?              ?        
1 1 1 -1  19 2  o 39.70620 4.899124  ?              ?        
1 1 1 -1  19 3  o 50.09249 5.612207  ?              ?        
1 1 1 -1  19 4  o 42.34694 7.839974  ?              ?        
1 1 1 -1  19 5  o 90.52012 5.026786  ?              ?        
1 1 1 -1  19 6  o 147.3673 5.264814  ?              ?        
1 1 1 -1  19 7  o 122.4329 5.830454  ?              ?        
1 1 1 -1  19 8  x ?        ?         ?              ?        
1 1 1 -1  19 9  o 131.9860 5.192727  ?              ?        
1 1 1 -1  19 10 o 68.91331 4.121377  7.481468       8.242753 
1 1 1 -1  19 11 o 19.06730 5.738844  -5.586758      11.47769 
1 1 1 -1  19 12 o 86.97559 4.325540  -14.10623      8.651080 
1 1 1 -1  19 13 o 180.9097 5.721340  ?              ?        
1 1 1 -1  19 14 o 107.9297 4.008909  13.49908       8.017817 
1 1 1 -1  19 15 o 44.52701 6.351086  -5.248615      12.70217 
1 1 1 -1  19 16 o 47.92645 6.051355  7.764473       12.10271 
1 1 1 -1  19 17 o 97.77087 4.164050  9.553429       8.328099 
1 1 1 -1  19 18 o 93.52860 3.837538  -1.401871      7.675076 
1 1 1 -1  19 19 o 49.44349 4.883410  3.226398       9.766821 
1 1 1 -1  19 20 o 47.30173 5.478831  -22.99023      10.95766 
1 1 1 -1  19 21 o 61.87283 3.893160  -7.059216      7.786319 
1 1 1 -1  19 22 o 33.95525 5.233842  -14.41971      10.46768 
1 1 1 -1  19 23 o 21.64538 5.675685  -0.1924629     11.35137 
1 1 1 -1  19 24 o 29.42780 4.890910  -3.537519      9.781819 
1 1 1 -1  19 25 o 52.67327 3.601578  -20.11425      7.203156 
1 1 1 -1  19 26 o 19.77216 5.987600  ?              ?        
1 1 1 -1  19 27 o 28.35199 7.208924  ?              ?        
1 1 1 -1  19 28 o 20.70364 5.172428  0.7304573E-01  10.34486 
1 1 1 -1  20 1  x ?        ?         ?              ?        
1 1 1 -1  20 2  x ?        ?         ?              ?        
1 1 1 -1  20 3  x ?        ?         ?              ?        
1 1 1 -1  20 4  o 19.17340 7.827682  ?              ?        
1 1 1 -1  20 5  o 142.5521 5.333034  ?              ?        
1 1 1 -1  20 6  o 116.7369 5.320628  ?              ?        
1 1 1 -1  20 7  o 160.2043 5.506973  ?              ?        
1 1 1 -1  20 8  o 146.0546 5.535155  ?              ?        
1 1 1 -1  20 9  o 42.90447 8.097533  ?              ?        
1 1 1 -1  20 10 o 27.07016 6.310290  -9.854918      12.62058 
1 1 1 -1  20 11 o 120.6020 3.874930  12.41891       7.749860 
1 1 1 -1  20 12 o 70.60529 4.480272  2.603127       8.960544 
1 1 1 -1  20 13 o 64.40386 4.960886  -21.32642      9.921771 
1 1 1 -1  20 14 o 81.71088 4.279459  19.61424       8.558919 
1 1 1 -1  20 15 o 69.78246 4.829131  -11.89172      9.658262 
1 1 1 -1  20 16 o 25.64833 6.822572  1.953289       13.64514 
1 1 1 -1  20 17 o 64.44861 4.415131  -2.487740      8.830261 
1 1 1 -1  20 18 o 73.03573 3.996036  1.586533       7.992071 
1 1 1 -1  20 19 o 39.61721 5.616395  -13.83913      11.23279 
1 1 1 -1  20 20 o 29.85592 6.107416  1.787365       12.21483 
1 1 1 -1  20 21 o 70.86480 4.134070  2.724121       8.268140 
1 1 1 -1  20 22 o 41.22955 4.339688  5.312222       8.679376 
1 1 1 -1  20 23 o 28.83535 4.891917  -5.714277      9.783834 
1 1 1 -1  20 24 x ?        ?         ?              ?        
1 1 1 -1  20 25 o 18.49265 4.136693  -7.353298      8.273387 
1 1 1 -1  20 26 o 25.99878 4.101135  -13.10546      8.202271 
1 1 1 -1  20 27 o 17.74606 4.876078  1.408033       9.752156 
1 1 1 -1  21 1  x ?        ?         ?              ?        
1 1 1 -1  21 2  x ?        ?         ?              ?        
1 1 1 -1  21 3  x ?        ?         ?              ?        
1 1 1 -1  21 4  o 51.81158 6.072859  ?              ?        
1 1 1 -1  21 5  o 60.81624 7.105313  ?              ?        
1 1 1 -1  21 6  o 63.72116 6.019444  ?              ?        
1 1 1 -1  21 7  o 100.1820 5.648588  ?              ?        
1 1 1 -1  21 8  o 109.0118 5.635161  ?              ?        
1 1 1 -1  21 9  o 58.41032 7.394018  ?              ?        
1 1 1 -1  21 10 o 51.54431 7.830645  ?              ?        
1 1 1 -1  21 11 o 64.04910 4.697940  -2.410847      9.395880 
1 1 1 -1  21 12 o 23.94248 6.777917  -7.753439      13.55583 
1 1 1 -1  21 13 o 21.04255 6.072205  6.440519       12.14441 
1 1 1 -1  21 14 o 29.87971 7.166880  -6.740782      14.33376 
1 1 1 -1  21 15 o 31.98025 6.374035  18.73189       12.74807 
1 1 1 -1  21 16 o 25.96481 6.660796  6.209366       13.32159 
1 1 1 -1  21 17 o 42.65025 5.209930  0.6040306      10.41986 
1 1 1 -1  21 18 o 67.36113 4.499955  5.683594       8.999910 
1 1 1 -1  21 19 o 32.95536 5.419917  -4.915001      10.83983 
1 1 1 -1  21 20 o 38.33887 4.919726  -3.517841      9.839453 
1 1 1 -1  21 21 o 47.77260 4.139099  ?              ?        
1 1 1 -1  21 22 o 15.78162 4.617890  2.481945       9.235781 
1 1 1 -1  21 23 o 19.58991 4.741744  -2.368164      9.483487 
1 1 1 -1  21 24 o 18.22787 4.146842  -8.782467      8.293684 
1 1 1 -1  21 25 o 23.36219 4.944369  5.332199       9.888739 
1 1 1 -1  21 26 o 39.09354 3.570995  7.478535       7.141990 
1 1 1 -1  22 1  x ?        ?         ?              ?        
1 1 1 -1  22 2  x ?        ?         ?              ?        
1 1 1 -1  22 3  x ?        ?         ?              ?        
1 1 1 -1  22 4  o 34.47783 8.067450  ?              ?        
1 1 1 -1  22 5  o 70.04801 4.357792  ?              ?        
1 1 1 -1  22 6  o 65.66386 6.441676  ?              ?        
1 1 1 -1  22 7  o 74.27155 6.162066  ?              ?        
1 1 1 -1  22 8  o 31.79644 10.57104  ?              ?        
1 1 1 -1  22 9  o 74.99705 6.505163  ?              ?        
1 1 1 -1  22 10 o 54.58427 8.330010  ?              ?        
1 1 1 -1  22 11 o 84.94360 6.193426  ?              ?        
1 1 1 -1  22 12 o 83.99650 6.182232  ?              ?        
1 1 1 -1  22 13 o 34.79835 6.735692  4.608345       13.47138 
1 1 1 -1  22 14 o 22.89911 5.884754  15.07342       11.76951 
1 1 1 -1  22 15 o 47.54366 8.556963  ?              ?        
1 1 1 -1  22 16 o 59.28208 4.805509  -0.5863190     9.611017 
1 1 1 -1  22 17 o 15.46812 5.038519  -2.018394      10.07704 
1 1 1 -1  22 18 o 25.30079 6.778663  ?              ?        
1 1 1 -1  22 19 o 35.25849 5.389619  -5.940155      10.77924 
1 1 1 -1  22 20 o 33.51257 4.636024  1.119579       9.272047 
1 1 1 -1  22 21 o 11.82715 3.860870  4.761368       7.721741 
1 1 1 -1  22 22 o 12.96332 4.084575  1.169846       8.169149 
1 1 1 -1  22 23 o 29.19393 4.133753  -18.99796      8.267507 
1 1 1 -1  22 24 o 34.73627 4.021595  -1.222145      8.043190 
1 1 1 -1  23 1  x ?        ?         ?              ?        
1 1 1 -1  23 2  x ?        ?         ?              ?        
1 1 1 -1  23 3  x ?        ?         ?              ?        
1 1 1 -1  23 4  o 160.3204 5.734634  ?              ?        
1 1 1 -1  23 5  o 31.02812 9.726443  ?              ?        
1 1 1 -1  23 6  o 29.63989 8.065843  ?              ?        
1 1 1 -1  23 7  o 38.79037 10.27694  ?              ?        
1 1 1 -1  23 8  o 63.72384 7.290844  ?              ?        
1 1 1 -1  23 9  o 30.16750 9.809108  ?              ?        
1 1 1 -1  23 10 x ?        ?         ?              ?        
1 1 1 -1  23 11 x ?        ?         ?              ?        
1 1 1 -1  23 12 o 93.98851 6.134333  ?              ?        
1 1 1 -1  23 13 o 40.45473 9.199262  ?              ?        
1 1 1 -1  23 14 o 27.06489 6.677970  2.169273       13.35594 
1 1 1 -1  23 15 o 24.81009 9.172378  ?              ?        
1 1 1 -1  23 16 o 28.69744 6.443612  7.536144       12.88722 
1 1 1 -1  23 17 o 20.12119 5.639519  8.467503       11.27904 
1 1 1 -1  23 18 o 17.02409 4.871505  -1.968082      9.743010 
1 1 1 -1  23 19 o 29.35097 5.538119  0.5365829      11.07624 
1 1 1 -1  23 20 o 15.97485 4.558319  -1.254680      9.116637 
1 1 1 -1  23 21 o 15.76484 4.301300  -3.779928      8.602599 
1 1 1 -1  23 22 o 11.56397 3.759128  1.916075       7.518256 
1 1 1 -1  23 23 o 32.10502 4.106973  -20.69878      8.213945 
1 1 1 -1  24 1  x ?        ?         ?              ?        
1 1 1 -1  24 2  x ?        ?         ?              ?        
1 1 1 -1  24 3  x ?        ?         ?              ?        
1 1 1 -1  24 4  o 86.31857 5.950621  ?              ?        
1 1 1 -1  24 5  o 90.26394 6.023781  ?              ?        
1 1 1 -1  24 6  o 31.70474 10.62971  ?              ?        
1 1 1 -1  24 7  f 46.37039 8.725953  ?              ?        
1 1 1 -1  24 8  o 55.56021 7.951776  ?              ?        
1 1 1 -1  24 9  o 39.42396 9.453379  ?              ?        
1 1 1 -1  24 10 o 26.68783 10.14548  ?              ?        
1 1 1 -1  24 11 f 22.13890 9.140348  ?              ?        
1 1 1 -1  24 12 o 23.11956 9.342093  ?              ?        
1 1 1 -1  24 13 o 39.44252 8.112759  ?              ?        
1 1 1 -1  24 14 o 19.10243 8.180282  ?              ?        
1 1 1 -1  24 15 o 34.88514 8.664158  ?              ?        
1 1 1 -1  24 16 o 25.33298 5.682727  -3.954548      11.36545 
1 1 1 -1  24 17 o 19.85656 5.343972  5.154274       10.68794 
1 1 1 -1  24 18 o 34.92469 4.371022  11.48152       8.742043 
1 1 1 -1  24 19 o 13.16753 4.144562  0.5846224      8.289124 
1 1 1 -1  24 20 o 9.605771 3.237657  -3.381838      6.475314 
1 1 1 -1  24 21 o 18.96440 4.651865  -1.960575      9.303730 
1 1 1 -1  24 22 o 20.02677 5.179032  -6.738991      10.35806 
1 1 1 -1  25 1  x ?        ?         ?              ?        
1 1 1 -1  25 2  x ?        ?         ?              ?        
1 1 1 -1  25 3  x ?        ?         ?              ?        
1 1 1 -1  25 4  o 39.63396 8.452071  ?              ?        
1 1 1 -1  25 5  f 32.43644 9.346999  ?              ?        
1 1 1 -1  25 6  o 88.62767 4.096323  ?              ?        
1 1 1 -1  25 7  o 15.71089 6.732046  ?              ?        
1 1 1 -1  25 8  o 28.33113 7.530730  ?              ?        
1 1 1 -1  25 9  o 67.67928 5.826021  ?              ?        
1 1 1 -1  25 10 o 24.72271 9.109669  ?              ?        
1 1 1 -1  25 11 o 61.44490 6.347532  ?              ?        
1 1 1 -1  25 12 o 46.17517 6.865927  ?              ?        
1 1 1 -1  25 13 o 17.20977 7.132739  ?              ?        
1 1 1 -1  25 14 o 23.17192 7.868832  ?              ?        
1 1 1 -1  25 15 o 32.63602 6.896235  ?              ?        
1 1 1 -1  25 16 o 45.33735 5.092060  ?              ?        
1 1 1 -1  25 17 o 16.51287 4.832592  0.8399010E-01  9.665183 
1 1 1 -1  25 18 o 20.01002 4.789365  -0.6743126     9.578731 
1 1 1 -1  25 19 o 21.54391 5.076962  13.30318       10.15392 
1 1 1 -1  25 20 o 12.84910 4.217802  -1.343707      8.435604 
1 1 1 -1  26 1  x ?        ?         ?              ?        
1 1 1 -1  26 2  x ?        ?         ?              ?        
1 1 1 -1  26 3  x ?        ?         ?              ?        
1 1 1 -1  26 4  o 23.71343 8.884223  ?              ?        
1 1 1 -1  26 5  o 62.45715 6.535080  ?              ?        
1 1 1 -1  26 6  x ?        ?         ?              ?        
1 1 1 -1  26 7  o 34.73128 6.364994  ?              ?        
1 1 1 -1  26 8  o 33.78484 6.299013  ?              ?        
1 1 1 -1  26 9  o 15.36216 6.253322  ?              ?        
1 1 1 -1  26 10 o 40.77589 6.046149  ?              ?        
1 1 1 -1  26 11 o 23.07559 7.855826  ?              ?        
1 1 1 -1  26 12 o 30.55530 7.055348  ?              ?        
1 1 1 -1  26 13 o 21.08167 6.996031  ?              ?        
1 1 1 -1  26 14 o 16.39939 6.468327  ?              ?        
1 1 1 -1  26 15 x ?        ?         ?              ?        
1 1 1 -1  26 16 x ?        ?         ?              ?        
1 1 1 -1  26 17 x ?        ?         ?              ?        
1 1 1 -1  26 18 x ?        ?         ?              ?        
1 1 1 -1  27 1  x ?        ?         ?              ?        
1 1 1 -1  27 2  x ?        ?         ?              ?        
1 1 1 -1  27 3  x ?        ?         ?              ?        
1 1 1 -1  27 4  o 41.20555 6.609956  ?              ?        
1 1 1 -1  27 5  o 53.72060 5.750975  ?              ?        
1 1 1 -1  27 6  o 45.56060 6.414652  ?              ?        
1 1 1 -1  27 7  o 17.86792 6.584108  ?              ?        
1 1 1 -1  27 8  o 55.71696 3.936200  ?              ?        
1 1 1 -1  27 9  o 37.03468 4.675920  ?              ?        
1 1 1 -1  27 10 o 47.59036 5.734235  ?              ?        
1 1 1 -1  27 11 x ?        ?         ?              ?        
1 1 1 -1  27 12 x ?        ?         ?              ?        
1 1 1 -1  27 13 x ?        ?         ?              ?        
1 1 1 -1  27 14 x ?        ?         ?              ?        
1 1 1 -1  27 15 x ?        ?         ?              ?        
1 1 1 -1  27 16 x ?        ?         ?              ?        
1 1 1 -1  28 1  x ?        ?         ?              ?        
1 1 1 -1  28 2  x ?        ?         ?              ?        
1 1 1 -1  28 3  x ?        ?         ?              ?        
1 1 1 -1  28 4  x ?        ?         ?              ?        
1 1 1 -1  28 5  x ?        ?         ?              ?        
1 1 1 -1  28 6  x ?        ?         ?              ?        
1 1 1 -1  28 7  x ?        ?         ?              ?        
1 1 1 -1  28 8  x ?        ?         ?              ?        
1 1 1 -1  28 9  x ?        ?         ?              ?        
1 1 1 -1  28 10 x ?        ?         ?              ?        
1 1 1 -1  28 11 x ?        ?         ?              ?        
1 1 1 -1  28 12 x ?        ?         ?              ?        
1 1 1 -1  28 13 x ?        ?         ?              ?        
1 1 1 -1  29 1  x ?        ?         ?              ?        
1 1 1 -1  29 2  x ?        ?         ?              ?        
1 1 1 -1  29 3  x ?        ?         ?              ?        
1 1 1 -1  29 4  x ?        ?         ?              ?        
1 1 1 -1  29 5  x ?        ?         ?              ?        
1 1 1 -1  29 6  x ?        ?         ?              ?        
1 1 1 -1  29 7  x ?        ?         ?              ?        
1 1 1 -1  29 8  x ?        ?         ?              ?        
1 1 1 -1  29 9  x ?        ?         ?              ?        
1 1 1 -1  29 10 x ?        ?         ?              ?        
1 1 1 -1  30 1  x ?        ?         ?              ?        
1 1 1 -1  30 2  x ?        ?         ?              ?        
1 1 1 -1  30 3  x ?        ?         ?              ?        
1 1 1 -1  30 4  x ?        ?         ?              ?        
1 1 1 0   0  2  o 101.2199 1.427845  -0.000000      0.000000 
1 1 1 0   0  3  x ?        ?         ?              ?        
1 1 1 0   0  4  o 43.62908 0.9193891 -0.000000      0.000000 
1 1 1 0   0  5  o 200.4741 2.724938  -0.000000      0.000000 
1 1 1 0   0  6  o 632.6056 8.378940  -0.000000      0.000000 
1 1 1 0   0  7  o 351.7042 4.699097  -0.000000      0.000000 
1 1 1 0   0  8  o 32.96003 1.272057  -0.000000      0.000000 
1 1 1 0   0  9  o 274.7140 5.319839  -0.000000      0.000000 
1 1 1 0   0  10 x ?        ?         ?              ?        
1 1 1 0   0  11 o 134.8248 2.744008  -0.000000      0.000000 
1 1 1 0   0  12 o 144.6099 2.168678  -0.000000      0.000000 
1 1 1 0   0  13 o 8.686137 4.315173  -0.000000      0.000000 
1 1 1 0   0  14 f 54.51718 1.499029  -0.000000      0.000000 
1 1 1 0   0  15 o 410.2816 5.518775  -0.000000      0.000000 
1 1 1 0   0  16 o 123.7494 2.077824  -0.000000      0.000000 
1 1 1 0   0  17 o 104.1217 2.013736  -0.000000      0.000000 
1 1 1 0   0  18 o 215.2661 4.667388  -0.000000      0.000000 
1 1 1 0   0  19 o 210.4211 3.109346  -0.000000      0.000000 
1 1 1 0   0  20 o 262.7988 3.768643  -0.000000      0.000000 
1 1 1 0   0  21 o 176.9857 2.793282  -0.000000      0.000000 
1 1 1 0   0  22 o 42.72045 2.419715  -0.000000      0.000000 
1 1 1 0   0  23 o 40.49749 2.561111  -0.000000      0.000000 
1 1 1 0   0  24 o 67.01921 2.252076  -0.000000      0.000000 
1 1 1 0   0  25 o 11.13322 6.065693  -0.000000      0.000000 
1 1 1 0   0  26 o 181.5387 3.079224  -0.000000      0.000000 
1 1 1 0   0  27 x ?        ?         ?              ?        
1 1 1 0   0  28 o 136.4327 2.865740  -0.000000      0.000000 
1 1 1 0   0  29 f 136.7904 3.805453  -0.000000      0.000000 
1 1 1 0   0  30 o 97.60737 2.861698  -0.000000      0.000000 
1 1 1 0   0  31 o 115.1749 2.992134  -0.000000      0.000000 
1 1 1 0   0  32 o 13.17014 7.137845  -0.000000      0.000000 
1 1 1 0   0  33 o 22.36787 6.822337  -0.000000      0.000000 
1 1 1 0   0  34 o 33.64001 4.125185  -0.000000      0.000000 
1 1 1 0   0  35 o 7.681637 5.222818  -0.000000      0.000000 
1 1 1 0   0  36 o 15.61403 7.142883  -0.000000      0.000000 
1 1 1 0   1  1  o 252.4429 3.434168  23.26192       6.868337 
1 1 1 0   1  2  o 237.1994 2.277778  -0.6116638     4.555555 
1 1 1 0   1  3  o 143.9807 1.464392  2.601532       2.928783 
1 1 1 0   1  4  o 111.1241 1.202059  -6.697601      2.404119 
1 1 1 0   1  5  o 248.3183 2.393658  0.1905975      4.787316 
1 1 1 0   1  6  o 225.3864 2.204777  -18.58984      4.409554 
1 1 1 0   1  7  o 407.7131 3.862422  -18.67200      7.724844 
1 1 1 0   1  8  o 247.9050 2.985029  -11.53743      5.970057 
1 1 1 0   1  9  o 18.49229 2.264580  -3.140846      4.529160 
1 1 1 0   1  10 o 221.9596 4.276093  ?              ?        
1 1 1 0   1  11 f 169.7924 2.453104  14.39967       4.906209 
1 1 1 0   1  12 o 158.1663 2.416440  ?              ?        
1 1 1 0   1  13 o 146.2589 1.582020  -2.225311      3.164040 
1 1 1 0   1  14 o 157.5633 1.684384  2.667679       3.368768 
1 1 1 0   1  15 o 260.2361 2.564487  13.55640       5.128974 
1 1 1 0   1  16 o 330.8898 3.207413  6.436371       6.414827 
1 1 1 0   1  17 f 226.3748 2.304352  4.167694       4.608703 
1 1 1 0   1  18 o 308.0272 4.374588  5.088867       8.749177 
1 1 1 0   1  19 o 155.0296 1.783343  -2.424194      3.566685 
1 1 1 0   1  20 o 85.43024 1.705980  2.158554       3.411960 
1 1 1 0   1  21 o 44.99670 1.686163  -6.975594      3.372326 
1 1 1 0   1  22 o 29.43705 2.134571  4.334629       4.269141 
1 1 1 0   1  23 o 155.9952 1.875831  -1.045212      3.751662 
1 1 1 0   1  24 o 116.0753 1.697070  -1.800507      3.394141 
1 1 1 0   1  25 f 53.07690 1.915685  -1.460724      3.831370 
1 1 1 0   1  26 o 57.06306 1.994339  1.183048       3.988678 
1 1 1 0   1  27 o 68.37653 5.239363  ?              ?        
1 1 1 0   1  28 o 36.36543 2.878055  5.259731       5.756111 
1 1 1 0   1  29 o 42.25222 3.416374  -11.63822      6.832748 
1 1 1 0   1  30 o 59.08976 2.248630  5.828964       4.497260 
1 1 1 0   1  31 o 115.5387 2.099198  -6.272003      4.198397 
1 1 1 0   1  32 o 59.21928 2.294370  0.9562912      4.588740 
1 1 1 0   1  33 o 22.77566 4.037865  -3.547844      8.075729 
1 1 1 0   1  34 o 62.53128 3.109191  ?              ?        
1 1 1 0   1  35 o 10.58801 3.474739  -5.089339      6.949477 
1 1 1 0   1  36 o 39.99966 2.651105  -6.017937      5.302210 
1 1 1 0   2  0  x ?        ?         ?              ?        
1 1 1 0   2  1  o 272.5621 3.698041  2.626953       7.396083 
1 1 1 0   2  2  o 299.9487 4.060864  5.180725       8.121729 
1 1 1 0   2  3  o 127.3398 1.698255  -0.3461761     3.396509 
1 1 1 0   2  4  o 164.0352 1.708696  -10.27473      3.417392 
1 1 1 0   2  5  o 429.1554 4.071380  -7.188385      8.142760 
1 1 1 0   2  6  o 191.7433 1.953480  -8.780457      3.906960 
1 1 1 0   2  7  o 78.95992 1.145852  4.127083       2.291704 
1 1 1 0   2  8  o 174.4873 2.581685  -17.34631      5.163369 
1 1 1 0   2  9  o 19.92823 1.757272  6.846470       3.514545 
1 1 1 0   2  10 o 16.63919 2.720662  -5.792823      5.441325 
1 1 1 0   2  11 o 109.0771 1.696088  1.923630       3.392176 
1 1 1 0   2  12 o 274.3424 2.694564  -3.940125      5.389128 
1 1 1 0   2  13 o 202.3765 2.077618  -4.323502      4.155237 
1 1 1 0   2  14 o 150.2933 1.675001  -0.7201233     3.350002 
1 1 1 0   2  15 o 94.87494 1.382722  4.166260       2.765444 
1 1 1 0   2  16 o 238.3772 2.420107  0.7013397      4.840214 
1 1 1 0   2  17 o 117.0507 1.577760  3.035828       3.155519 
1 1 1 0   2  18 o 128.7848 2.472072  3.724518       4.944145 
1 1 1 0   2  19 o 141.7439 1.736771  0.2796021      3.473542 
1 1 1 0   2  20 o 273.3677 3.859856  4.617401       7.719713 
1 1 1 0   2  21 o 93.66418 1.533525  5.970474       3.067051 
1 1 1 0   2  22 o 25.37283 2.697459  8.851225       5.394917 
1 1 1 0   2  23 o 174.1331 2.023729  -1.540833      4.047457 
1 1 1 0   2  24 o 83.00183 1.653320  -1.126495      3.306641 
1 1 1 0   2  25 o 11.59534 3.342845  8.967979       6.685690 
1 1 1 0   2  26 o 129.1168 1.894798  4.855072       3.789596 
1 1 1 0   2  27 x ?        ?         ?              ?        
1 1 1 0   2  28 o 147.3052 2.132834  5.046692       4.265668 
1 1 1 0   2  29 o 51.12015 3.135382  -3.814205      6.270764 
1 1 1 0   2  30 o 86.03011 2.107279  -5.629524      4.214558 
1 1 1 0   2  31 o 77.61548 2.107764  5.508568       4.215528 
1 1 1 0   2  32 o 23.43387 3.980731  8.008289       7.961461 
1 1 1 0   2  33 o 57.33998 2.251667  -12.37646      4.503333 
1 1 1 0   2  34 o 23.17313 3.852652  -6.607809      7.705305 
1 1 1 0   2  35 o 38.72327 3.294419  4.658825       6.588838 
1 1 1 0   2  36 o 23.31749 3.916300  0.5537739      7.832599 
1 1 1 0   3  1  o 119.5257 1.862333  2.324654       3.724667 
1 1 1 0   3  2  o 167.5224 2.438920  -11.85483      4.877841 
1 1 1 0   3  3  f 455.3306 6.126919  -26.41937      12.25384 
1 1 1 0   3  4  o 167.9367 2.496231  -2.498642      4.992462 
1 1 1 0   3  5  o 306.9953 3.520505  -26.97046      7.041009 
1 1 1 0   3  6  o 144.6089 2.010923  -0.7955170     4.021847 
1 1 1 0   3  7  o 169.2875 2.198668  -9.514709      4.397337 
1 1 1 0   3  8  o 81.12621 1.296639  2.888847       2.593278 
1 1 1 0   3  9  o 70.11867 1.609339  -6.592033      3.218678 
1 1 1 0   3  10 o 143.4472 2.402844  -0.6915131     4.805688 
1 1 1 0   3  11 o 461.4432 4.418006  -0.9662476     8.836012 
1 1 1 0   3  12 o 251.1635 2.536985  -4.667892      5.073969 
1 1 1 0   3  13 o 120.2188 1.534076  -0.6576462     3.068153 
1 1 1 0   3  14 o 140.5111 1.672274  -0.6795502     3.344548 
1 1 1 0   3  15 o 183.4022 1.998599  -4.762711      3.997198 
1 1 1 0   3  16 o 184.7495 2.034356  4.594788       4.068712 
1 1 1 0   3  17 o 208.9756 2.611582  4.939178       5.223163 
1 1 1 0   3  18 o 97.05373 2.171515  -2.666885      4.343030 
1 1 1 0   3  19 o 66.35442 2.022244  -3.260696      4.044487 
1 1 1 0   3  20 o 146.4226 2.143974  6.914169       4.287949 
1 1 1 0   3  21 o 94.10164 1.606100  0.3616562      3.212201 
1 1 1 0   3  22 o 77.66197 1.641742  -6.509712      3.283484 
1 1 1 0   3  23 o 49.03690 1.960269  -5.827824      3.920538 
1 1 1 0   3  24 o 94.84823 1.699962  -4.488037      3.399923 
1 1 1 0   3  25 o 57.01097 1.960778  1.335804       3.921556 
1 1 1 0   3  26 o 71.60005 2.486257  -0.2809219     4.972513 
1 1 1 0   3  27 o 44.18544 3.866133  1.451729       7.732266 
1 1 1 0   3  28 o 63.40044 2.259325  6.599358       4.518650 
1 1 1 0   3  29 o 26.52990 4.459066  -1.744879      8.918132 
1 1 1 0   3  30 o 13.34272 4.042533  3.573901       8.085067 
1 1 1 0   3  31 o 100.8654 2.153864  -13.55576      4.307728 
1 1 1 0   3  32 o 13.38655 3.735396  -6.403137      7.470792 
1 1 1 0   3  33 o 39.85716 2.727791  -2.662964      5.455583 
1 1 1 0   3  34 o 56.47495 3.317839  ?              ?        
1 1 1 0   3  35 o 18.88851 4.049423  8.478554       8.098846 
1 1 1 0   4  0  x ?        ?         ?              ?        
1 1 1 0   4  1  o 418.1411 5.630386  -1.461975      11.26077 
1 1 1 0   4  2  o 317.6436 4.339047  9.988312       8.678095 
1 1 1 0   4  3  o 365.0688 4.953436  -3.196533      9.906873 
1 1 1 0   4  4  o 31.17827 2.349349  ?              ?        
1 1 1 0   4  5  o 415.3203 5.651334  -23.58688      11.30267 
1 1 1 0   4  6  o 172.2446 2.270512  -6.536011      4.541023 
1 1 1 0   4  7  o 66.55215 2.677469  ?              ?        
1 1 1 0   4  8  o 173.9381 2.432187  -0.5096130     4.864374 
1 1 1 0   4  9  o 72.50408 2.796651  ?              ?        
1 1 1 0   4  10 o 71.01799 1.480994  4.382889       2.961988 
1 1 1 0   4  11 o 155.9351 1.846177  -2.449097      3.692353 
1 1 1 0   4  12 o 83.39656 1.495525  -0.7456131     2.991050 
1 1 1 0   4  13 o 183.4882 2.053467  0.2740936      4.106935 
1 1 1 0   4  14 o 143.0820 1.776809  -4.151718      3.553619 
1 1 1 0   4  15 o 394.6502 3.844056  6.575195       7.688112 
1 1 1 0   4  16 o 162.0773 2.276791  -7.687042      4.553583 
1 1 1 0   4  17 o 168.8055 2.579947  8.396103       5.159895 
1 1 1 0   4  18 o 124.3361 1.757602  -4.116226      3.515204 
1 1 1 0   4  19 o 110.6735 2.142670  3.305450       4.285340 
1 1 1 0   4  20 o 123.8487 2.106919  7.093185       4.213838 
1 1 1 0   4  21 o 157.1317 1.951852  1.170227       3.903704 
1 1 1 0   4  22 o 57.33474 1.857035  4.737206       3.714069 
1 1 1 0   4  23 o 50.67969 1.985877  -3.028992      3.971754 
1 1 1 0   4  24 o 28.98978 3.233523  -5.583721      6.467046 
1 1 1 0   4  25 f 156.2334 2.078317  -0.7723083     4.156634 
1 1 1 0   4  26 o 87.43375 2.334553  -8.374100      4.669106 
1 1 1 0   4  27 o 122.8044 2.785678  7.380959       5.571355 
1 1 1 0   4  28 o 84.28764 2.741359  6.304642       5.482718 
1 1 1 0   4  29 o 74.92948 2.520396  -15.59030      5.040792 
1 1 1 0   4  30 o 32.69968 3.721216  -5.942457      7.442432 
1 1 1 0   4  31 o 40.34525 2.916242  -0.4318237     5.832483 
1 1 1 0   4  32 o 22.10283 3.882586  -12.99939      7.765171 
1 1 1 0   4  33 o 50.40759 3.635905  ?              ?        
1 1 1 0   4  34 o 54.03780 2.799335  -13.98015      5.598669 
1 1 1 0   4  35 o 29.67597 5.780145  ?              ?        
1 1 1 0   5  1  x ?        ?         ?              ?        
1 1 1 0   5  2  o 136.9274 2.197003  1.848602       4.394007 
1 1 1 0   5  3  o 310.0844 4.280643  -5.494110      8.561287 
1 1 1 0   5  4  o 171.2766 2.638340  -10.98494      5.276680 
1 1 1 0   5  5  o 294.0444 5.824120  ?              ?        
1 1 1 0   5  6  o 269.3268 5.436246  ?              ?        
1 1 1 0   5  7  o 140.1908 2.449124  -4.131882      4.898249 
1 1 1 0   5  8  o 355.0618 4.237943  -10.68552      8.475885 
1 1 1 0   5  9  o 342.7230 4.149677  -3.937286      8.299355 
1 1 1 0   5  10 o 115.0678 1.677866  0.1880417      3.355733 
1 1 1 0   5  11 o 82.78365 2.439048  ?              ?        
1 1 1 0   5  12 o 222.6153 2.411243  2.231705       4.822485 
1 1 1 0   5  13 o 83.95277 1.654836  2.650208       3.309673 
1 1 1 0   5  14 o 181.7031 2.120943  2.170197       4.241886 
1 1 1 0   5  15 o 162.1092 2.320405  5.481964       4.640810 
1 1 1 0   5  16 o 158.9604 2.533757  -2.936951      5.067513 
1 1 1 0   5  17 o 201.6975 2.293740  -1.233414      4.587480 
1 1 1 0   5  18 o 166.0681 2.565207  -1.621475      5.130413 
1 1 1 0   5  19 f 96.45492 2.148566  2.036621       4.297132 
1 1 1 0   5  20 o 81.33412 1.801987  -9.771431      3.603975 
1 1 1 0   5  21 o 76.15375 1.775589  4.523010       3.551179 
1 1 1 0   5  22 o 121.2028 1.848439  -3.360535      3.696877 
1 1 1 0   5  23 o 114.8380 1.847818  2.668716       3.695637 
1 1 1 0   5  24 o 111.6295 1.895798  -1.864296      3.791597 
1 1 1 0   5  25 o 15.54446 4.338554  1.518579       8.677109 
1 1 1 0   5  26 o 48.25955 3.446884  3.600712       6.893768 
1 1 1 0   5  27 o 107.9817 4.997482  ?              ?        
1 1 1 0   5  28 o 21.13578 4.709247  1.778692       9.418493 
1 1 1 0   5  29 o 60.77758 2.640142  -10.20422      5.280284 
1 1 1 0   5  30 o 54.19325 2.742716  -13.62793      5.485432 
1 1 1 0   5  31 o 53.57269 2.700434  -18.22251      5.400868 
1 1 1 0   5  32 o 16.69791 4.309074  -3.239825      8.618148 
1 1 1 0   5  33 o 36.76580 2.942408  -10.86668      5.884815 
1 1 1 0   5  34 o 13.98059 4.106975  1.072347       8.213950 
1 1 1 0   5  35 o 12.20111 3.768787  -4.343382      7.537574 
1 1 1 0   6  0  x ?        ?         ?              ?        
1 1 1 0   6  1  x ?        ?         ?              ?        
1 1 1 0   6  2  o 133.9295 3.180655  ?              ?        
1 1 1 0   6  3  o 312.0305 4.345395  6.840790       8.690789 
1 1 1 0   6  4  o 99.29884 2.027973  -3.498817      4.055946 
1 1 1 0   6  5  o 187.0667 2.905837  0.8542938      5.811674 
1 1 1 0   6  6  o 82.59902 2.080092  -7.292435      4.160184 
1 1 1 0   6  7  o 230.2130 3.460366  -10.23317      6.920733 
1 1 1 0   6  8  o 169.1771 2.446533  -2.611572      4.893067 
1 1 1 0   6  9  o 91.39783 1.996656  1.717606       3.993312 
1 1 1 0   6  10 o 321.3633 3.992501  1.199036       7.985002 
1 1 1 0   6  11 o 281.6392 3.531813  -10.00488      7.063627 
1 1 1 0   6  12 o 144.7225 2.359948  -0.6172485     4.719896 
1 1 1 0   6  13 o 243.1099 2.628774  -3.110016      5.257548 
1 1 1 0   6  14 o 237.2802 3.105415  1.986206       6.210831 
1 1 1 0   6  15 o 355.3909 4.378997  -4.889557      8.757994 
1 1 1 0   6  16 o 77.39133 2.065846  -3.158295      4.131692 
1 1 1 0   6  17 o 256.7504 3.441233  -3.404175      6.882465 
1 1 1 0   6  18 o 108.8591 3.636432  ?              ?        
1 1 1 0   6  19 o 194.8963 2.304019  -8.023010      4.608039 
1 1 1 0   6  20 o 152.9946 2.060964  3.467285       4.121927 
1 1 1 0   6  21 o 123.5163 1.922909  5.580116       3.845818 
1 1 1 0   6  22 o 85.15749 1.860721  7.471886       3.721441 
1 1 1 0   6  23 f 97.04369 1.879953  3.932297       3.759905 
1 1 1 0   6  24 o 55.10055 2.497199  -6.797291      4.994397 
1 1 1 0   6  25 o 85.45832 2.065474  7.357330       4.130947 
1 1 1 0   6  26 o 23.80169 9.260438  ?              ?        
1 1 1 0   6  27 f 141.3633 2.234482  -2.331482      4.468963 
1 1 1 0   6  28 o 97.53337 2.535818  -1.905357      5.071636 
1 1 1 0   6  29 o 100.3438 2.240425  -4.413216      4.480851 
1 1 1 0   6  30 o 43.21035 3.151125  -10.73980      6.302251 
1 1 1 0   6  31 o 36.58349 3.411688  -8.251385      6.823376 
1 1 1 0   6  32 o 55.66836 3.793363  ?              ?        
1 1 1 0   6  33 o 39.46721 3.535100  -18.30850      7.070200 
1 1 1 0   6  34 o 22.48483 4.482291  -4.658794      8.964582 
1 1 1 0   6  35 o 17.91458 4.742279  -5.214324      9.484557 
1 1 1 0   7  1  x ?        ?         ?              ?        
1 1 1 0   7  2  o 98.10657 2.041199  1.429024       4.082397 
1 1 1 0   7  3  o 136.7803 2.404001  -7.477631      4.808002 
1 1 1 0   7  4  o 86.27586 2.079890  -5.127563      4.159781 
1 1 1 0   7  5  o 234.7277 3.514450  6.106171       7.028900 
1 1 1 0   7  6  o 57.12542 2.158442  -6.247700      4.316885 
1 1 1 0   7  7  o 39.08447 2.592675  7.922035       5.185349 
1 1 1 0   7  8  o 107.1804 2.369221  1.168037       4.738443 
1 1 1 0   7  9  o 133.2538 2.605478  -2.687531      5.210957 
1 1 1 0   7  10 o 132.6306 2.340382  5.027847       4.680764 
1 1 1 0   7  11 o 459.6994 5.556381  6.343933       11.11276 
1 1 1 0   7  12 o 273.9998 4.098394  4.309418       8.196789 
1 1 1 0   7  13 o 129.9394 2.434855  5.851143       4.869710 
1 1 1 0   7  14 o 550.4493 6.544523  -3.535400      13.08905 
1 1 1 0   7  15 o 248.3537 3.761238  ?              ?        
1 1 1 0   7  16 o 241.2896 2.713142  -8.125610      5.426283 
1 1 1 0   7  17 o 87.92762 2.554237  1.612335       5.108474 
1 1 1 0   7  18 o 136.5913 2.076221  4.408203       4.152443 
1 1 1 0   7  19 o 58.41066 2.212837  3.224510       4.425674 
1 1 1 0   7  20 o 50.01114 2.407398  -0.3760109     4.814796 
1 1 1 0   7  21 o 54.20409 2.292929  -3.809551      4.585857 
1 1 1 0   7  22 o 115.3882 2.033292  1.987160       4.066585 
1 1 1 0   7  23 o 94.98664 2.186118  -3.462051      4.372235 
1 1 1 0   7  24 o 115.0641 2.077251  9.835129       4.154502 
1 1 1 0   7  25 f 59.42512 3.723690  -9.977448      7.447380 
1 1 1 0   7  26 o 59.57395 2.606958  4.008629       5.213917 
1 1 1 0   7  27 o 133.0549 2.725207  -3.788467      5.450414 
1 1 1 0   7  28 o 63.91447 2.617678  -1.713867      5.235357 
1 1 1 0   7  29 o 43.37770 3.415692  -12.62133      6.831385 
1 1 1 0   7  30 o 26.02847 4.284487  -8.129810      8.568974 
1 1 1 0   7  31 o 30.71085 3.854099  -16.62749      7.708197 
1 1 1 0   7  32 o 46.96668 3.280113  -15.38132      6.560225 
1 1 1 0   7  33 o 54.30413 3.808071  ?              ?        
1 1 1 0   7  34 o 33.60615 5.489291  ?              ?        
1 1 1 0   7  35 o 22.03360 5.851408  ?              ?        
1 1 1 0   8  0  x ?        ?         ?              ?        
1 1 1 0   8  1  x ?        ?         ?              ?        
1 1 1 0   8  2  o 159.9945 3.837248  ?              ?        
1 1 1 0   8  3  o 36.54957 2.383364  3.295803       4.766728 
1 1 1 0   8  4  o 251.1572 3.727809  2.778763       7.455618 
1 1 1 0   8  5  o 217.5287 3.363008  11.85590       6.726017 
1 1 1 0   8  6  o 57.78078 2.330530  4.305820       4.661061 
1 1 1 0   8  7  o 184.9057 3.097806  0.7343903      6.195611 
1 1 1 0   8  8  o 45.29221 2.800714  0.8853416      5.601428 
1 1 1 0   8  9  o 190.7836 3.189487  -0.4900665     6.378974 
1 1 1 0   8  10 o 93.31433 2.714072  -12.08656      5.428145 
1 1 1 0   8  11 o 191.4112 2.798919  -11.95680      5.597838 
1 1 1 0   8  12 o 340.2346 4.278132  -1.391510      8.556264 
1 1 1 0   8  13 o 332.2841 4.800646  ?              ?        
1 1 1 0   8  14 o 122.3909 2.772901  ?              ?        
1 1 1 0   8  15 o 76.41106 3.201921  4.472069       6.403843 
1 1 1 0   8  16 o 167.0450 2.824474  3.455750       5.648949 
1 1 1 0   8  17 o 52.63484 3.158340  9.923534       6.316680 
1 1 1 0   8  18 o 246.9202 3.439197  -3.525162      6.878394 
1 1 1 0   8  19 f 140.3864 2.657154  1.880844       5.314309 
1 1 1 0   8  20 o 58.73667 2.262398  7.456333       4.524797 
1 1 1 0   8  21 o 140.3169 2.170799  -4.137894      4.341599 
1 1 1 0   8  22 o 59.54465 2.467520  8.017170       4.935040 
1 1 1 0   8  23 o 47.76450 2.867542  -6.346149      5.735083 
1 1 1 0   8  24 o 191.9991 3.238464  5.908096       6.476928 
1 1 1 0   8  25 o 39.14117 3.470276  9.042923       6.940551 
1 1 1 0   8  26 o 138.1504 2.860074  -4.687103      5.720148 
1 1 1 0   8  27 o 88.29098 2.453131  5.464005       4.906262 
1 1 1 0   8  28 o 14.90105 4.540449  4.304184       9.080898 
1 1 1 0   8  29 o 42.85659 3.306957  -7.356030      6.613914 
1 1 1 0   8  30 o 55.46175 2.651392  -11.41634      5.302784 
1 1 1 0   8  31 o 44.99045 3.617332  -27.37217      7.234665 
1 1 1 0   8  32 o 73.30594 2.298732  -23.89739      4.597465 
1 1 1 0   8  33 o 62.12776 3.280053  ?              ?        
1 1 1 0   8  34 o 14.11216 4.198052  -6.107794      8.396104 
1 1 1 0   9  1  x ?        ?         ?              ?        
1 1 1 0   9  2  o 200.5087 4.570154  ?              ?        
1 1 1 0   9  3  o 86.70134 2.271760  1.240288       4.543519 
1 1 1 0   9  4  o 136.2593 2.610735  2.899200       5.221470 
1 1 1 0   9  5  o 185.3438 3.097518  4.355957       6.195036 
1 1 1 0   9  6  o 85.14706 2.441353  9.275620       4.882707 
1 1 1 0   9  7  o 343.3123 6.979197  ?              ?        
1 1 1 0   9  8  o 315.5835 6.540582  ?              ?        
1 1 1 0   9  9  f 160.7567 3.010211  -2.879303      6.020422 
1 1 1 0   9  10 o 168.7179 3.118773  -11.61728      6.237547 
1 1 1 0   9  11 o 124.2321 2.913980  ?              ?        
1 1 1 0   9  12 o 68.98114 2.842941  -4.852318      5.685882 
1 1 1 0   9  13 o 320.0474 4.773395  9.259644       9.546790 
1 1 1 0   9  14 o 100.7213 3.084217  -7.497841      6.168435 
1 1 1 0   9  15 o 230.2002 3.366134  6.122726       6.732267 
1 1 1 0   9  16 f 211.9937 3.175883  -2.148239      6.351767 
1 1 1 0   9  17 o 190.5260 3.013666  -1.289780      6.027332 
1 1 1 0   9  18 o 102.3042 2.652887  12.26900       5.305774 
1 1 1 0   9  19 o 162.1559 2.846245  -1.942581      5.692491 
1 1 1 0   9  20 o 123.6370 2.684654  -2.315186      5.369308 
1 1 1 0   9  21 o 123.5259 2.958584  3.091255       5.917168 
1 1 1 0   9  22 o 66.89355 3.151637  -8.191673      6.303274 
1 1 1 0   9  23 o 169.5814 2.993017  ?              ?        
1 1 1 0   9  24 o 102.7130 2.927481  13.87177       5.854961 
1 1 1 0   9  25 o 69.24754 3.866839  2.616776       7.733679 
1 1 1 0   9  26 o 23.62322 5.931490  -8.878862      11.86298 
1 1 1 0   9  27 o 23.55643 5.222421  -3.853926      10.44484 
1 1 1 0   9  28 o 23.10780 4.410326  -8.048149      8.820652 
1 1 1 0   9  29 o 67.03240 2.609333  -12.97826      5.218666 
1 1 1 0   9  30 o 15.72879 4.750239  -3.927673      9.500478 
1 1 1 0   9  31 o 39.49954 3.136094  -5.489170      6.272188 
1 1 1 0   9  32 o 31.56473 3.780548  -18.39448      7.561096 
1 1 1 0   9  33 o 36.18411 3.568788  -19.22171      7.137577 
1 1 1 0   9  34 o 38.91611 3.493753  -38.56887      6.987506 
1 1 1 0   10 0  x ?        ?         ?              ?        
1 1 1 0   10 1  x ?        ?         ?              ?        
1 1 1 0   10 2  x ?        ?         ?              ?        
1 1 1 0   10 3  x ?        ?         ?              ?        
1 1 1 0   10 4  o 108.3965 2.560697  0.3431854      5.121395 
1 1 1 0   10 5  o 310.4279 4.541820  -4.446991      9.083639 
1 1 1 0   10 6  o 187.9480 3.210078  0.6248016      6.420155 
1 1 1 0   10 7  o 135.7257 2.831423  12.36223       5.662846 
1 1 1 0   10 8  o 389.8011 7.854682  ?              ?        
1 1 1 0   10 9  o 174.8520 4.485662  ?              ?        
1 1 1 0   10 10 o 151.9437 3.094072  -8.281174      6.188144 
1 1 1 0   10 11 o 105.5131 3.012864  -0.2384109     6.025728 
1 1 1 0   10 12 o 78.82115 2.965845  -1.740097      5.931691 
1 1 1 0   10 13 o 256.1280 3.637865  13.23370       7.275729 
1 1 1 0   10 14 o 198.8455 3.147443  2.256943       6.294887 
1 1 1 0   10 15 o 214.2673 3.216562  -3.582062      6.433125 
1 1 1 0   10 16 o 25.09106 5.346328  8.603693       10.69266 
1 1 1 0   10 17 o 96.49850 2.771381  5.570709       5.542763 
1 1 1 0   10 18 o 70.42053 2.883670  3.477158       5.767340 
1 1 1 0   10 19 o 178.5497 3.399309  8.537918       6.798619 
1 1 1 0   10 20 o 120.6991 2.770075  3.197495       5.540150 
1 1 1 0   10 21 o 43.64066 3.872922  0.4382133      7.745845 
1 1 1 0   10 22 o 148.7904 2.948940  ?              ?        
1 1 1 0   10 23 o 27.80667 5.016124  -7.563341      10.03225 
1 1 1 0   10 24 o 43.84241 5.014304  -5.041096      10.02861 
1 1 1 0   10 25 o 135.1109 3.190184  2.975204       6.380368 
1 1 1 0   10 26 o 15.16935 5.114185  11.90503       10.22837 
1 1 1 0   10 27 o 95.87785 3.253869  -16.43907      6.507738 
1 1 1 0   10 28 o 20.00180 5.522817  10.09885       11.04563 
1 1 1 0   10 29 o 58.74808 3.963700  -25.01518      7.927399 
1 1 1 0   10 30 o 13.27732 4.234319  2.767716       8.468638 
1 1 1 0   10 31 o 58.59181 3.298231  ?              ?        
1 1 1 0   10 32 o 15.52835 4.365510  -5.301986      8.731021 
1 1 1 0   10 33 f 51.09056 3.560229  -36.47306      7.120459 
1 1 1 0   10 34 o 30.91985 4.997613  -4.047991      9.995226 
1 1 1 0   11 1  x ?        ?         ?              ?        
1 1 1 0   11 2  f 89.36182 3.722778  ?              ?        
1 1 1 0   11 3  o 229.2220 5.193563  ?              ?        
1 1 1 0   11 4  o 301.5545 6.338976  ?              ?        
1 1 1 0   11 5  o 195.7222 4.745628  ?              ?        
1 1 1 0   11 6  o 204.2010 3.462769  4.702011       6.925537 
1 1 1 0   11 7  o 261.6125 4.088362  -1.055634      8.176724 
1 1 1 0   11 8  o 126.9086 2.951027  8.067154       5.902054 
1 1 1 0   11 9  o 131.2970 3.032407  -1.882874      6.064815 
1 1 1 0   11 10 o 322.6436 4.843539  2.995819       9.687078 
1 1 1 0   11 11 o 101.1768 3.217077  -6.074669      6.434154 
1 1 1 0   11 12 o 152.3394 2.924256  7.231033       5.848512 
1 1 1 0   11 13 o 90.07248 2.985658  -3.757706      5.971316 
1 1 1 0   11 14 o 83.05443 2.920594  0.2813416      5.841189 
1 1 1 0   11 15 o 54.79630 3.516401  -6.429340      7.032802 
1 1 1 0   11 16 o 46.61005 3.625046  6.537663       7.250093 
1 1 1 0   11 17 o 36.92772 4.944583  5.709579       9.889167 
1 1 1 0   11 18 o 108.5231 2.817854  -1.543121      5.635708 
1 1 1 0   11 19 o 27.52946 4.638443  -8.010157      9.276886 
1 1 1 0   11 20 o 69.98035 3.020717  ?              ?        
1 1 1 0   11 21 o 61.60281 3.269089  11.58236       6.538178 
1 1 1 0   11 22 f 32.93975 5.149876  -4.160986      10.29975 
1 1 1 0   11 23 o 78.12448 3.853216  -5.761116      7.706432 
1 1 1 0   11 24 o 53.15601 3.801070  11.36219       7.602140 
1 1 1 0   11 25 o 74.65070 3.644408  -9.847908      7.288816 
1 1 1 0   11 26 o 54.14053 4.176921  -2.020092      8.353842 
1 1 1 0   11 27 o 29.99770 5.550471  24.26029       11.10094 
1 1 1 0   11 28 o 84.05281 3.501427  -13.70713      7.002854 
1 1 1 0   11 29 o 44.03148 4.532605  -15.60769      9.065209 
1 1 1 0   11 30 x ?        ?         ?              ?        
1 1 1 0   11 31 o 20.37182 4.640065  -9.184402      9.280129 
1 1 1 0   11 32 o 51.57551 4.557624  ?              ?        
1 1 1 0   11 33 o 34.91014 4.571170  -23.43506      9.142340 
1 1 1 0   12 0  o 243.9267 5.467098  ?              ?        
1 1 1 0   12 1  o 118.8464 3.918243  ?              ?        
1 1 1 0   12 2  o 127.3119 4.177089  ?              ?        
1 1 1 0   12 3  o 105.3288 3.993822  ?              ?        
1 1 1 0   12 4  o 79.77511 4.137567  ?              ?        
1 1 1 0   12 5  o 232.0928 3.795516  -0.2089081     7.591033 
1 1 1 0   12 6  o 241.0066 3.894109  8.974945       7.788218 
1 1 1 0   12 7  o 88.50244 3.170598  10.26612       6.341196 
1 1 1 0   12 8  o 264.8228 4.202948  5.347900       8.405895 
1 1 1 0   12 9  o 285.7791 4.448323  -4.387939      8.896646 
1 1 1 0   12 10 o 288.4261 4.504654  7.821289       9.009308 
1 1 1 0   12 11 o 104.3270 3.314068  0.4674530      6.628137 
1 1 1 0   12 12 o 332.3249 5.038380  -1.454468      10.07676 
1 1 1 0   12 13 o 262.5065 3.727584  1.883911       7.455168 
1 1 1 0   12 14 o 179.7293 3.062916  -5.631104      6.125832 
1 1 1 0   12 15 o 228.2103 3.981493  5.923660       7.962985 
1 1 1 0   12 16 o 161.9598 3.024389  3.572067       6.048778 
1 1 1 0   12 17 o 111.6690 2.849164  5.406158       5.698328 
1 1 1 0   12 18 o 55.81243 3.545386  ?              ?        
1 1 1 0   12 19 o 24.49411 5.444014  4.545374       10.88803 
1 1 1 0   12 20 o 35.32680 5.022561  -17.72824      10.04512 
1 1 1 0   12 21 o 105.0239 3.540401  -0.1196899     7.080803 
1 1 1 0   12 22 o 139.8323 3.135580  -4.346344      6.271159 
1 1 1 0   12 23 o 48.85736 4.383069  4.336864       8.766138 
1 1 1 0   12 24 o 131.6543 3.186524  -13.18452      6.373049 
1 1 1 0   12 25 o 26.43311 5.725541  -0.9700127     11.45108 
1 1 1 0   12 26 f 64.14968 3.856710  2.567432       7.713420 
1 1 1 0   12 27 o 91.77115 3.482148  -0.5524673     6.964296 
1 1 1 0   12 28 f 68.13043 3.469509  -2.478722      6.939018 
1 1 1 0   12 29 o 31.73851 4.359746  ?              ?        
1 1 1 0   12 30 o 36.99621 3.817222  -12.30523      7.634444 
1 1 1 0   12 31 o 16.87148 6.598440  ?              ?        
1 1 1 0   12 32 o 24.14320 5.089890  5.282928       10.17978 
1 1 1 0   12 33 o 13.17456 3.964275  -8.235675      7.928551 
1 1 1 0   13 1  o 65.00616 4.411403  ?              ?        
1 1 1 0   13 2  o 73.12455 4.456920  ?              ?        
1 1 1 0   13 3  o 210.9140 5.105746  ?              ?        
1 1 1 0   13 4  f 189.3816 4.941024  ?              ?        
1 1 1 0   13 5  o 205.0581 3.645668  13.37936       7.291336 
1 1 1 0   13 6  o 87.42098 3.320320  4.151321       6.640639 
1 1 1 0   13 7  o 213.4450 3.751425  3.971802       7.502851 
1 1 1 0   13 8  o 200.8397 3.632065  1.562515       7.264130 
1 1 1 0   13 9  o 202.2010 3.666020  3.313187       7.332039 
1 1 1 0   13 10 o 55.35811 4.260853  10.36450       8.521707 
1 1 1 0   13 11 o 249.1517 4.256567  2.531876       8.513133 
1 1 1 0   13 12 o 25.30047 8.507938  ?              ?        
1 1 1 0   13 13 o 76.78009 5.003460  ?              ?        
1 1 1 0   13 14 o 136.2009 2.925130  -8.532455      5.850260 
1 1 1 0   13 15 f 107.9501 2.852756  -14.75739      5.705513 
1 1 1 0   13 16 o 138.8027 3.323270  ?              ?        
1 1 1 0   13 17 f 114.3670 2.920237  11.79675       5.840475 
1 1 1 0   13 18 o 135.3707 3.006347  8.365967       6.012693 
1 1 1 0   13 19 o 105.3522 3.425414  1.902275       6.850829 
1 1 1 0   13 20 o 59.65614 3.611142  15.35059       7.222284 
1 1 1 0   13 21 o 85.49808 3.404630  0.2578964      6.809261 
1 1 1 0   13 22 o 72.39110 3.639831  3.084145       7.279661 
1 1 1 0   13 23 o 114.4762 3.314929  -0.1821289     6.629858 
1 1 1 0   13 24 o 100.4160 3.436698  -0.9947968E-01 6.873397 
1 1 1 0   13 25 o 102.8004 3.609133  5.705696       7.218266 
1 1 1 0   13 26 o 127.0093 3.265285  3.292976       6.530570 
1 1 1 0   13 27 o 18.81972 6.376560  ?              ?        
1 1 1 0   13 28 o 41.74047 4.558911  -12.67330      9.117823 
1 1 1 0   13 29 o 12.21517 3.983431  3.873941       7.966862 
1 1 1 0   13 30 o 14.45209 4.380630  0.7746677      8.761261 
1 1 1 0   13 31 o 14.47701 4.075579  -5.131944      8.151158 
1 1 1 0   13 32 o 18.90839 4.631870  0.5116272E-01  9.263740 
1 1 1 0   14 0  o 194.8301 5.103212  ?              ?        
1 1 1 0   14 1  o 259.1821 5.860002  ?              ?        
1 1 1 0   14 2  o 247.9005 5.847051  ?              ?        
1 1 1 0   14 3  o 41.98994 6.849952  ?              ?        
1 1 1 0   14 4  o 178.0367 4.968348  ?              ?        
1 1 1 0   14 5  o 155.7328 4.832929  ?              ?        
1 1 1 0   14 6  o 95.80042 3.299278  4.425804       6.598556 
1 1 1 0   14 7  o 299.0722 4.660368  1.531219       9.320737 
1 1 1 0   14 8  o 52.67770 6.235001  ?              ?        
1 1 1 0   14 9  o 149.1775 4.844043  ?              ?        
1 1 1 0   14 10 o 176.0548 3.603700  4.990662       7.207401 
1 1 1 0   14 11 o 150.1943 4.892677  ?              ?        
1 1 1 0   14 12 o 216.6393 3.943074  1.509338       7.886147 
1 1 1 0   14 13 f 80.83998 4.707765  ?              ?        
1 1 1 0   14 14 o 155.7120 3.196829  5.584686       6.393657 
1 1 1 0   14 15 o 159.8791 3.053505  -2.736313      6.107010 
1 1 1 0   14 16 o 177.6684 3.662263  9.435104       7.324526 
1 1 1 0   14 17 o 108.0780 3.461005  -8.991280      6.922009 
1 1 1 0   14 18 o 18.11075 5.358447  5.369123       10.71689 
1 1 1 0   14 19 o 21.98061 5.720041  4.849762       11.44008 
1 1 1 0   14 20 o 70.26902 3.773066  -14.13176      7.546131 
1 1 1 0   14 21 o 161.4455 3.359416  1.125320       6.718833 
1 1 1 0   14 22 o 106.2016 3.402042  3.877373       6.804085 
1 1 1 0   14 23 o 51.04067 5.186052  -5.913395      10.37210 
1 1 1 0   14 24 o 39.61138 5.084205  10.87703       10.16841 
1 1 1 0   14 25 o 60.56906 4.689779  -5.419132      9.379558 
1 1 1 0   14 26 o 66.99864 3.344612  ?              ?        
1 1 1 0   14 27 o 33.34010 5.102014  -11.92322      10.20403 
1 1 1 0   14 28 o 17.08350 4.561915  -5.148514      9.123831 
1 1 1 0   14 29 o 40.24583 4.399662  -6.712894      8.799323 
1 1 1 0   14 30 o 13.10963 4.002628  -4.157250      8.005257 
1 1 1 0   14 31 o 15.55977 4.107661  -8.256861      8.215322 
1 1 1 0   15 1  x ?        ?         ?              ?        
1 1 1 0   15 2  o 45.25190 6.890018  ?              ?        
1 1 1 0   15 3  x ?        ?         ?              ?        
1 1 1 0   15 4  x ?        ?         ?              ?        
1 1 1 0   15 5  o 127.3557 4.750802  ?              ?        
1 1 1 0   15 6  o 120.4698 4.865705  ?              ?        
1 1 1 0   15 7  o 146.9281 3.407058  1.981049       6.814115 
1 1 1 0   15 8  o 173.2691 3.528786  -2.368057      7.057573 
1 1 1 0   15 9  o 104.9890 4.722438  ?              ?        
1 1 1 0   15 10 o 86.51595 4.827252  ?              ?        
1 1 1 0   15 11 o 92.19640 5.142467  ?              ?        
1 1 1 0   15 12 o 107.5754 3.376453  5.198570       6.752906 
1 1 1 0   15 13 o 37.48077 5.259022  -3.925728      10.51804 
1 1 1 0   15 14 o 107.3652 3.377707  5.624146       6.755414 
1 1 1 0   15 15 o 148.1205 3.135652  3.509933       6.271304 
1 1 1 0   15 16 o 141.0471 3.121660  -8.398636      6.243321 
1 1 1 0   15 17 o 47.75990 3.963166  1.262344       7.926331 
1 1 1 0   15 18 o 45.32976 4.406303  1.724506       8.812607 
1 1 1 0   15 19 o 85.76264 3.477793  9.590225       6.955585 
1 1 1 0   15 20 o 69.60480 3.922645  -15.17850      7.845290 
1 1 1 0   15 21 f 90.86042 4.054830  -1.711548      8.109660 
1 1 1 0   15 22 o 127.1449 3.477738  2.300972       6.955477 
1 1 1 0   15 23 o 83.31320 3.598431  -5.749817      7.196861 
1 1 1 0   15 24 o 80.91434 3.591460  ?              ?        
1 1 1 0   15 25 o 50.30352 4.699037  -14.43451      9.398074 
1 1 1 0   15 26 o 37.14590 4.606307  -16.42380      9.212613 
1 1 1 0   15 27 o 37.74316 5.393697  -8.300240      10.78739 
1 1 1 0   15 28 o 56.92410 3.389910  -21.72709      6.779819 
1 1 1 0   15 29 o 15.56383 4.325307  -5.164217      8.650615 
1 1 1 0   15 30 o 21.60536 4.248555  -11.75251      8.497110 
1 1 1 0   15 31 o 14.13682 4.331361  3.319921       8.662723 
1 1 1 0   16 0  o 339.4125 7.258428  ?              ?        
1 1 1 0   16 1  o 64.50043 4.893450  ?              ?        
1 1 1 0   16 2  o 144.5893 3.396374  ?              ?        
1 1 1 0   16 3  o 24.54091 8.611034  ?              ?        
1 1 1 0   16 4  o 134.2040 4.677198  ?              ?        
1 1 1 0   16 5  f 96.90449 4.744678  ?              ?        
1 1 1 0   16 6  o 142.0140 4.769671  ?              ?        
1 1 1 0   16 7  o 72.48708 4.940744  ?              ?        
1 1 1 0   16 8  o 163.8481 3.512319  -4.470230      7.024637 
1 1 1 0   16 9  o 118.6996 3.342469  -4.700386      6.684938 
1 1 1 0   16 10 o 56.47360 3.954441  -1.492870      7.908883 
1 1 1 0   16 11 x ?        ?         ?              ?        
1 1 1 0   16 12 o 20.97941 5.605665  0.5849686      11.21133 
1 1 1 0   16 13 o 54.07113 4.060619  2.937855       8.121239 
1 1 1 0   16 14 o 50.86519 4.440968  -6.865318      8.881935 
1 1 1 0   16 15 o 157.6747 3.198022  0.5205994      6.396043 
1 1 1 0   16 16 o 67.91998 3.430910  -4.152527      6.861820 
1 1 1 0   16 17 f 35.62630 5.329577  7.695051       10.65915 
1 1 1 0   16 18 o 44.00748 5.092331  -4.199562      10.18466 
1 1 1 0   16 19 o 64.98269 4.792166  -4.495804      9.584332 
1 1 1 0   16 20 o 58.98293 4.425361  -9.116329      8.850722 
1 1 1 0   16 21 o 97.46825 3.541452  -9.410324      7.082905 
1 1 1 0   16 22 o 107.2904 3.725950  ?              ?        
1 1 1 0   16 23 o 71.25052 3.749958  -3.050224      7.499915 
1 1 1 0   16 24 o 81.61475 3.463197  -7.796982      6.926393 
1 1 1 0   16 25 o 57.77221 3.630000  -9.805233      7.259999 
1 1 1 0   16 26 o 34.01948 5.558942  -5.740067      11.11788 
1 1 1 0   16 27 o 65.35885 3.427190  ?              ?        
1 1 1 0   16 28 o 20.31701 4.300689  -7.608973      8.601378 
1 1 1 0   16 29 o 35.94639 3.947600  -14.23635      7.895200 
1 1 1 0   16 30 o 25.74191 5.170748  -3.068373      10.34150 
1 1 1 0   17 1  o 74.06914 4.796267  ?              ?        
1 1 1 0   17 2  o 54.15848 5.121051  ?              ?        
1 1 1 0   17 3  o 165.1810 3.496782  ?              ?        
1 1 1 0   17 4  o 256.6151 6.086313  ?              ?        
1 1 1 0   17 5  o 49.24531 5.625612  ?              ?        
1 1 1 0   17 6  o 15.95068 7.116960  ?              ?        
1 1 1 0   17 7  o 136.2660 4.804012  ?              ?        
1 1 1 0   17 8  o 40.78509 6.380798  ?              ?        
1 1 1 0   17 9  o 84.30154 3.532872  -10.74334      7.065743 
1 1 1 0   17 10 o 121.2212 3.409747  -2.692780      6.819495 
1 1 1 0   17 11 x ?        ?         ?              ?        
1 1 1 0   17 12 o 37.50851 5.346662  -0.5041122     10.69332 
1 1 1 0   17 13 o 113.1071 3.563193  3.214432       7.126386 
1 1 1 0   17 14 o 93.43677 3.649581  -3.276863      7.299162 
1 1 1 0   17 15 o 132.0269 3.677129  -3.349213      7.354258 
1 1 1 0   17 16 o 91.31880 4.108572  -0.6857681     8.217143 
1 1 1 0   17 17 o 156.8031 3.401297  -11.90512      6.802594 
1 1 1 0   17 18 o 70.11533 3.863336  -2.095764      7.726672 
1 1 1 0   17 19 o 35.19230 7.158387  ?              ?        
1 1 1 0   17 20 o 79.33177 4.133647  ?              ?        
1 1 1 0   17 21 o 33.62648 5.217970  -24.73004      10.43594 
1 1 1 0   17 22 o 74.12810 3.774392  4.990883       7.548785 
1 1 1 0   17 23 o 131.2981 3.830983  1.648346       7.661965 
1 1 1 0   17 24 f 23.41916 5.529565  4.712431       11.05913 
1 1 1 0   17 25 o 75.30360 3.212679  -14.80185      6.425357 
1 1 1 0   17 26 o 45.44491 3.847081  1.584812       7.694161 
1 1 1 0   17 27 o 20.12870 7.310745  ?              ?        
1 1 1 0   17 28 o 15.98191 4.529307  2.242121       9.058615 
1 1 1 0   17 29 o 31.89284 3.984346  -1.894489      7.968692 
1 1 1 0   18 0  o 121.3626 4.664459  ?              ?        
1 1 1 0   18 1  x ?        ?         ?              ?        
1 1 1 0   18 2  o 127.6407 4.659001  ?              ?        
1 1 1 0   18 3  o 69.02985 3.537886  ?              ?        
1 1 1 0   18 4  o 24.92996 6.317304  ?              ?        
1 1 1 0   18 5  o 21.96267 8.097110  ?              ?        
1 1 1 0   18 6  o 104.3218 4.859718  ?              ?        
1 1 1 0   18 7  o 109.4238 4.931035  ?              ?        
1 1 1 0   18 8  o 53.81752 6.087447  ?              ?        
1 1 1 0   18 9  o 38.06491 7.965343  ?              ?        
1 1 1 0   18 10 o 91.41096 3.644778  9.723969       7.289556 
1 1 1 0   18 11 x ?        ?         ?              ?        
1 1 1 0   18 12 o 68.98382 4.071233  -10.92453      8.142467 
1 1 1 0   18 13 o 31.77617 8.325778  ?              ?        
1 1 1 0   18 14 o 82.16307 3.994756  -6.290016      7.989512 
1 1 1 0   18 15 o 176.8535 3.999819  -8.873016      7.999638 
1 1 1 0   18 16 o 111.3938 3.523862  -14.92737      7.047724 
1 1 1 0   18 17 o 177.1627 4.141514  ?              ?        
1 1 1 0   18 18 o 20.44524 8.668167  ?              ?        
1 1 1 0   18 19 o 62.30888 4.323995  20.21712       8.647990 
1 1 1 0   18 20 o 113.4089 3.544266  -17.99123      7.088531 
1 1 1 0   18 21 o 30.10699 6.983801  -0.9570808     13.96760 
1 1 1 0   18 22 o 36.04840 5.174181  -0.6553497     10.34836 
1 1 1 0   18 23 o 25.09937 4.260942  -22.01204      8.521884 
1 1 1 0   18 24 o 79.41321 3.330777  4.687660       6.661554 
1 1 1 0   18 25 o 33.28051 4.453420  -9.494781      8.906839 
1 1 1 0   18 26 o 17.33352 4.693208  1.843798       9.386415 
1 1 1 0   18 27 o 12.44801 5.849628  ?              ?        
1 1 1 0   18 28 o 17.91146 4.395396  -6.560876      8.790792 
1 1 1 0   19 1  o 64.49716 3.653782  ?              ?        
1 1 1 0   19 2  o 162.9002 5.122119  ?              ?        
1 1 1 0   19 3  o 62.35811 3.596966  ?              ?        
1 1 1 0   19 4  o 104.1761 3.485569  ?              ?        
1 1 1 0   19 5  o 135.1212 5.050260  ?              ?        
1 1 1 0   19 6  o 71.69706 5.596874  ?              ?        
1 1 1 0   19 7  o 135.1595 5.205988  ?              ?        
1 1 1 0   19 8  x ?        ?         ?              ?        
1 1 1 0   19 9  x ?        ?         ?              ?        
1 1 1 0   19 10 o 37.55847 8.626886  ?              ?        
1 1 1 0   19 11 x ?        ?         ?              ?        
1 1 1 0   19 12 o 126.0843 3.761768  2.725868       7.523536 
1 1 1 0   19 13 f 83.32574 5.773151  ?              ?        
1 1 1 0   19 14 f 81.39073 6.088949  ?              ?        
1 1 1 0   19 15 o 164.7795 4.038591  -6.220505      8.077183 
1 1 1 0   19 16 o 55.19653 5.751028  -30.77163      11.50206 
1 1 1 0   19 17 o 41.57181 6.177254  -32.66933      12.35451 
1 1 1 0   19 18 o 37.98956 6.677699  -18.54015      13.35540 
1 1 1 0   19 19 o 31.76540 6.358501  -2.705397      12.71700 
1 1 1 0   19 20 o 74.51857 3.774915  4.515114       7.549830 
1 1 1 0   19 21 o 54.45297 4.056517  4.993649       8.113034 
1 1 1 0   19 22 o 24.93418 5.423034  -3.699169      10.84607 
1 1 1 0   19 23 o 34.77717 4.654310  -18.49467      9.308619 
1 1 1 0   19 24 f 22.24220 7.583709  ?              ?        
1 1 1 0   19 25 f 21.07652 4.640806  7.631449       9.281611 
1 1 1 0   19 26 o 30.80052 4.167092  -21.68767      8.334184 
1 1 1 0   19 27 o 17.85189 4.992664  -2.835257      9.985329 
1 1 1 0   19 28 o 13.69691 3.985086  -6.145164      7.970173 
1 1 1 0   20 0  x ?        ?         ?              ?        
1 1 1 0   20 1  x ?        ?         ?              ?        
1 1 1 0   20 2  x ?        ?         ?              ?        
1 1 1 0   20 3  o 19.60523 8.085684  ?              ?        
1 1 1 0   20 4  o 134.3011 5.261864  ?              ?        
1 1 1 0   20 5  o 27.80620 8.950062  ?              ?        
1 1 1 0   20 6  o 113.9757 5.174894  ?              ?        
1 1 1 0   20 7  o 91.25349 5.316280  ?              ?        
1 1 1 0   20 8  o 51.93884 7.060944  ?              ?        
1 1 1 0   20 9  o 86.59110 5.715233  ?              ?        
1 1 1 0   20 10 o 62.24921 6.862962  ?              ?        
1 1 1 0   20 11 x ?        ?         ?              ?        
1 1 1 0   20 12 o 94.03059 4.005418  5.681511       8.010837 
1 1 1 0   20 13 o 98.51514 4.071393  -2.602058      8.142785 
1 1 1 0   20 14 o 99.77558 4.200663  16.79134       8.401325 
1 1 1 0   20 15 o 78.75273 4.473932  -15.32409      8.947865 
1 1 1 0   20 16 o 42.34074 6.459171  8.385239       12.91834 
1 1 1 0   20 17 o 107.4176 3.599026  -1.595695      7.198051 
1 1 1 0   20 18 o 32.47143 6.135873  5.853451       12.27175 
1 1 1 0   20 19 o 24.64382 5.507020  22.35117       11.01404 
1 1 1 0   20 20 o 48.10466 4.305820  3.834038       8.611640 
1 1 1 0   20 21 o 65.57510 4.123936  -3.094543      8.247872 
1 1 1 0   20 22 o 57.41140 4.081763  -8.656837      8.163527 
1 1 1 0   20 23 o 23.84065 5.226000  4.631207       10.45200 
1 1 1 0   20 24 o 28.99544 5.214350  ?              ?        
1 1 1 0   20 25 o 66.68194 4.599645  ?              ?        
1 1 1 0   20 26 o 26.53919 3.800168  -22.46848      7.600336 
1 1 1 0   20 27 o 10.98013 3.645324  4.417059       7.290648 
1 1 1 0   21 1  x ?        ?         ?              ?        
1 1 1 0   21 2  o 9.352563 4.469542  ?              ?        
1 1 1 0   21 3  o 76.95953 5.377689  ?              ?        
1 1 1 0   21 4  o 34.75211 6.237977  ?              ?        
1 1 1 0   21 5  o 91.67538 3.714694  ?              ?        
1 1 1 0   21 6  o 77.29727 4.088572  ?              ?        
1 1 1 0   21 7  o 87.82886 5.756394  ?              ?        
1 1 1 0   21 8  o 63.46590 6.609684  ?              ?        
1 1 1 0   21 9  o 53.02767 7.571746  ?              ?        
1 1 1 0   21 10 o 42.92239 9.408639  ?              ?        
1 1 1 0   21 11 x ?        ?         ?              ?        
1 1 1 0   21 12 o 17.16461 7.936943  ?              ?        
1 1 1 0   21 13 o 47.46088 6.132818  0.8935089      12.26564 
1 1 1 0   21 14 o 35.66849 7.029070  -1.659584      14.05814 
1 1 1 0   21 15 o 66.93649 4.712130  -8.591541      9.424260 
1 1 1 0   21 16 o 36.66266 6.471663  -9.913433      12.94333 
1 1 1 0   21 17 o 23.75748 6.141677  9.722788       12.28335 
1 1 1 0   21 18 o 21.52688 5.445681  -8.896732      10.89136 
1 1 1 0   21 19 o 27.15449 6.175931  -3.964567      12.35186 
1 1 1 0   21 20 o 59.80331 3.758641  2.027046       7.517281 
1 1 1 0   21 21 o 20.55617 4.682227  -9.264272      9.364453 
1 1 1 0   21 22 o 18.55103 6.257162  ?              ?        
1 1 1 0   21 23 o 28.62786 4.277327  -14.55458      8.554653 
1 1 1 0   21 24 o 32.32456 3.902212  1.111982       7.804425 
1 1 1 0   21 25 o 42.69965 3.510655  0.6332092      7.021310 
1 1 1 0   22 0  x ?        ?         ?              ?        
1 1 1 0   22 1  x ?        ?         ?              ?        
1 1 1 0   22 2  x ?        ?         ?              ?        
1 1 1 0   22 3  o 67.81814 6.142644  ?              ?        
1 1 1 0   22 4  o 18.28405 7.323308  ?              ?        
1 1 1 0   22 5  o 68.27721 4.274736  ?              ?        
1 1 1 0   22 6  o 60.34849 4.682159  ?              ?        
1 1 1 0   22 7  o 95.26247 6.002911  ?              ?        
1 1 1 0   22 8  o 75.82922 6.210259  ?              ?        
1 1 1 0   22 9  o 21.79664 8.855594  ?              ?        
1 1 1 0   22 10 o 79.96037 6.260677  ?              ?        
1 1 1 0   22 11 x ?        ?         ?              ?        
1 1 1 0   22 12 o 98.19258 5.998432  ?              ?        
1 1 1 0   22 13 o 59.38879 7.562813  ?              ?        
1 1 1 0   22 14 o 96.74223 4.103950  -4.550491      8.207899 
1 1 1 0   22 15 o 71.55499 6.253119  ?              ?        
1 1 1 0   22 16 o 27.98411 9.655307  ?              ?        
1 1 1 0   22 17 o 34.34314 6.134085  10.56933       12.26817 
1 1 1 0   22 18 o 26.44841 5.961160  11.15295       11.92232 
1 1 1 0   22 19 o 22.71160 6.819667  ?              ?        
1 1 1 0   22 20 o 38.06017 4.423196  -0.5587502     8.846393 
1 1 1 0   22 21 o 14.12898 3.975364  -6.371598      7.950727 
1 1 1 0   22 22 o 21.24253 4.021090  -12.29500      8.042180 
1 1 1 0   22 23 o 33.99570 4.409521  9.058552       8.819041 
1 1 1 0   22 24 o 18.03589 6.811419  ?              ?        
1 1 1 0   23 1  x ?        ?         ?              ?        
1 1 1 0   23 2  x ?        ?         ?              ?        
1 1 1 0   23 3  o 93.11528 6.064615  ?              ?        
1 1 1 0   23 4  o 63.52639 4.637858  ?              ?        
1 1 1 0   23 5  o 41.40680 6.317467  ?              ?        
1 1 1 0   23 6  o 62.05973 4.571956  ?              ?        
1 1 1 0   23 7  o 93.30077 4.226480  ?              ?        
1 1 1 0   23 8  o 35.90182 9.746200  ?              ?        
1 1 1 0   23 9  o 57.89224 7.181930  ?              ?        
1 1 1 0   23 10 o 28.28801 10.25154  ?              ?        
1 1 1 0   23 11 x ?        ?         ?              ?        
1 1 1 0   23 12 o 28.91890 10.44925  ?              ?        
1 1 1 0   23 13 o 25.90459 9.573963  ?              ?        
1 1 1 0   23 14 o 35.86695 9.304173  ?              ?        
1 1 1 0   23 15 o 47.38763 7.597721  ?              ?        
1 1 1 0   23 16 o 52.42655 6.984924  ?              ?        
1 1 1 0   23 17 o 25.05106 6.063864  1.016733       12.12773 
1 1 1 0   23 18 o 29.29026 5.185075  3.326645       10.37015 
1 1 1 0   23 19 o 15.70054 4.614947  2.478541       9.229894 
1 1 1 0   23 20 f 23.78793 4.878487  -16.45171      9.756974 
1 1 1 0   23 21 o 14.54022 4.278688  3.159011       8.557376 
1 1 1 0   23 22 o 24.32016 4.544933  4.261614       9.089866 
1 1 1 0   23 23 o 9.715699 3.327190  -2.472889      6.654381 
1 1 1 0   24 0  x ?        ?         ?              ?        
1 1 1 0   24 1  x ?        ?         ?              ?        
1 1 1 0   24 2  x ?        ?         ?              ?        
1 1 1 0   24 3  o 112.9492 5.790935  ?              ?        
1 1 1 0   24 4  o 90.58794 5.996355  ?              ?        
1 1 1 0   24 5  o 131.4453 5.687596  ?              ?        
1 1 1 0   24 6  o 59.76390 5.183303  ?              ?        
1 1 1 0   24 7  o 23.98594 8.140965  ?              ?        
1 1 1 0   24 8  o 80.15697 6.588576  ?              ?        
1 1 1 0   24 9  f 21.26243 8.655622  ?              ?        
1 1 1 0   24 10 o 36.85501 9.434870  ?              ?        
1 1 1 0   24 11 x ?        ?         ?              ?        
1 1 1 0   24 12 o 24.44269 9.299961  ?              ?        
1 1 1 0   24 13 o 50.36239 7.093482  ?              ?        
1 1 1 0   24 14 o 18.72008 7.955034  ?              ?        
1 1 1 0   24 15 o 56.43698 5.612396  ?              ?        
1 1 1 0   24 16 o 39.82506 6.424800  ?              ?        
1 1 1 0   24 17 o 12.98894 4.158102  -0.2674246     8.316203 
1 1 1 0   24 18 o 26.66299 5.315734  -11.61149      10.63147 
1 1 1 0   24 19 o 20.57815 4.786424  -4.075321      9.572847 
1 1 1 0   24 20 o 16.55436 4.429084  12.72560       8.858168 
1 1 1 0   24 21 o 17.17518 4.502930  9.756385       9.005859 
1 1 1 0   25 1  x ?        ?         ?              ?        
1 1 1 0   25 2  x ?        ?         ?              ?        
1 1 1 0   25 3  f 47.63819 7.867098  ?              ?        
1 1 1 0   25 4  o 33.95222 9.861158  ?              ?        
1 1 1 0   25 5  o 22.36453 7.635777  ?              ?        
1 1 1 0   25 6  o 49.05456 5.224961  ?              ?        
1 1 1 0   25 7  o 22.92411 7.404697  ?              ?        
1 1 1 0   25 8  o 18.49479 7.354517  ?              ?        
1 1 1 0   25 9  o 17.71773 7.102071  ?              ?        
1 1 1 0   25 10 o 58.63820 6.460721  ?              ?        
1 1 1 0   25 11 x ?        ?         ?              ?        
1 1 1 0   25 12 o 19.44771 8.079724  ?              ?        
1 1 1 0   25 13 o 34.70743 6.620217  ?              ?        
1 1 1 0   25 14 o 36.63435 6.060791  ?              ?        
1 1 1 0   25 15 o 28.41079 6.761577  ?              ?        
1 1 1 0   25 16 o 15.00462 6.462228  ?              ?        
1 1 1 0   25 17 o 17.06946 6.770981  ?              ?        
1 1 1 0   25 18 o 23.86769 7.222877  ?              ?        
1 1 1 0   25 19 o 14.82696 4.403471  4.499933       8.806941 
1 1 1 0   25 20 o 26.70863 5.173376  11.84011       10.34675 
1 1 1 0   26 0  x ?        ?         ?              ?        
1 1 1 0   26 1  x ?        ?         ?              ?        
1 1 1 0   26 2  x ?        ?         ?              ?        
1 1 1 0   26 3  o 77.92280 6.027357  ?              ?        
1 1 1 0   26 4  o 52.47203 6.732546  ?              ?        
1 1 1 0   26 5  o 46.70753 4.831563  ?              ?        
1 1 1 0   26 6  o 20.87948 6.928617  ?              ?        
1 1 1 0   26 7  x ?        ?         ?              ?        
1 1 1 0   26 8  o 50.99424 4.871957  ?              ?        
1 1 1 0   26 9  o 19.86479 6.992718  ?              ?        
1 1 1 0   26 10 o 44.07420 4.220826  ?              ?        
1 1 1 0   26 11 x ?        ?         ?              ?        
1 1 1 0   26 12 o 22.25173 7.353531  ?              ?        
1 1 1 0   26 13 o 18.24864 6.929327  ?              ?        
1 1 1 0   26 14 o 35.45199 5.256251  ?              ?        
1 1 1 0   26 15 x ?        ?         ?              ?        
1 1 1 0   26 16 x ?        ?         ?              ?        
1 1 1 0   26 17 x ?        ?         ?              ?        
1 1 1 0   26 18 x ?        ?         ?              ?        
1 1 1 0   27 1  x ?        ?         ?              ?        
1 1 1 0   27 2  o 71.89272 6.202612  ?              ?        
1 1 1 0   27 3  o 23.44718 8.097328  ?              ?        
1 1 1 0   27 4  o 21.33101 7.552137  ?              ?        
1 1 1 0   27 5  f 44.83205 4.656101  ?              ?        
1 1 1 0   27 6  o 17.96202 7.546499  ?              ?        
1 1 1 0   27 7  o 40.90221 4.545789  ?              ?        
1 1 1 0   27 8  o 22.19293 6.265181  ?              ?        
1 1 1 0   27 9  o 47.45377 3.866131  ?              ?        
1 1 1 0   27 10 o 11.11818 5.233400  ?              ?        
1 1 1 0   27 11 o 19.85548 7.272599  ?              ?        
1 1 1 0   27 12 x ?        ?         ?              ?        
1 1 1 0   27 13 x ?        ?         ?              ?        
1 1 1 0   27 14 x ?        ?         ?              ?        
1 1 1 0   27 15 x ?        ?         ?              ?        
1 1 1 0   27 16 x ?        ?         ?              ?        
1 1 1 0   28 0  x ?        ?         ?              ?        
1 1 1 0   28 1  x ?        ?         ?              ?        
1 1 1 0   28 2  o 49.02991 5.025162  ?              ?        
1 1 1 0   28 3  o 10.59803 5.073276  ?              ?        
1 1 1 0   28 4  f 15.21100 6.272287  ?              ?        
1 1 1 0   28 5  x ?        ?         ?              ?        
1 1 1 0   28 6  x ?        ?         ?              ?        
1 1 1 0   28 7  x ?        ?         ?              ?        
1 1 1 0   28 8  x ?        ?         ?              ?        
1 1 1 0   28 9  x ?        ?         ?              ?        
1 1 1 0   28 10 x ?        ?         ?              ?        
1 1 1 0   28 11 x ?        ?         ?              ?        
1 1 1 0   28 12 x ?        ?         ?              ?        
1 1 1 0   28 13 x ?        ?         ?              ?        
1 1 1 0   29 1  x ?        ?         ?              ?        
1 1 1 0   29 2  x ?        ?         ?              ?        
1 1 1 0   29 3  x ?        ?         ?              ?        
1 1 1 0   29 4  x ?        ?         ?              ?        
1 1 1 0   29 5  x ?        ?         ?              ?        
1 1 1 0   29 6  x ?        ?         ?              ?        
1 1 1 0   29 7  x ?        ?         ?              ?        
1 1 1 0   29 8  x ?        ?         ?              ?        
1 1 1 0   29 9  x ?        ?         ?              ?        
1 1 1 0   29 10 x ?        ?         ?              ?        
1 1 1 0   30 0  x ?        ?         ?              ?        
1 1 1 0   30 1  x ?        ?         ?              ?        
1 1 1 0   30 2  x ?        ?         ?              ?        
1 1 1 0   30 3  x ?        ?         ?              ?        
1 1 1 0   30 4  x ?        ?         ?              ?        
1 1 1 1   0  1  o 218.4498 4.190974  -0.000000      0.000000 
1 1 1 1   0  2  o 231.6062 4.377759  -0.000000      0.000000 
1 1 1 1   0  3  o 200.7513 2.702657  -0.000000      0.000000 
1 1 1 1   0  4  x ?        ?         ?              ?        
1 1 1 1   0  5  o 274.7679 3.676973  -0.000000      0.000000 
1 1 1 1   0  6  o 154.2724 2.153367  -0.000000      0.000000 
1 1 1 1   0  7  o 8.342365 3.100777  -0.000000      0.000000 
1 1 1 1   0  8  o 347.0262 4.644882  -0.000000      0.000000 
1 1 1 1   0  9  o 123.5734 1.856237  -0.000000      0.000000 
1 1 1 1   0  10 f 167.0779 3.494514  -0.000000      0.000000 
1 1 1 1   0  11 o 30.38899 1.501378  -0.000000      0.000000 
1 1 1 1   0  12 o 175.6536 3.448040  -0.000000      0.000000 
1 1 1 1   0  13 o 119.3663 1.903393  -0.000000      0.000000 
1 1 1 1   0  14 o 170.6310 2.491892  -0.000000      0.000000 
1 1 1 1   0  15 f 184.0623 2.681988  -0.000000      0.000000 
1 1 1 1   0  16 o 504.5457 6.762369  -0.000000      0.000000 
1 1 1 1   0  17 f 163.4534 2.538166  -0.000000      0.000000 
1 1 1 1   0  18 o 381.6736 5.212591  -0.000000      0.000000 
1 1 1 1   0  19 o 159.1970 3.862462  -0.000000      0.000000 
1 1 1 1   0  20 o 68.12110 1.994187  -0.000000      0.000000 
1 1 1 1   0  21 o 223.1842 3.310235  -0.000000      0.000000 
1 1 1 1   0  22 o 150.0017 2.580755  -0.000000      0.000000 
1 1 1 1   0  23 o 293.8218 4.220295  -0.000000      0.000000 
1 1 1 1   0  24 o 60.44890 2.378142  -0.000000      0.000000 
1 1 1 1   0  25 o 5.904343 4.214264  -0.000000      0.000000 
1 1 1 1   0  26 x ?        ?         ?              ?        
1 1 1 1   0  27 o 75.39455 2.752784  -0.000000      0.000000 
1 1 1 1   0  28 o 125.9221 4.556669  -0.000000      0.000000 
1 1 1 1   0  29 o 8.519597 5.710861  -0.000000      0.000000 
1 1 1 1   0  30 o 31.21480 7.079705  -0.000000      0.000000 
1 1 1 1   0  31 o 5.540137 4.071106  -0.000000      0.000000 
1 1 1 1   0  32 o 56.34977 3.281032  -0.000000      0.000000 
1 1 1 1   0  33 o 7.563409 5.129783  -0.000000      0.000000 
1 1 1 1   0  34 o 18.12021 6.886518  -0.000000      0.000000 
1 1 1 1   0  35 o 9.478724 5.883756  -0.000000      0.000000 
1 1 1 1   1  0  o 393.7169 5.288338  10.74399       10.57668 
1 1 1 1   1  1  x ?        ?         ?              ?        
1 1 1 1   1  2  o 179.9714 2.480769  11.62669       4.961538 
1 1 1 1   1  3  x ?        ?         ?              ?        
1 1 1 1   1  4  o 244.6313 2.347813  2.879700       4.695625 
1 1 1 1   1  5  o 276.3082 2.665360  -27.64731      5.330721 
1 1 1 1   1  6  o 307.1633 4.151052  ?              ?        
1 1 1 1   1  7  o 218.5118 3.039110  ?              ?        
1 1 1 1   1  8  o 224.8684 2.197574  -9.727509      4.395148 
1 1 1 1   1  9  o 107.7630 1.437698  -0.1100082     2.875396 
1 1 1 1   1  10 o 170.4391 2.170895  -4.799637      4.341790 
1 1 1 1   1  11 o 208.9540 2.997243  ?              ?        
1 1 1 1   1  12 o 218.8734 3.036880  -1.551666      6.073760 
1 1 1 1   1  13 o 204.5127 2.065338  1.667130       4.130677 
1 1 1 1   1  14 o 243.1421 2.408665  -1.403503      4.817330 
1 1 1 1   1  15 o 326.4443 3.155444  11.84073       6.310888 
1 1 1 1   1  16 o 141.8910 1.621543  -4.239365      3.243085 
1 1 1 1   1  17 o 226.9736 2.306188  -0.6648254E-01 4.612376 
1 1 1 1   1  18 o 124.7537 1.564035  3.268478       3.128071 
1 1 1 1   1  19 o 290.4282 4.173186  -1.326569      8.346373 
1 1 1 1   1  20 o 208.7267 2.203641  2.444977       4.407281 
1 1 1 1   1  21 o 69.96848 1.690477  -2.132889      3.380955 
1 1 1 1   1  22 o 134.2625 1.726355  1.411667       3.452710 
1 1 1 1   1  23 o 94.27464 1.592097  -6.501640      3.184193 
1 1 1 1   1  24 o 58.91942 1.699177  3.237011       3.398354 
1 1 1 1   1  25 o 93.12326 1.728058  2.224449       3.456116 
1 1 1 1   1  26 o 12.70473 5.395883  ?              ?        
1 1 1 1   1  27 o 188.0283 2.305171  2.988312       4.610343 
1 1 1 1   1  28 o 86.16008 3.234474  6.770836       6.468947 
1 1 1 1   1  29 o 63.81196 3.310176  ?              ?        
1 1 1 1   1  30 o 79.54703 2.468047  1.952660       4.936093 
1 1 1 1   1  31 o 40.04405 3.490237  ?              ?        
1 1 1 1   1  32 o 59.61317 2.204197  -5.587830      4.408393 
1 1 1 1   1  33 o 18.84259 3.889248  3.132418       7.778496 
1 1 1 1   1  34 f 35.98367 2.579797  -4.697674      5.159593 
1 1 1 1   1  35 f 20.19193 3.889222  1.120792       7.778443 
1 1 1 1   2  0  o 200.6330 2.769677  4.501770       5.539353 
1 1 1 1   2  1  x ?        ?         ?              ?        
1 1 1 1   2  2  o 251.5691 3.426524  5.665878       6.853049 
1 1 1 1   2  3  o 102.9788 1.642834  4.683388       3.285668 
1 1 1 1   2  4  o 246.5468 2.849656  -17.08533      5.699311 
1 1 1 1   2  5  f 162.1334 1.688191  -2.502167      3.376382 
1 1 1 1   2  6  o 332.6651 3.206314  -26.83636      6.412629 
1 1 1 1   2  7  o 269.2003 2.639108  -17.89227      5.278215 
1 1 1 1   2  8  o 116.4953 1.388928  -14.97527      2.777856 
1 1 1 1   2  9  o 65.06860 1.615339  -3.413536      3.230678 
1 1 1 1   2  10 o 108.9724 1.352919  -11.29227      2.705838 
1 1 1 1   2  11 f 182.1206 2.373118  9.638519       4.746236 
1 1 1 1   2  12 o 87.87643 1.568002  0.7591553      3.136003 
1 1 1 1   2  13 o 259.3571 2.560550  -2.661743      5.121099 
1 1 1 1   2  14 o 333.9271 3.231310  9.027435       6.462620 
1 1 1 1   2  15 o 232.7003 2.349852  -8.087814      4.699705 
1 1 1 1   2  16 o 124.7764 2.389595  ?              ?        
1 1 1 1   2  17 o 111.8892 1.539141  -7.690666      3.078282 
1 1 1 1   2  18 o 158.4593 1.827089  -2.607010      3.654179 
1 1 1 1   2  19 o 17.66850 4.604259  0.7735100      9.208519 
1 1 1 1   2  20 o 157.2991 1.830862  0.2017059      3.661723 
1 1 1 1   2  21 o 90.16961 1.851248  -8.420731      3.702496 
1 1 1 1   2  22 o 55.53526 1.690256  -0.6502533     3.380513 
1 1 1 1   2  23 o 135.0337 1.796576  -5.408951      3.593152 
1 1 1 1   2  24 o 131.1510 1.806576  -5.660797      3.613152 
1 1 1 1   2  25 o 103.1641 1.753151  -0.1885300     3.506303 
1 1 1 1   2  26 o 119.5194 2.759418  12.49089       5.518835 
1 1 1 1   2  27 o 26.76780 3.833555  4.106695       7.667110 
1 1 1 1   2  28 o 20.45187 5.010198  -11.20127      10.02040 
1 1 1 1   2  29 o 96.60095 2.032796  -3.505821      4.065591 
1 1 1 1   2  30 o 59.22601 2.683801  4.474304       5.367603 
1 1 1 1   2  31 o 85.78961 2.058120  -5.073509      4.116241 
1 1 1 1   2  32 o 21.84283 4.045833  1.510149       8.091666 
1 1 1 1   2  33 o 14.46733 3.904098  0.8355494      7.808196 
1 1 1 1   2  34 o 37.91391 2.602871  -1.079571      5.205742 
1 1 1 1   2  35 o 38.20781 3.628434  ?              ?        
1 1 1 1   3  0  o 305.5521 4.142946  -5.680176      8.285892 
1 1 1 1   3  1  x ?        ?         ?              ?        
1 1 1 1   3  2  o 172.3451 2.474938  3.865555       4.949876 
1 1 1 1   3  3  o 279.2567 3.822148  1.586761       7.644297 
1 1 1 1   3  4  o 277.9077 3.819434  1.772675       7.638868 
1 1 1 1   3  5  o 360.9416 4.135543  -19.41086      8.271086 
1 1 1 1   3  6  o 141.6487 1.937555  -1.848541      3.875109 
1 1 1 1   3  7  o 444.4197 5.303511  -15.76996      10.60702 
1 1 1 1   3  8  o 17.30127 2.717864  -5.471612      5.435728 
1 1 1 1   3  9  o 36.26136 2.126536  0.2254791      4.253071 
1 1 1 1   3  10 o 66.13359 1.629663  -3.622589      3.259326 
1 1 1 1   3  11 o 96.96082 1.751724  -2.202873      3.503448 
1 1 1 1   3  12 o 101.4739 1.416191  -0.2867126     2.832381 
1 1 1 1   3  13 o 63.29589 1.356494  -1.989601      2.712987 
1 1 1 1   3  14 o 321.9713 3.157157  4.336975       6.314315 
1 1 1 1   3  15 o 151.6184 1.774333  -3.815125      3.548666 
1 1 1 1   3  16 o 268.2341 2.702528  -5.498016      5.405056 
1 1 1 1   3  17 o 10.38886 3.254231  2.835604       6.508462 
1 1 1 1   3  18 o 160.3181 2.181699  2.314560       4.363398 
1 1 1 1   3  19 o 111.3507 2.118158  -10.91324      4.236317 
1 1 1 1   3  20 o 157.5916 2.309856  -4.327316      4.619711 
1 1 1 1   3  21 o 61.82893 1.934977  -4.698887      3.869953 
1 1 1 1   3  22 o 49.93065 1.851669  -2.462296      3.703338 
1 1 1 1   3  23 o 86.89581 1.693660  0.7584915      3.387319 
1 1 1 1   3  24 o 66.27654 1.775865  -3.454460      3.551729 
1 1 1 1   3  25 o 74.50197 1.846246  -6.563301      3.692491 
1 1 1 1   3  26 o 98.92171 1.885990  -1.902496      3.771980 
1 1 1 1   3  27 o 120.3018 2.502362  1.066017       5.004724 
1 1 1 1   3  28 o 92.08970 2.887617  -2.797028      5.775235 
1 1 1 1   3  29 f 41.33359 3.064537  -6.635258      6.129073 
1 1 1 1   3  30 o 59.55434 2.627023  0.6227913      5.254046 
1 1 1 1   3  31 f 50.31911 2.484319  -9.390118      4.968638 
1 1 1 1   3  32 o 30.76000 3.177855  -4.535263      6.355711 
1 1 1 1   3  33 o 72.15638 3.019970  ?              ?        
1 1 1 1   3  34 o 47.30906 2.419251  -13.68474      4.838502 
1 1 1 1   3  35 o 35.25806 2.910204  -12.69788      5.820407 
1 1 1 1   4  0  f 227.8525 3.191364  -2.840302      6.382728 
1 1 1 1   4  1  x ?        ?         ?              ?        
1 1 1 1   4  2  o 347.2687 4.713198  -11.04190      9.426395 
1 1 1 1   4  3  o 199.7206 2.873397  -3.737259      5.746794 
1 1 1 1   4  4  f 328.0392 4.483884  -3.728760      8.967769 
1 1 1 1   4  5  o 126.5877 2.963042  ?              ?        
1 1 1 1   4  6  o 212.9573 2.722945  5.306946       5.445890 
1 1 1 1   4  7  o 177.4038 3.888055  ?              ?        
1 1 1 1   4  8  o 215.1273 2.719598  -12.06996      5.439195 
1 1 1 1   4  9  f 184.9465 2.894601  -8.966446      5.789202 
1 1 1 1   4  10 o 57.22284 2.865396  ?              ?        
1 1 1 1   4  11 o 141.1653 1.741345  3.864487       3.482690 
1 1 1 1   4  12 f 276.2912 2.799111  -7.031982      5.598222 
1 1 1 1   4  13 o 256.1679 2.629295  0.4274139      5.258590 
1 1 1 1   4  14 o 224.4282 2.372391  -3.270309      4.744781 
1 1 1 1   4  15 o 313.2968 3.130000  0.7815552E-01  6.259999 
1 1 1 1   4  16 o 141.3519 1.822994  8.694031       3.645988 
1 1 1 1   4  17 o 165.6066 2.220752  13.37552       4.441505 
1 1 1 1   4  18 o 140.1348 2.361914  -0.4901733     4.723828 
1 1 1 1   4  19 o 66.53294 1.712288  -5.207706      3.424577 
1 1 1 1   4  20 o 84.50995 1.689390  1.945076       3.378780 
1 1 1 1   4  21 o 57.22717 2.174479  -1.515347      4.348957 
1 1 1 1   4  22 o 158.5805 1.994274  -0.6161194     3.988547 
1 1 1 1   4  23 o 32.29158 2.794489  -2.799725      5.588977 
1 1 1 1   4  24 o 52.26871 2.126489  -2.842793      4.252979 
1 1 1 1   4  25 o 69.13605 1.972906  1.900833       3.945812 
1 1 1 1   4  26 o 144.4139 2.070559  0.2459869      4.141119 
1 1 1 1   4  27 o 87.06369 2.490145  -0.3520279     4.980289 
1 1 1 1   4  28 o 89.73095 2.931353  -1.478363      5.862705 
1 1 1 1   4  29 o 31.58683 4.672565  1.847565       9.345129 
1 1 1 1   4  30 o 99.50990 2.371252  -10.07396      4.742504 
1 1 1 1   4  31 o 40.61396 2.922204  -5.233772      5.844408 
1 1 1 1   4  32 o 24.48252 3.769487  -13.13211      7.538974 
1 1 1 1   4  33 o 29.65601 4.501333  ?              ?        
1 1 1 1   4  34 o 37.56908 2.699264  -17.19562      5.398528 
1 1 1 1   4  35 o 19.19775 4.477943  -0.5488567     8.955886 
1 1 1 1   5  0  x ?        ?         ?              ?        
1 1 1 1   5  1  x ?        ?         ?              ?        
1 1 1 1   5  2  o 287.3008 5.626316  ?              ?        
1 1 1 1   5  3  o 236.7812 3.373645  -13.55630      6.747289 
1 1 1 1   5  4  o 181.9314 2.738087  -6.506989      5.476173 
1 1 1 1   5  5  o 95.31168 1.912163  3.342102       3.824327 
1 1 1 1   5  6  o 122.1734 3.107718  ?              ?        
1 1 1 1   5  7  o 158.9578 3.670549  ?              ?        
1 1 1 1   5  8  o 127.3309 2.349857  1.305779       4.699713 
1 1 1 1   5  9  o 32.97178 4.057641  ?              ?        
1 1 1 1   5  10 o 397.4915 4.758659  -2.133698      9.517318 
1 1 1 1   5  11 o 366.6597 4.411080  -4.835236      8.822160 
1 1 1 1   5  12 o 124.0521 1.751065  0.4487762      3.502131 
1 1 1 1   5  13 o 265.4816 2.756565  -0.3148804     5.513129 
1 1 1 1   5  14 o 176.0704 2.080519  0.8421326E-01  4.161039 
1 1 1 1   5  15 o 211.1863 2.346794  -3.426102      4.693588 
1 1 1 1   5  16 o 303.2859 3.739160  -4.095093      7.478321 
1 1 1 1   5  17 o 142.9998 1.973890  4.341064       3.947779 
1 1 1 1   5  18 o 107.5377 1.797260  0.5186768      3.594519 
1 1 1 1   5  19 o 180.9793 2.735814  7.543335       5.471627 
1 1 1 1   5  20 o 161.0317 2.514235  -3.471130      5.028471 
1 1 1 1   5  21 o 47.55049 2.074615  0.7836761      4.149229 
1 1 1 1   5  22 o 124.3518 1.850261  1.136543       3.700523 
1 1 1 1   5  23 o 124.4226 1.872069  -3.652908      3.744138 
1 1 1 1   5  24 f 14.13655 3.963685  3.185668       7.927370 
1 1 1 1   5  25 o 132.0987 2.014471  3.734192       4.028941 
1 1 1 1   5  26 o 119.0939 2.332994  5.075203       4.665987 
1 1 1 1   5  27 o 91.40564 2.894252  -3.600060      5.788504 
1 1 1 1   5  28 o 40.30733 4.432150  -5.270958      8.864300 
1 1 1 1   5  29 o 63.95829 2.535196  -8.972729      5.070391 
1 1 1 1   5  30 o 31.67326 4.137922  -7.163233      8.275844 
1 1 1 1   5  31 o 46.44057 2.700377  -10.84398      5.400753 
1 1 1 1   5  32 o 52.06567 2.355941  -13.91489      4.711882 
1 1 1 1   5  33 o 19.33134 4.251938  3.028305       8.503876 
1 1 1 1   5  34 o 20.61930 4.223488  -7.471140      8.446976 
1 1 1 1   5  35 o 11.09155 3.579410  -2.961974      7.158821 
1 1 1 1   6  0  o 147.4510 3.332918  ?              ?        
1 1 1 1   6  1  x ?        ?         ?              ?        
1 1 1 1   6  2  o 207.4849 4.312230  ?              ?        
1 1 1 1   6  3  o 48.60293 2.489744  ?              ?        
1 1 1 1   6  4  o 94.71259 2.009085  -16.79184      4.018170 
1 1 1 1   6  5  o 35.47520 2.180718  -0.5757790     4.361436 
1 1 1 1   6  6  o 264.4879 3.841532  14.11871       7.683065 
1 1 1 1   6  7  o 125.8534 2.353669  4.062897       4.707338 
1 1 1 1   6  8  o 340.0952 4.789644  -4.778015      9.579288 
1 1 1 1   6  9  o 272.7177 3.996652  ?              ?        
1 1 1 1   6  10 o 378.6282 4.601795  0.8968811      9.203589 
1 1 1 1   6  11 f 81.19179 2.054428  -2.265770      4.108856 
1 1 1 1   6  12 o 33.49979 5.308644  ?              ?        
1 1 1 1   6  13 o 335.8422 4.167470  1.756866       8.334939 
1 1 1 1   6  14 o 393.1437 4.726041  -11.68405      9.452083 
1 1 1 1   6  15 o 79.91263 2.202817  2.595711       4.405633 
1 1 1 1   6  16 o 247.1824 3.299753  -5.627808      6.599505 
1 1 1 1   6  17 o 89.53766 2.633021  4.233162       5.266043 
1 1 1 1   6  18 o 130.6618 1.957628  -3.128830      3.915257 
1 1 1 1   6  19 o 176.2090 2.667886  6.058182       5.335771 
1 1 1 1   6  20 o 86.07686 1.874041  -1.279465      3.748082 
1 1 1 1   6  21 o 56.53088 2.048777  2.599770       4.097553 
1 1 1 1   6  22 o 107.7718 1.893063  2.364052       3.786125 
1 1 1 1   6  23 o 48.65671 2.422580  -3.212582      4.845161 
1 1 1 1   6  24 o 100.7743 2.011560  -5.109566      4.023120 
1 1 1 1   6  25 o 57.59783 2.582653  -3.361774      5.165306 
1 1 1 1   6  26 o 145.2614 2.472857  ?              ?        
1 1 1 1   6  27 o 106.4548 2.298898  ?              ?        
1 1 1 1   6  28 o 52.13207 2.893980  -3.455948      5.787960 
1 1 1 1   6  29 o 58.95544 2.940439  -9.915421      5.880878 
1 1 1 1   6  30 o 35.86720 3.314100  -0.6812820     6.628200 
1 1 1 1   6  31 o 40.02707 3.050256  -15.44832      6.100513 
1 1 1 1   6  32 f 15.71658 6.111766  ?              ?        
1 1 1 1   6  33 o 39.06991 3.443375  -29.71574      6.886751 
1 1 1 1   6  34 o 13.30953 4.121596  -3.056921      8.243193 
1 1 1 1   6  35 o 19.08451 4.300202  -8.085125      8.600405 
1 1 1 1   7  0  o 215.8927 4.539690  ?              ?        
1 1 1 1   7  1  o 31.53994 2.201012  ?              ?        
1 1 1 1   7  2  o 47.66897 2.709898  ?              ?        
1 1 1 1   7  3  o 203.6837 3.113040  3.104782       6.226080 
1 1 1 1   7  4  o 50.43898 2.076203  2.044922       4.152406 
1 1 1 1   7  5  o 196.9028 3.079386  2.961472       6.158771 
1 1 1 1   7  6  f 116.2877 2.319496  1.853127       4.638992 
1 1 1 1   7  7  o 122.6475 2.416755  -2.465080      4.833510 
1 1 1 1   7  8  o 259.3979 3.852990  2.885529       7.705980 
1 1 1 1   7  9  o 109.8732 2.199366  1.938759       4.398732 
1 1 1 1   7  10 o 239.5067 3.227583  6.389633       6.455165 
1 1 1 1   7  11 o 27.36634 3.753027  -10.57461      7.506053 
1 1 1 1   7  12 o 259.1642 3.428552  2.016205       6.857105 
1 1 1 1   7  13 o 441.2106 6.143198  2.434296       12.28640 
1 1 1 1   7  14 o 148.2141 2.592237  3.675110       5.184475 
1 1 1 1   7  15 o 139.2413 2.581645  -3.242676      5.163290 
1 1 1 1   7  16 o 348.8880 4.953938  ?              ?        
1 1 1 1   7  17 o 115.7769 2.516014  -1.009918      5.032028 
1 1 1 1   7  18 o 228.2063 3.182090  3.006119       6.364180 
1 1 1 1   7  19 o 194.4841 2.371284  -1.364899      4.742568 
1 1 1 1   7  20 o 86.82050 1.978315  4.503342       3.956631 
1 1 1 1   7  21 o 126.2299 2.029364  4.031219       4.058728 
1 1 1 1   7  22 o 82.75388 2.007739  6.664970       4.015477 
1 1 1 1   7  23 o 75.51850 2.152066  3.200623       4.304132 
1 1 1 1   7  24 o 46.44790 2.846777  5.309258       5.693554 
1 1 1 1   7  25 o 29.52036 4.137561  4.695286       8.275123 
1 1 1 1   7  26 o 48.63561 4.094492  3.561424       8.188984 
1 1 1 1   7  27 o 73.60873 2.590680  -2.726105      5.181359 
1 1 1 1   7  28 o 77.26494 2.825308  -1.596008      5.650617 
1 1 1 1   7  29 o 59.37576 2.682950  -10.79283      5.365899 
1 1 1 1   7  30 o 52.63982 2.642704  -11.15631      5.285407 
1 1 1 1   7  31 f 28.22777 3.861621  -8.681887      7.723243 
1 1 1 1   7  32 o 37.52733 3.275125  -14.94999      6.550250 
1 1 1 1   7  33 o 29.64387 4.537161  -7.324177      9.074322 
1 1 1 1   7  34 o 22.79651 5.476080  ?              ?        
1 1 1 1   8  0  o 159.9953 3.785813  ?              ?        
1 1 1 1   8  1  o 193.0946 3.011679  ?              ?        
1 1 1 1   8  2  o 105.7927 3.118086  ?              ?        
1 1 1 1   8  3  o 240.3316 5.067695  ?              ?        
1 1 1 1   8  4  o 90.52446 2.166479  3.095039       4.332958 
1 1 1 1   8  5  o 87.49884 2.231925  2.264732       4.463850 
1 1 1 1   8  6  o 248.5983 3.733936  3.016388       7.467873 
1 1 1 1   8  7  o 121.0247 2.504258  -0.6561279E-03 5.008516 
1 1 1 1   8  8  o 35.73489 3.206188  7.190964       6.412375 
1 1 1 1   8  9  o 254.0997 3.877553  -1.771286      7.755105 
1 1 1 1   8  10 o 386.1072 4.755852  3.714783       9.511703 
1 1 1 1   8  11 o 376.4603 5.364709  -6.329346      10.72942 
1 1 1 1   8  12 o 122.3622 2.448153  -1.503868      4.896307 
1 1 1 1   8  13 o 45.70676 3.389131  -7.048904      6.778262 
1 1 1 1   8  14 o 169.3312 3.075730  ?              ?        
1 1 1 1   8  15 o 297.3192 3.923366  5.101074       7.846731 
1 1 1 1   8  16 o 84.88086 3.068403  3.009224       6.136807 
1 1 1 1   8  17 f 139.9537 3.035397  0.3263550      6.070795 
1 1 1 1   8  18 f 66.55952 2.804865  1.473663       5.609730 
1 1 1 1   8  19 o 157.4993 2.729368  -7.699585      5.458737 
1 1 1 1   8  20 o 152.1728 2.754786  -0.1432953     5.509572 
1 1 1 1   8  21 o 135.6066 2.635892  -11.56554      5.271783 
1 1 1 1   8  22 o 95.03481 2.648569  4.556732       5.297139 
1 1 1 1   8  23 o 110.6474 2.882327  6.638504       5.764654 
1 1 1 1   8  24 o 46.89782 2.885558  2.456223       5.771116 
1 1 1 1   8  25 o 153.7874 4.213650  ?              ?        
1 1 1 1   8  26 o 40.66674 3.634846  1.516296       7.269691 
1 1 1 1   8  27 o 51.20994 3.214451  -8.918522      6.428902 
1 1 1 1   8  28 o 62.23058 3.299949  -10.40366      6.599899 
1 1 1 1   8  29 o 72.68964 2.476638  -4.202171      4.953276 
1 1 1 1   8  30 o 79.63921 3.862002  ?              ?        
1 1 1 1   8  31 o 13.60487 5.798894  ?              ?        
1 1 1 1   8  32 o 41.16067 3.192013  -10.71148      6.384026 
1 1 1 1   8  33 o 23.57142 4.173234  -14.89033      8.346469 
1 1 1 1   8  34 o 19.04929 5.132633  0.5315800      10.26527 
1 1 1 1   9  0  o 122.8699 3.431787  ?              ?        
1 1 1 1   9  1  o 110.1301 2.326357  ?              ?        
1 1 1 1   9  2  o 155.7290 3.829366  ?              ?        
1 1 1 1   9  3  o 134.8512 3.634959  ?              ?        
1 1 1 1   9  4  o 105.5903 2.387779  -2.979355      4.775559 
1 1 1 1   9  5  f 355.9775 5.055657  -5.495361      10.11131 
1 1 1 1   9  6  o 224.1867 3.537875  2.035629       7.075751 
1 1 1 1   9  7  o 219.6699 4.931885  ?              ?        
1 1 1 1   9  8  o 237.5663 5.283010  ?              ?        
1 1 1 1   9  9  o 257.5284 3.962555  2.193787       7.925110 
1 1 1 1   9  10 o 211.7789 3.516909  1.506607       7.033817 
1 1 1 1   9  11 o 251.4902 3.422092  -3.677505      6.844185 
1 1 1 1   9  12 f 188.1490 3.359331  ?              ?        
1 1 1 1   9  13 o 222.6084 3.219414  -2.790848      6.438829 
1 1 1 1   9  14 o 230.4856 3.819165  8.643188       7.638330 
1 1 1 1   9  15 o 233.5511 3.855193  5.430283       7.710387 
1 1 1 1   9  16 o 78.75026 2.760635  2.808418       5.521270 
1 1 1 1   9  17 o 60.20835 2.963066  9.428864       5.926131 
1 1 1 1   9  18 o 148.9250 2.706367  -7.468704      5.412733 
1 1 1 1   9  19 f 200.8203 3.115113  -1.374954      6.230227 
1 1 1 1   9  20 o 82.43840 2.733230  -0.7167435     5.466460 
1 1 1 1   9  21 o 84.43529 2.769711  -1.319527      5.539422 
1 1 1 1   9  22 o 85.75826 2.816849  6.086823       5.633698 
1 1 1 1   9  23 o 87.03806 2.897858  0.6058731      5.795716 
1 1 1 1   9  24 o 137.3720 2.676659  ?              ?        
1 1 1 1   9  25 o 127.5909 3.421700  2.330193       6.843400 
1 1 1 1   9  26 o 70.29868 3.534878  -11.06340      7.069757 
1 1 1 1   9  27 o 54.56824 4.889837  -16.14017      9.779675 
1 1 1 1   9  28 o 56.19462 3.737156  1.614799       7.474313 
1 1 1 1   9  29 o 63.14804 3.649755  -12.04168      7.299511 
1 1 1 1   9  30 o 57.39937 5.908187  ?              ?        
1 1 1 1   9  31 o 37.22031 4.594562  -19.96469      9.189124 
1 1 1 1   9  32 o 10.60596 3.522255  -0.7126093     7.044509 
1 1 1 1   9  33 o 68.49338 3.405490  ?              ?        
1 1 1 1   9  34 o 14.96627 4.391165  -3.947397      8.782331 
1 1 1 1   10 0  x ?        ?         ?              ?        
1 1 1 1   10 1  x ?        ?         ?              ?        
1 1 1 1   10 2  x ?        ?         ?              ?        
1 1 1 1   10 3  x ?        ?         ?              ?        
1 1 1 1   10 4  o 177.7734 4.387633  ?              ?        
1 1 1 1   10 5  o 225.3312 3.582253  1.667648       7.164507 
1 1 1 1   10 6  o 140.3962 2.834201  -10.50101      5.668402 
1 1 1 1   10 7  f 448.6452 6.273509  16.54688       12.54702 
1 1 1 1   10 8  o 145.0147 2.934908  0.4683533      5.869815 
1 1 1 1   10 9  o 79.02886 4.153280  ?              ?        
1 1 1 1   10 10 o 69.37455 3.158373  4.245560       6.316746 
1 1 1 1   10 11 o 276.7560 4.298851  -11.63171      8.597703 
1 1 1 1   10 12 o 41.27908 4.844013  9.561115       9.688026 
1 1 1 1   10 13 o 244.1097 3.534092  10.78687       7.068184 
1 1 1 1   10 14 o 262.3181 3.651410  2.230927       7.302820 
1 1 1 1   10 15 f 157.8739 2.844678  1.875183       5.689357 
1 1 1 1   10 16 f 114.8627 2.705779  -4.667511      5.411557 
1 1 1 1   10 17 o 21.20874 4.795351  -0.3583965     9.590702 
1 1 1 1   10 18 o 120.7370 2.716933  -2.733437      5.433867 
1 1 1 1   10 19 o 92.53313 2.760961  -0.6927261     5.521921 
1 1 1 1   10 20 o 78.92373 3.160490  -4.108444      6.320980 
1 1 1 1   10 21 o 29.71950 4.920696  15.05785       9.841393 
1 1 1 1   10 22 o 59.35537 3.409844  -6.744579      6.819687 
1 1 1 1   10 23 o 48.72287 3.236788  ?              ?        
1 1 1 1   10 24 o 77.60262 3.297810  6.454887       6.595620 
1 1 1 1   10 25 o 87.87880 3.688854  3.859276       7.377708 
1 1 1 1   10 26 o 73.69971 3.431965  6.818878       6.863930 
1 1 1 1   10 27 o 62.41502 4.011805  -7.684807      8.023609 
1 1 1 1   10 28 o 95.56741 3.311894  -10.24551      6.623789 
1 1 1 1   10 29 o 48.27298 7.187431  ?              ?        
1 1 1 1   10 30 o 61.61223 3.328869  -32.73585      6.657738 
1 1 1 1   10 31 o 35.69314 3.790812  -12.25416      7.581625 
1 1 1 1   10 32 x ?        ?         ?              ?        
1 1 1 1   10 33 o 27.82846 4.066989  -21.30061      8.133978 
1 1 1 1   11 0  o 323.1664 6.660677  ?              ?        
1 1 1 1   11 1  o 108.4403 2.615248  ?              ?        
1 1 1 1   11 2  o 168.6209 3.132606  ?              ?        
1 1 1 1   11 3  o 228.4164 5.131623  ?              ?        
1 1 1 1   11 4  o 255.6603 5.607205  ?              ?        
1 1 1 1   11 5  o 129.1015 4.044077  ?              ?        
1 1 1 1   11 6  o 125.9223 2.870344  -7.396553      5.740688 
1 1 1 1   11 7  o 106.7568 2.847418  4.143654       5.694836 
1 1 1 1   11 8  o 375.1928 5.413684  11.86584       10.82737 
1 1 1 1   11 9  o 162.2364 3.211026  2.010513       6.422052 
1 1 1 1   11 10 o 319.6612 4.807213  -3.694977      9.614427 
1 1 1 1   11 11 o 140.2690 3.197218  -2.460541      6.394435 
1 1 1 1   11 12 o 166.0236 3.347342  15.38901       6.694685 
1 1 1 1   11 13 o 82.99945 2.947040  3.602585       5.894080 
1 1 1 1   11 14 o 286.2744 3.885166  -4.823395      7.770332 
1 1 1 1   11 15 o 106.3210 2.743535  6.186188       5.487069 
1 1 1 1   11 16 o 78.76959 2.879119  -8.820290      5.758238 
1 1 1 1   11 17 o 47.65910 3.517657  5.102406       7.035314 
1 1 1 1   11 18 o 21.28974 5.131567  -8.139069      10.26313 
1 1 1 1   11 19 o 153.2572 2.959042  -10.74536      5.918085 
1 1 1 1   11 20 o 143.5688 3.013700  8.545410       6.027401 
1 1 1 1   11 21 o 103.5042 2.899313  ?              ?        
1 1 1 1   11 22 o 111.1568 3.048100  -3.421768      6.096201 
1 1 1 1   11 23 o 83.00516 3.318663  3.460411       6.637327 
1 1 1 1   11 24 o 35.89705 5.860435  -14.45677      11.72087 
1 1 1 1   11 25 o 78.15169 3.462950  -3.229156      6.925899 
1 1 1 1   11 26 o 124.2549 3.257228  7.609207       6.514457 
1 1 1 1   11 27 o 97.82445 3.245924  2.181564       6.491847 
1 1 1 1   11 28 f 67.25688 3.459424  3.807671       6.918848 
1 1 1 1   11 29 o 63.91924 3.516765  -19.43615      7.033529 
1 1 1 1   11 30 o 28.04172 4.253569  -14.68793      8.507138 
1 1 1 1   11 31 o 17.44345 6.387499  ?              ?        
1 1 1 1   11 32 o 22.93997 3.740873  -19.03753      7.481745 
1 1 1 1   11 33 o 15.43215 4.554037  -1.903868      9.108073 
1 1 1 1   12 0  f 224.2330 5.185364  ?              ?        
1 1 1 1   12 1  o 217.5030 3.599910  ?              ?        
1 1 1 1   12 2  o 278.6816 4.219903  ?              ?        
1 1 1 1   12 3  o 63.89500 4.126686  ?              ?        
1 1 1 1   12 4  o 312.0612 6.577693  ?              ?        
1 1 1 1   12 5  o 185.2200 4.717954  ?              ?        
1 1 1 1   12 6  o 136.9105 3.061068  3.063278       6.122136 
1 1 1 1   12 7  o 88.50696 3.090979  6.464836       6.181958 
1 1 1 1   12 8  o 32.57800 5.603092  11.24002       11.20618 
1 1 1 1   12 9  o 306.0007 4.673172  -8.497589      9.346343 
1 1 1 1   12 10 o 192.2715 3.573570  -6.635284      7.147140 
1 1 1 1   12 11 o 259.3604 4.218961  -0.9632263     8.437922 
1 1 1 1   12 12 o 142.1461 3.293193  10.11494       6.586386 
1 1 1 1   12 13 o 154.0642 2.927663  6.240097       5.855326 
1 1 1 1   12 14 o 145.9714 2.894811  -1.281982      5.789623 
1 1 1 1   12 15 o 208.5084 3.287341  -1.257507      6.574683 
1 1 1 1   12 16 o 118.6666 3.264136  -11.23386      6.528272 
1 1 1 1   12 17 o 49.00710 3.551841  11.86591       7.103681 
1 1 1 1   12 18 o 107.8437 2.861677  7.849739       5.723353 
1 1 1 1   12 19 o 39.46762 4.357844  ?              ?        
1 1 1 1   12 20 o 111.1943 3.016237  6.219955       6.032474 
1 1 1 1   12 21 o 54.55305 3.956522  -5.478035      7.913045 
1 1 1 1   12 22 o 63.75830 4.292739  4.496944       8.585478 
1 1 1 1   12 23 o 68.45288 3.682564  3.803001       7.365127 
1 1 1 1   12 24 o 51.04547 4.302343  5.053841       8.604687 
1 1 1 1   12 25 o 53.77847 4.059345  0.3389816      8.118690 
1 1 1 1   12 26 o 84.22244 3.442689  4.324074       6.885377 
1 1 1 1   12 27 o 28.32574 5.548292  -3.855156      11.09658 
1 1 1 1   12 28 o 23.96778 4.802673  -8.619911      9.605346 
1 1 1 1   12 29 o 32.71481 7.356341  ?              ?        
1 1 1 1   12 30 o 43.48805 3.533054  ?              ?        
1 1 1 1   12 31 o 15.96918 4.071347  -10.32193      8.142694 
1 1 1 1   12 32 o 20.38299 4.095096  -14.68441      8.190192 
1 1 1 1   13 0  o 102.0482 4.069915  ?              ?        
1 1 1 1   13 1  f 342.3770 5.031386  ?              ?        
1 1 1 1   13 2  f 50.10130 3.527466  ?              ?        
1 1 1 1   13 3  o 120.5191 4.296815  ?              ?        
1 1 1 1   13 4  o 129.6373 4.363676  ?              ?        
1 1 1 1   13 5  o 295.6342 6.441259  ?              ?        
1 1 1 1   13 6  o 65.86467 5.039976  ?              ?        
1 1 1 1   13 7  o 69.21756 3.465308  -9.489296      6.930616 
1 1 1 1   13 8  o 182.7241 3.498205  -0.5981598     6.996410 
1 1 1 1   13 9  o 193.9274 3.633591  17.30237       7.267182 
1 1 1 1   13 10 o 136.5733 3.324007  0.2284546      6.648015 
1 1 1 1   13 11 o 108.2711 3.311182  -9.853172      6.622363 
1 1 1 1   13 12 o 189.2148 3.604427  1.181747       7.208855 
1 1 1 1   13 13 o 160.9953 4.921030  ?              ?        
1 1 1 1   13 14 o 127.4003 2.853596  -1.073494      5.707193 
1 1 1 1   13 15 o 67.51666 3.112884  -4.842010      6.225767 
1 1 1 1   13 16 o 37.21061 4.675351  -10.57190      9.350701 
1 1 1 1   13 17 o 87.84631 3.332952  ?              ?        
1 1 1 1   13 18 o 96.73630 2.976357  1.118027       5.952714 
1 1 1 1   13 19 o 77.60039 3.186021  10.30663       6.372043 
1 1 1 1   13 20 o 125.2954 3.518528  6.011589       7.037056 
1 1 1 1   13 21 o 85.26038 3.240628  11.71130       6.481256 
1 1 1 1   13 22 o 128.5430 3.184175  -9.930183      6.368350 
1 1 1 1   13 23 f 80.75810 3.525371  11.14691       7.050743 
1 1 1 1   13 24 o 70.04631 3.861499  -5.414803      7.722998 
1 1 1 1   13 25 o 65.26966 3.795857  3.584415       7.591713 
1 1 1 1   13 26 o 33.98695 5.044399  -25.74676      10.08880 
1 1 1 1   13 27 o 19.47009 5.238794  1.632099       10.47759 
1 1 1 1   13 28 o 48.04281 3.376162  ?              ?        
1 1 1 1   13 29 f 35.69621 4.015937  -0.4532623     8.031875 
1 1 1 1   13 30 o 27.60141 7.240640  ?              ?        
1 1 1 1   13 31 o 23.90697 6.764457  ?              ?        
1 1 1 1   13 32 o 21.18885 4.930049  -8.115839      9.860098 
1 1 1 1   14 0  f 137.9626 4.436123  ?              ?        
1 1 1 1   14 1  o 137.4998 3.227494  ?              ?        
1 1 1 1   14 2  o 260.9158 4.174445  ?              ?        
1 1 1 1   14 3  o 54.60759 3.833530  ?              ?        
1 1 1 1   14 4  o 242.5537 5.710818  ?              ?        
1 1 1 1   14 5  o 51.04998 6.165010  ?              ?        
1 1 1 1   14 6  o 244.1443 5.792883  ?              ?        
1 1 1 1   14 7  o 137.0174 3.311252  11.35728       6.622504 
1 1 1 1   14 8  o 98.36467 3.307497  1.134079       6.614993 
1 1 1 1   14 9  o 158.4808 4.837509  ?              ?        
1 1 1 1   14 10 o 95.77270 4.710695  ?              ?        
1 1 1 1   14 11 o 57.25558 4.104613  -6.701817      8.209227 
1 1 1 1   14 12 o 106.1305 3.326277  7.819000       6.652554 
1 1 1 1   14 13 o 111.5681 3.328943  -6.662323      6.657887 
1 1 1 1   14 14 o 126.2325 4.644906  ?              ?        
1 1 1 1   14 15 o 184.4713 3.218832  1.027283       6.437665 
1 1 1 1   14 16 o 157.2175 3.101673  0.7889099      6.203346 
1 1 1 1   14 17 o 93.93155 3.408941  -2.328934      6.817881 
1 1 1 1   14 18 o 65.50364 3.956123  4.011566       7.912245 
1 1 1 1   14 19 o 121.2012 3.182245  9.730675       6.364491 
1 1 1 1   14 20 o 25.16077 5.388853  -8.575121      10.77771 
1 1 1 1   14 21 o 79.25089 3.488345  -2.154297      6.976689 
1 1 1 1   14 22 o 75.17093 3.718762  -0.7525330     7.437524 
1 1 1 1   14 23 o 89.85451 3.455924  6.806084       6.911849 
1 1 1 1   14 24 o 64.67385 6.534631  ?              ?        
1 1 1 1   14 25 o 69.30154 6.447509  ?              ?        
1 1 1 1   14 26 o 50.17753 4.386874  9.230663       8.773748 
1 1 1 1   14 27 f 62.64213 3.414240  0.4403763      6.828481 
1 1 1 1   14 28 o 39.31840 7.353906  ?              ?        
1 1 1 1   14 29 o 32.04345 4.286503  -7.064014      8.573007 
1 1 1 1   14 30 o 12.18666 3.948645  1.085905       7.897289 
1 1 1 1   14 31 o 12.79281 3.950008  -2.525869      7.900017 
1 1 1 1   15 0  o 154.1793 5.018128  ?              ?        
1 1 1 1   15 1  o 249.1632 5.828899  ?              ?        
1 1 1 1   15 2  o 38.45528 7.072103  ?              ?        
1 1 1 1   15 3  o 36.72392 7.000364  ?              ?        
1 1 1 1   15 4  x ?        ?         ?              ?        
1 1 1 1   15 5  o 121.3637 4.693427  ?              ?        
1 1 1 1   15 6  o 171.0929 5.000106  ?              ?        
1 1 1 1   15 7  o 190.8074 5.233047  ?              ?        
1 1 1 1   15 8  o 23.45512 5.646505  -10.72614      11.29301 
1 1 1 1   15 9  o 87.17946 3.416716  3.452950       6.833433 
1 1 1 1   15 10 o 125.2820 4.714199  ?              ?        
1 1 1 1   15 11 o 118.0607 4.773166  ?              ?        
1 1 1 1   15 12 o 121.3885 3.338075  -6.194481      6.676150 
1 1 1 1   15 13 o 77.45552 3.495502  4.709404       6.991005 
1 1 1 1   15 14 o 51.97010 4.178878  4.356201       8.357756 
1 1 1 1   15 15 o 102.2058 3.412334  4.669266       6.824669 
1 1 1 1   15 16 o 51.33689 4.005352  1.490761       8.010704 
1 1 1 1   15 17 o 51.97430 3.985700  -5.801422      7.971400 
1 1 1 1   15 18 o 134.7771 3.220354  0.4995422      6.440707 
1 1 1 1   15 19 o 24.80281 5.960329  5.508129       11.92066 
1 1 1 1   15 20 o 55.93623 4.111736  7.614658       8.223473 
1 1 1 1   15 21 o 111.1245 3.409878  0.2097778      6.819756 
1 1 1 1   15 22 o 81.18246 4.180184  -9.676353      8.360369 
1 1 1 1   15 23 o 112.4965 3.394187  -4.411957      6.788374 
1 1 1 1   15 24 o 75.86495 3.613587  -0.7664490     7.227174 
1 1 1 1   15 25 o 35.39853 4.959013  ?              ?        
1 1 1 1   15 26 o 76.34911 3.279335  ?              ?        
1 1 1 1   15 27 o 47.43664 3.888628  -3.500443      7.777256 
1 1 1 1   15 28 o 12.55028 3.938410  -1.148856      7.876819 
1 1 1 1   15 29 o 17.57515 4.345827  -5.915319      8.691654 
1 1 1 1   15 30 o 13.90879 4.076753  -0.3524303     8.153505 
1 1 1 1   15 31 o 13.03976 3.896056  -4.745311      7.792113 
1 1 1 1   16 0  o 259.7386 6.056468  ?              ?        
1 1 1 1   16 1  o 261.5035 4.327645  ?              ?        
1 1 1 1   16 2  o 113.7286 3.193487  ?              ?        
1 1 1 1   16 3  o 185.4221 3.571367  ?              ?        
1 1 1 1   16 4  o 114.6745 3.235873  ?              ?        
1 1 1 1   16 5  o 139.7236 4.746816  ?              ?        
1 1 1 1   16 6  o 145.9112 4.866000  ?              ?        
1 1 1 1   16 7  o 32.27176 7.707823  ?              ?        
1 1 1 1   16 8  o 95.69525 4.643938  ?              ?        
1 1 1 1   16 9  o 23.80346 5.357847  14.59647       10.71569 
1 1 1 1   16 10 o 60.04408 3.833225  13.14820       7.666449 
1 1 1 1   16 11 o 49.88591 4.221382  2.490822       8.442763 
1 1 1 1   16 12 o 37.59110 5.153195  19.67127       10.30639 
1 1 1 1   16 13 o 53.85597 4.156719  8.807285       8.313438 
1 1 1 1   16 14 o 65.82095 3.952223  -5.365021      7.904447 
1 1 1 1   16 15 o 111.5981 3.539215  2.491646       7.078430 
1 1 1 1   16 16 o 23.45207 5.493745  -7.450468      10.98749 
1 1 1 1   16 17 o 36.24467 5.265559  2.750881       10.53112 
1 1 1 1   16 18 o 35.07549 5.835375  8.303768       11.67075 
1 1 1 1   16 19 o 45.58729 5.100196  -6.698784      10.20039 
1 1 1 1   16 20 o 84.57860 4.103880  -9.784760      8.207761 
1 1 1 1   16 21 o 118.1133 3.491394  -1.156113      6.982787 
1 1 1 1   16 22 o 149.5434 3.508336  8.844086       7.016673 
1 1 1 1   16 23 o 49.98592 4.429739  ?              ?        
1 1 1 1   16 24 o 19.59604 5.265328  -3.090696      10.53066 
1 1 1 1   16 25 o 62.22042 3.414377  -4.473221      6.828754 
1 1 1 1   16 26 o 25.49095 7.877101  ?              ?        
1 1 1 1   16 27 o 35.56075 4.833339  -21.40547      9.666678 
1 1 1 1   16 28 f 25.67076 4.471712  7.869337       8.943423 
1 1 1 1   16 29 o 18.78944 4.545747  0.9453793      9.091494 
1 1 1 1   16 30 o 18.11237 4.675559  -2.948996      9.351118 
1 1 1 1   17 0  o 66.84137 4.905329  ?              ?        
1 1 1 1   17 1  o 140.8592 3.373394  ?              ?        
1 1 1 1   17 2  o 170.8414 3.506896  ?              ?        
1 1 1 1   17 3  o 94.50941 3.271577  ?              ?        
1 1 1 1   17 4  o 89.57337 3.339658  ?              ?        
1 1 1 1   17 5  o 52.08960 5.503223  ?              ?        
1 1 1 1   17 6  o 114.6042 4.603719  ?              ?        
1 1 1 1   17 7  o 219.3191 5.603099  ?              ?        
1 1 1 1   17 8  o 56.57692 5.339079  ?              ?        
1 1 1 1   17 9  o 146.0494 4.972411  ?              ?        
1 1 1 1   17 10 o 21.49734 5.747139  -3.167990      11.49428 
1 1 1 1   17 11 o 65.25026 3.775443  -8.813885      7.550886 
1 1 1 1   17 12 o 68.80237 3.887544  5.040993       7.775088 
1 1 1 1   17 13 o 14.73503 4.871632  2.001928       9.743263 
1 1 1 1   17 14 o 149.3418 3.697604  -0.1525879E-01 7.395208 
1 1 1 1   17 15 o 91.54913 3.742239  10.24197       7.484477 
1 1 1 1   17 16 o 41.71132 5.417271  -18.18445      10.83454 
1 1 1 1   17 17 o 67.69821 4.704803  -4.502754      9.409607 
1 1 1 1   17 18 o 48.53644 5.201676  -5.142475      10.40335 
1 1 1 1   17 19 o 17.00144 5.423808  1.395380       10.84762 
1 1 1 1   17 20 f 17.57776 7.365847  ?              ?        
1 1 1 1   17 21 o 54.38535 4.733634  -7.493759      9.467269 
1 1 1 1   17 22 o 80.78796 3.725007  -9.067154      7.450013 
1 1 1 1   17 23 o 19.34522 5.378156  -1.599693      10.75631 
1 1 1 1   17 24 o 94.23216 3.576309  -5.303871      7.152617 
1 1 1 1   17 25 o 34.11355 4.578653  7.100441       9.157307 
1 1 1 1   17 26 o 35.24311 6.774464  ?              ?        
1 1 1 1   17 27 o 24.98503 4.437454  -3.046585      8.874908 
1 1 1 1   17 28 o 35.09891 3.788536  -11.41667      7.577071 
1 1 1 1   17 29 f 13.07012 4.217728  -1.405928      8.435455 
1 1 1 1   18 0  o 44.67872 6.012306  ?              ?        
1 1 1 1   18 1  o 81.79880 3.456830  ?              ?        
1 1 1 1   18 2  o 196.2102 3.725822  ?              ?        
1 1 1 1   18 3  o 200.3690 3.789852  ?              ?        
1 1 1 1   18 4  o 155.1892 3.463179  ?              ?        
1 1 1 1   18 5  o 117.8795 3.307128  ?              ?        
1 1 1 1   18 6  o 47.89189 5.923121  ?              ?        
1 1 1 1   18 7  o 129.8550 4.874269  ?              ?        
1 1 1 1   18 8  o 56.64407 5.646206  ?              ?        
1 1 1 1   18 9  o 89.69193 5.234706  ?              ?        
1 1 1 1   18 10 o 51.04154 6.563895  ?              ?        
1 1 1 1   18 11 o 94.17558 3.708061  -3.394684      7.416122 
1 1 1 1   18 12 o 35.77605 5.716927  -13.15051      11.43385 
1 1 1 1   18 13 o 129.6490 5.215528  ?              ?        
1 1 1 1   18 14 o 65.19796 5.965103  ?              ?        
1 1 1 1   18 15 o 43.44778 5.739836  12.60801       11.47967 
1 1 1 1   18 16 o 67.21362 4.606490  -5.182976      9.212980 
1 1 1 1   18 17 o 61.37273 4.980263  ?              ?        
1 1 1 1   18 18 o 84.76204 4.401896  ?              ?        
1 1 1 1   18 19 o 44.75652 5.455665  2.598820       10.91133 
1 1 1 1   18 20 o 29.24891 6.354578  8.758059       12.70916 
1 1 1 1   18 21 o 24.37038 6.080952  2.919331       12.16190 
1 1 1 1   18 22 o 34.55372 6.068973  12.11414       12.13795 
1 1 1 1   18 23 o 92.19316 3.752485  3.554123       7.504970 
1 1 1 1   18 24 o 31.32664 4.986175  -0.6403217     9.972349 
1 1 1 1   18 25 o 35.59499 4.400030  -11.46417      8.800059 
1 1 1 1   18 26 f 17.36505 4.636889  5.067491       9.273779 
1 1 1 1   18 27 o 41.52187 3.996062  -8.502998      7.992123 
1 1 1 1   18 28 o 11.73900 3.793876  1.383141       7.587751 
1 1 1 1   19 0  o 62.83070 5.356228  ?              ?        
1 1 1 1   19 1  o 109.9026 3.413619  ?              ?        
1 1 1 1   19 2  f 110.5694 3.432511  ?              ?        
1 1 1 1   19 3  o 13.66678 5.939194  ?              ?        
1 1 1 1   19 4  o 108.2863 3.486511  ?              ?        
1 1 1 1   19 5  f 49.02884 4.424785  ?              ?        
1 1 1 1   19 6  o 157.5909 5.259532  ?              ?        
1 1 1 1   19 7  o 127.7840 5.095318  ?              ?        
1 1 1 1   19 8  x ?        ?         ?              ?        
1 1 1 1   19 9  x ?        ?         ?              ?        
1 1 1 1   19 10 o 28.60089 9.889699  ?              ?        
1 1 1 1   19 11 o 106.0780 5.495082  ?              ?        
1 1 1 1   19 12 o 115.7589 3.761188  13.66599       7.522377 
1 1 1 1   19 13 o 41.14936 6.088200  4.161736       12.17640 
1 1 1 1   19 14 o 85.37786 5.708966  ?              ?        
1 1 1 1   19 15 o 56.67696 5.026999  0.7157211      10.05400 
1 1 1 1   19 16 o 72.91125 4.652091  -12.34716      9.304181 
1 1 1 1   19 17 o 151.9836 3.594306  0.1240540E-01  7.188613 
1 1 1 1   19 18 o 20.95254 5.946764  -13.52620      11.89353 
1 1 1 1   19 19 o 98.04706 4.003105  -6.925476      8.006209 
1 1 1 1   19 20 f 35.97688 5.348863  -13.82136      10.69773 
1 1 1 1   19 21 o 102.0327 3.378844  -13.10282      6.757689 
1 1 1 1   19 22 o 34.45532 5.006333  -6.407728      10.01267 
1 1 1 1   19 23 o 54.42342 3.567980  -6.783718      7.135961 
1 1 1 1   19 24 o 30.48271 4.451917  4.857182       8.903834 
1 1 1 1   19 25 o 20.37620 4.917731  5.988487       9.835463 
1 1 1 1   19 26 o 17.75327 3.662447  -14.47858      7.324895 
1 1 1 1   19 27 o 23.03010 5.395512  ?              ?        
1 1 1 1   20 0  x ?        ?         ?              ?        
1 1 1 1   20 1  x ?        ?         ?              ?        
1 1 1 1   20 2  o 94.79398 5.375552  ?              ?        
1 1 1 1   20 3  o 127.6869 5.137371  ?              ?        
1 1 1 1   20 4  o 79.43977 5.562209  ?              ?        
1 1 1 1   20 5  o 95.25210 5.301110  ?              ?        
1 1 1 1   20 6  o 102.6805 5.408687  ?              ?        
1 1 1 1   20 7  o 67.38264 5.940434  ?              ?        
1 1 1 1   20 8  o 81.34145 5.446916  ?              ?        
1 1 1 1   20 9  f 61.04626 6.523401  ?              ?        
1 1 1 1   20 10 o 79.13255 6.434052  ?              ?        
1 1 1 1   20 11 o 142.3982 5.575537  ?              ?        
1 1 1 1   20 12 o 80.90313 5.812274  ?              ?        
1 1 1 1   20 13 o 54.91235 5.674739  18.97623       11.34948 
1 1 1 1   20 14 o 45.83469 6.410735  -8.580395      12.82147 
1 1 1 1   20 15 o 95.46872 4.166482  -4.692741      8.332965 
1 1 1 1   20 16 o 51.65255 5.495681  -4.255733      10.99136 
1 1 1 1   20 17 o 71.11864 4.395823  -1.538857      8.791645 
1 1 1 1   20 18 o 61.70565 4.004247  10.67127       8.008493 
1 1 1 1   20 19 o 67.73277 3.649400  6.315048       7.298800 
1 1 1 1   20 20 o 44.29129 4.309573  7.627052       8.619146 
1 1 1 1   20 21 o 31.77316 5.363164  5.401859       10.72633 
1 1 1 1   20 22 o 20.92788 5.552416  -0.5536938     11.10483 
1 1 1 1   20 23 o 16.90507 4.576611  6.507120       9.153222 
1 1 1 1   20 24 o 38.19979 4.002717  -13.51090      8.005434 
1 1 1 1   20 25 o 24.61797 5.598987  ?              ?        
1 1 1 1   20 26 o 21.80309 4.389045  -6.375601      8.778090 
1 1 1 1   21 0  x ?        ?         ?              ?        
1 1 1 1   21 1  o 69.89679 5.248157  ?              ?        
1 1 1 1   21 2  o 46.77059 6.744212  ?              ?        
1 1 1 1   21 3  o 72.41620 4.235896  ?              ?        
1 1 1 1   21 4  o 180.5426 3.933795  ?              ?        
1 1 1 1   21 5  o 105.1701 3.703364  ?              ?        
1 1 1 1   21 6  o 50.66123 4.746431  ?              ?        
1 1 1 1   21 7  o 54.07183 4.578042  ?              ?        
1 1 1 1   21 8  o 26.24140 9.329191  ?              ?        
1 1 1 1   21 9  o 120.1488 5.657113  ?              ?        
1 1 1 1   21 10 o 31.19296 10.72319  ?              ?        
1 1 1 1   21 11 o 37.15501 9.634729  ?              ?        
1 1 1 1   21 12 f 40.51624 9.925610  ?              ?        
1 1 1 1   21 13 o 34.53130 9.331667  ?              ?        
1 1 1 1   21 14 f 106.4612 6.004894  ?              ?        
1 1 1 1   21 15 o 23.76950 6.187873  -15.55750      12.37575 
1 1 1 1   21 16 o 74.06075 4.352148  -8.286705      8.704295 
1 1 1 1   21 17 o 37.39420 5.681276  -29.59005      11.36255 
1 1 1 1   21 18 o 20.55993 5.548745  1.106409       11.09749 
1 1 1 1   21 19 o 32.52932 5.397034  27.16487       10.79407 
1 1 1 1   21 20 o 20.97209 4.970052  -7.520329      9.940104 
1 1 1 1   21 21 o 21.36719 4.890787  -7.187489      9.781574 
1 1 1 1   21 22 o 12.08443 5.324077  ?              ?        
1 1 1 1   21 23 o 27.21547 4.405023  -6.950533      8.810045 
1 1 1 1   21 24 o 20.14089 4.039990  -11.79190      8.079981 
1 1 1 1   21 25 o 11.11268 3.689517  3.876889       7.379034 
1 1 1 1   22 0  x ?        ?         ?              ?        
1 1 1 1   22 1  x ?        ?         ?              ?        
1 1 1 1   22 2  o 123.3600 5.320003  ?              ?        
1 1 1 1   22 3  o 37.26618 6.682792  ?              ?        
1 1 1 1   22 4  o 110.8475 3.815613  ?              ?        
1 1 1 1   22 5  o 87.60648 3.988304  ?              ?        
1 1 1 1   22 6  o 60.30628 4.538685  ?              ?        
1 1 1 1   22 7  o 35.27682 7.053368  ?              ?        
1 1 1 1   22 8  o 130.8817 3.932702  ?              ?        
1 1 1 1   22 9  o 63.86828 6.912109  ?              ?        
1 1 1 1   22 10 x ?        ?         ?              ?        
1 1 1 1   22 11 o 78.17007 6.490592  ?              ?        
1 1 1 1   22 12 o 30.62144 10.27942  ?              ?        
1 1 1 1   22 13 f 105.7612 6.072003  ?              ?        
1 1 1 1   22 14 f 17.20257 7.899904  ?              ?        
1 1 1 1   22 15 o 74.54398 6.424455  ?              ?        
1 1 1 1   22 16 o 23.11657 8.848737  ?              ?        
1 1 1 1   22 17 o 33.41459 6.493272  2.017281       12.98654 
1 1 1 1   22 18 o 26.86819 5.534549  13.90726       11.06910 
1 1 1 1   22 19 o 10.50398 5.003604  ?              ?        
1 1 1 1   22 20 o 33.17201 4.879526  -4.030346      9.759051 
1 1 1 1   22 21 o 29.06555 4.503767  -13.02830      9.007535 
1 1 1 1   22 22 o 21.19805 4.912782  9.187777       9.825563 
1 1 1 1   22 23 o 23.97387 4.224631  -12.81824      8.449262 
1 1 1 1   22 24 o 16.48315 4.551951  6.220350       9.103903 
1 1 1 1   23 0  x ?        ?         ?              ?        
1 1 1 1   23 1  x ?        ?         ?              ?        
1 1 1 1   23 2  o 61.40994 6.740094  ?              ?        
1 1 1 1   23 3  o 57.98386 5.019435  ?              ?        
1 1 1 1   23 4  o 28.79309 8.055670  ?              ?        
1 1 1 1   23 5  o 113.1795 3.994039  ?              ?        
1 1 1 1   23 6  o 71.54396 4.666178  ?              ?        
1 1 1 1   23 7  o 124.6883 4.044808  ?              ?        
1 1 1 1   23 8  o 54.98234 5.222696  ?              ?        
1 1 1 1   23 9  o 30.06496 7.530908  ?              ?        
1 1 1 1   23 10 x ?        ?         ?              ?        
1 1 1 1   23 11 x ?        ?         ?              ?        
1 1 1 1   23 12 x ?        ?         ?              ?        
1 1 1 1   23 13 o 67.83271 6.418585  ?              ?        
1 1 1 1   23 14 o 48.92730 7.737918  ?              ?        
1 1 1 1   23 15 o 70.70346 5.788043  ?              ?        
1 1 1 1   23 16 o 53.58896 6.334354  ?              ?        
1 1 1 1   23 17 o 25.03099 7.911547  ?              ?        
1 1 1 1   23 18 f 17.76173 5.182942  -1.341064      10.36588 
1 1 1 1   23 19 o 41.24072 4.143876  -9.670025      8.287752 
1 1 1 1   23 20 f 17.84240 4.823065  4.968852       9.646131 
1 1 1 1   23 21 o 42.88903 3.949868  -2.772781      7.899737 
1 1 1 1   23 22 o 18.59473 4.706738  5.496747       9.413477 
1 1 1 1   23 23 o 13.29600 3.961711  -3.924751      7.923421 
1 1 1 1   24 0  x ?        ?         ?              ?        
1 1 1 1   24 1  x ?        ?         ?              ?        
1 1 1 1   24 2  o 36.72033 9.571594  ?              ?        
1 1 1 1   24 3  o 28.01966 8.984086  ?              ?        
1 1 1 1   24 4  o 81.51239 6.179273  ?              ?        
1 1 1 1   24 5  o 21.67667 8.936915  ?              ?        
1 1 1 1   24 6  o 14.62264 6.897375  ?              ?        
1 1 1 1   24 7  o 100.0883 4.017981  ?              ?        
1 1 1 1   24 8  o 24.41809 8.035239  ?              ?        
1 1 1 1   24 9  o 60.17403 6.952102  ?              ?        
1 1 1 1   24 10 x ?        ?         ?              ?        
1 1 1 1   24 11 o 23.27810 9.048892  ?              ?        
1 1 1 1   24 12 o 15.85386 7.214373  ?              ?        
1 1 1 1   24 13 f 16.48771 7.461341  ?              ?        
1 1 1 1   24 14 o 33.97160 8.492636  ?              ?        
1 1 1 1   24 15 o 55.77145 5.645638  ?              ?        
1 1 1 1   24 16 o 18.58709 7.429612  ?              ?        
1 1 1 1   24 17 o 17.00768 6.749857  ?              ?        
1 1 1 1   24 18 o 12.50485 5.719876  ?              ?        
1 1 1 1   24 19 o 20.81952 6.617394  ?              ?        
1 1 1 1   24 20 o 51.93096 3.232955  3.627148       6.465911 
1 1 1 1   24 21 o 12.74773 4.030415  4.362032       8.060829 
1 1 1 1   25 0  x ?        ?         ?              ?        
1 1 1 1   25 1  o 24.06476 9.546370  ?              ?        
1 1 1 1   25 2  f 47.73131 7.659466  ?              ?        
1 1 1 1   25 3  o 65.12862 6.614053  ?              ?        
1 1 1 1   25 4  o 64.52617 4.731757  ?              ?        
1 1 1 1   25 5  o 73.08323 5.919914  ?              ?        
1 1 1 1   25 6  o 63.71860 4.581182  ?              ?        
1 1 1 1   25 7  f 63.91324 4.365793  ?              ?        
1 1 1 1   25 8  o 43.94787 5.283601  ?              ?        
1 1 1 1   25 9  o 40.77837 5.369456  ?              ?        
1 1 1 1   25 10 o 36.52111 8.083189  ?              ?        
1 1 1 1   25 11 o 27.25475 6.630373  ?              ?        
1 1 1 1   25 12 o 19.60166 7.700087  ?              ?        
1 1 1 1   25 13 o 33.13885 6.853731  ?              ?        
1 1 1 1   25 14 o 12.89055 5.938527  ?              ?        
1 1 1 1   25 15 o 40.15533 5.268277  ?              ?        
1 1 1 1   25 16 o 24.27216 6.738232  ?              ?        
1 1 1 1   25 17 o 10.85146 5.091019  ?              ?        
1 1 1 1   25 18 o 18.64650 7.165615  ?              ?        
1 1 1 1   25 19 o 26.82175 8.412163  ?              ?        
1 1 1 1   26 0  x ?        ?         ?              ?        
1 1 1 1   26 1  o 62.07441 6.154739  ?              ?        
1 1 1 1   26 2  o 46.90244 7.650838  ?              ?        
1 1 1 1   26 3  o 53.24620 6.683345  ?              ?        
1 1 1 1   26 4  o 65.65983 4.096962  ?              ?        
1 1 1 1   26 5  o 60.98400 5.524488  ?              ?        
1 1 1 1   26 6  o 82.45056 3.744189  ?              ?        
1 1 1 1   26 7  o 16.32681 6.586639  ?              ?        
1 1 1 1   26 8  o 47.26355 4.653179  ?              ?        
1 1 1 1   26 9  o 31.35067 5.752356  ?              ?        
1 1 1 1   26 10 o 12.42259 5.829070  ?              ?        
1 1 1 1   26 11 o 11.01791 5.105258  ?              ?        
1 1 1 1   26 12 f 30.15922 4.751580  ?              ?        
1 1 1 1   26 13 o 11.98968 5.469155  ?              ?        
1 1 1 1   26 14 o 24.76925 6.731590  ?              ?        
1 1 1 1   26 15 o 21.95533 7.134209  ?              ?        
1 1 1 1   26 16 x ?        ?         ?              ?        
1 1 1 1   26 17 x ?        ?         ?              ?        
1 1 1 1   26 18 x ?        ?         ?              ?        
1 1 1 1   27 0  x ?        ?         ?              ?        
1 1 1 1   27 1  o 54.28402 6.176728  ?              ?        
1 1 1 1   27 2  o 15.91700 7.193231  ?              ?        
1 1 1 1   27 3  o 29.72036 8.073525  ?              ?        
1 1 1 1   27 4  o 22.41250 6.833199  ?              ?        
1 1 1 1   27 5  o 20.52640 6.686868  ?              ?        
1 1 1 1   27 6  o 47.58666 4.530238  ?              ?        
1 1 1 1   27 7  o 43.91394 4.395788  ?              ?        
1 1 1 1   27 8  o 41.12555 4.198927  ?              ?        
1 1 1 1   27 9  o 10.07566 4.680183  ?              ?        
1 1 1 1   27 10 o 31.14619 7.454906  ?              ?        
1 1 1 1   27 11 o 53.98200 5.455137  ?              ?        
1 1 1 1   27 12 o 18.52163 6.780006  ?              ?        
1 1 1 1   27 13 o 30.94081 7.229442  ?              ?        
1 1 1 1   27 14 x ?        ?         ?              ?        
1 1 1 1   27 15 x ?        ?         ?              ?        
1 1 1 1   28 0  x ?        ?         ?              ?        
1 1 1 1   28 1  o 56.69272 4.814706  ?              ?        
1 1 1 1   28 2  o 25.33234 7.063530  ?              ?        
1 1 1 1   28 3  o 14.09962 6.134554  ?              ?        
1 1 1 1   28 4  f 23.13592 6.778668  ?              ?        
1 1 1 1   28 5  o 23.00004 7.100031  ?              ?        
1 1 1 1   28 6  o 19.71329 7.017216  ?              ?        
1 1 1 1   28 7  x ?        ?         ?              ?        
1 1 1 1   28 8  x ?        ?         ?              ?        
1 1 1 1   28 9  x ?        ?         ?              ?        
1 1 1 1   28 10 x ?        ?         ?              ?        
1 1 1 1   28 11 x ?        ?         ?              ?        
1 1 1 1   28 12 x ?        ?         ?              ?        
1 1 1 1   28 13 x ?        ?         ?              ?        
1 1 1 1   29 0  x ?        ?         ?              ?        
1 1 1 1   29 1  x ?        ?         ?              ?        
1 1 1 1   29 2  x ?        ?         ?              ?        
1 1 1 1   29 3  x ?        ?         ?              ?        
1 1 1 1   29 4  x ?        ?         ?              ?        
1 1 1 1   29 5  x ?        ?         ?              ?        
1 1 1 1   29 6  x ?        ?         ?              ?        
1 1 1 1   29 7  x ?        ?         ?              ?        
1 1 1 1   29 8  x ?        ?         ?              ?        
1 1 1 1   29 9  x ?        ?         ?              ?        
1 1 1 1   30 0  x ?        ?         ?              ?        
1 1 1 1   30 1  x ?        ?         ?              ?        
1 1 1 1   30 2  x ?        ?         ?              ?        
1 1 1 1   30 3  x ?        ?         ?              ?        
1 1 1 2   0  0  o 149.5787 2.024920  -0.000000      0.000000 
1 1 1 2   0  1  o 146.6646 2.819474  -0.000000      0.000000 
1 1 1 2   0  2  o 7.309511 1.095269  -0.000000      0.000000 
1 1 1 2   0  3  o 136.5288 2.637275  -0.000000      0.000000 
1 1 1 2   0  4  o 113.7057 1.613361  -0.000000      0.000000 
1 1 1 2   0  5  o 41.87362 0.9315793 -0.000000      0.000000 
1 1 1 2   0  6  o 61.50412 1.096567  -0.000000      0.000000 
1 1 1 2   0  7  o 131.7445 1.887973  -0.000000      0.000000 
1 1 1 2   0  8  o 198.5041 2.737766  -0.000000      0.000000 
1 1 1 2   0  9  o 91.44029 1.491150  -0.000000      0.000000 
1 1 1 2   0  10 o 165.6022 2.365064  -0.000000      0.000000 
1 1 1 2   0  11 o 127.2756 2.919864  -0.000000      0.000000 
1 1 1 2   0  12 o 268.1658 3.660210  -0.000000      0.000000 
1 1 1 2   0  13 o 283.2960 5.393244  -0.000000      0.000000 
1 1 1 2   0  14 o 120.9837 1.956476  -0.000000      0.000000 
1 1 1 2   0  15 o 243.1822 3.401162  -0.000000      0.000000 
1 1 1 2   0  16 o 243.8977 3.442953  -0.000000      0.000000 
1 1 1 2   0  17 o 172.1425 2.648519  -0.000000      0.000000 
1 1 1 2   0  18 o 183.7909 2.785722  -0.000000      0.000000 
1 1 1 2   0  19 o 63.86689 2.002821  -0.000000      0.000000 
1 1 1 2   0  20 o 154.4181 3.897755  -0.000000      0.000000 
1 1 1 2   0  21 o 141.1377 2.459452  -0.000000      0.000000 
1 1 1 2   0  22 o 35.34516 2.773974  -0.000000      0.000000 
1 1 1 2   0  23 o 9.821140 5.525382  -0.000000      0.000000 
1 1 1 2   0  24 o 84.71481 2.302539  -0.000000      0.000000 
1 1 1 2   0  25 x ?        ?         ?              ?        
1 1 1 2   0  26 o 98.74213 2.535323  -0.000000      0.000000 
1 1 1 2   0  27 o 74.66881 2.824436  -0.000000      0.000000 
1 1 1 2   0  28 x ?        ?         ?              ?        
1 1 1 2   0  29 o 12.86608 8.152712  -0.000000      0.000000 
1 1 1 2   0  30 o 60.99820 3.264814  -0.000000      0.000000 
1 1 1 2   0  31 o 7.395143 5.135345  -0.000000      0.000000 
1 1 1 2   0  32 x ?        ?         ?              ?        
1 1 1 2   0  33 o 8.043042 5.321248  -0.000000      0.000000 
1 1 1 2   0  34 o 8.516385 5.529812  -0.000000      0.000000 
1 1 1 2   0  35 o 9.360981 5.819436  -0.000000      0.000000 
1 1 1 2   1  0  o 107.4903 1.158173  -10.50484      2.316347 
1 1 1 2   1  1  o 170.6550 2.344283  -1.587646      4.688566 
1 1 1 2   1  2  o 108.3016 1.558384  ?              ?        
1 1 1 2   1  3  o 40.55945 1.343774  ?              ?        
1 1 1 2   1  4  o 62.51564 0.8263893 -0.8230705     1.652779 
1 1 1 2   1  5  o 248.1434 3.371111  ?              ?        
1 1 1 2   1  6  o 441.1107 4.167796  -20.88892      8.335592 
1 1 1 2   1  7  o 52.89805 1.113979  ?              ?        
1 1 1 2   1  8  o 230.6165 2.244946  3.349045       4.489892 
1 1 1 2   1  9  o 131.7246 1.406510  0.3330994      2.813020 
1 1 1 2   1  10 o 148.4167 1.925086  -10.53763      3.850173 
1 1 1 2   1  11 o 198.3118 2.495009  1.194763       4.990017 
1 1 1 2   1  12 o 213.5528 2.123453  -0.7052002     4.246906 
1 1 1 2   1  13 o 566.6086 7.575873  -13.97357      15.15175 
1 1 1 2   1  14 o 104.1397 1.302855  2.296661       2.605710 
1 1 1 2   1  15 f 354.9764 3.406091  3.607544       6.812183 
1 1 1 2   1  16 o 318.8673 3.096837  -2.199341      6.193675 
1 1 1 2   1  17 o 162.8411 1.798460  -4.710678      3.596920 
1 1 1 2   1  18 o 92.60423 1.403749  1.814613       2.807498 
1 1 1 2   1  19 o 123.2444 2.341016  ?              ?        
1 1 1 2   1  20 o 243.0681 3.660763  1.795013       7.321526 
1 1 1 2   1  21 o 276.0554 2.804025  3.830872       5.608049 
1 1 1 2   1  22 o 180.0386 2.497574  4.919556       4.995148 
1 1 1 2   1  23 o 97.63446 1.802574  0.5021515      3.605148 
1 1 1 2   1  24 o 97.55440 1.674663  -1.907036      3.349325 
1 1 1 2   1  25 o 89.30469 3.857225  ?              ?        
1 1 1 2   1  26 f 134.4880 1.926837  5.731873       3.853674 
1 1 1 2   1  27 o 80.01564 1.972925  5.214317       3.945849 
1 1 1 2   1  28 o 90.79742 2.003149  5.429909       4.006299 
1 1 1 2   1  29 o 13.66408 4.362314  -0.2624617     8.724627 
1 1 1 2   1  30 f 89.91714 2.079267  -0.1801453     4.158533 
1 1 1 2   1  31 o 66.88641 2.591234  -0.2277908     5.182467 
1 1 1 2   1  32 o 47.53806 3.449605  ?              ?        
1 1 1 2   1  33 o 15.08147 3.909270  -0.9361315     7.818540 
1 1 1 2   1  34 o 39.88882 2.553560  -11.17048      5.107119 
1 1 1 2   1  35 o 25.02382 3.365882  -4.207836      6.731763 
1 1 1 2   2  0  o 209.9972 2.905921  -10.40106      5.811843 
1 1 1 2   2  1  o 152.0921 2.164974  -3.081726      4.329948 
1 1 1 2   2  2  x ?        ?         ?              ?        
1 1 1 2   2  3  o 126.7621 1.880272  5.358139       3.760545 
1 1 1 2   2  4  o 67.78681 1.327729  -8.622929      2.655458 
1 1 1 2   2  5  o 125.5966 1.636817  -8.560646      3.273635 
1 1 1 2   2  6  o 251.9278 3.486724  ?              ?        
1 1 1 2   2  7  o 216.1419 3.074077  ?              ?        
1 1 1 2   2  8  o 134.5854 1.494979  -2.330231      2.989957 
1 1 1 2   2  9  o 104.7159 1.505673  -3.053658      3.011346 
1 1 1 2   2  10 o 204.8088 2.548298  -5.927719      5.096595 
1 1 1 2   2  11 f 289.6974 2.819336  6.043671       5.638671 
1 1 1 2   2  12 o 92.53355 1.542054  -1.557747      3.084107 
1 1 1 2   2  13 o 97.67034 1.635686  0.6705322      3.271372 
1 1 1 2   2  14 o 316.2496 3.072772  7.837006       6.145543 
1 1 1 2   2  15 o 121.8087 2.328585  ?              ?        
1 1 1 2   2  16 o 101.7031 1.464987  7.581329       2.929975 
1 1 1 2   2  17 o 203.1702 2.147644  3.174942       4.295289 
1 1 1 2   2  18 o 101.0649 1.510362  -6.682838      3.020723 
1 1 1 2   2  19 o 124.8441 1.619939  -0.3126297     3.239878 
1 1 1 2   2  20 f 143.6983 2.631946  -0.7364502     5.263893 
1 1 1 2   2  21 o 103.3139 1.576923  -0.5507431     3.153845 
1 1 1 2   2  22 o 143.2356 2.242608  2.955444       4.485215 
1 1 1 2   2  23 o 60.55238 1.716501  -2.519753      3.433002 
1 1 1 2   2  24 o 99.73275 1.700510  0.8875885      3.401020 
1 1 1 2   2  25 o 137.7697 2.764246  4.084518       5.528492 
1 1 1 2   2  26 o 19.73175 4.116080  -2.110460      8.232160 
1 1 1 2   2  27 o 139.9290 2.042071  0.9085083E-01  4.084142 
1 1 1 2   2  28 o 110.6374 2.024973  -6.067253      4.049946 
1 1 1 2   2  29 o 34.50781 4.287704  -10.76037      8.575409 
1 1 1 2   2  30 o 76.93473 2.114657  -8.666901      4.229314 
1 1 1 2   2  31 o 30.71754 4.012992  -23.10348      8.025985 
1 1 1 2   2  32 o 35.53189 2.736389  -4.033916      5.472778 
1 1 1 2   2  33 o 77.88411 2.930660  ?              ?        
1 1 1 2   2  34 o 45.41098 3.343150  ?              ?        
1 1 1 2   2  35 o 32.74384 4.029967  ?              ?        
1 1 1 2   3  0  o 108.2502 1.763645  13.67325       3.527289 
1 1 1 2   3  1  o 203.8070 2.847022  1.300720       5.694044 
1 1 1 2   3  2  x ?        ?         ?              ?        
1 1 1 2   3  3  o 142.1322 2.136615  12.25011       4.273229 
1 1 1 2   3  4  o 172.3894 2.503891  0.9667053      5.007782 
1 1 1 2   3  5  o 369.4403 4.991081  4.981720       9.982162 
1 1 1 2   3  6  o 177.7820 2.237379  -8.387009      4.474757 
1 1 1 2   3  7  o 56.55183 1.670715  -6.083195      3.341430 
1 1 1 2   3  8  o 126.9489 1.891696  -10.52151      3.783393 
1 1 1 2   3  9  o 93.26373 1.654431  -5.186600      3.308861 
1 1 1 2   3  10 o 267.5824 2.674304  -12.71634      5.348608 
1 1 1 2   3  11 o 90.89687 1.701040  -4.249512      3.402080 
1 1 1 2   3  12 o 455.7999 5.373988  -3.216797      10.74798 
1 1 1 2   3  13 o 254.2064 2.565722  0.1750336      5.131444 
1 1 1 2   3  14 o 152.3417 1.754121  -3.521286      3.508242 
1 1 1 2   3  15 o 110.3982 1.515732  2.243362       3.031463 
1 1 1 2   3  16 o 222.3030 2.318038  2.964340       4.636077 
1 1 1 2   3  17 o 55.40411 1.662727  5.795818       3.325454 
1 1 1 2   3  18 o 96.39326 1.568404  -8.085785      3.136808 
1 1 1 2   3  19 o 53.98690 1.979186  -5.271927      3.958371 
1 1 1 2   3  20 o 144.5501 2.374479  2.146362       4.748958 
1 1 1 2   3  21 o 70.36728 2.101135  -6.032883      4.202270 
1 1 1 2   3  22 o 21.35031 3.670743  6.217163       7.341486 
1 1 1 2   3  23 o 109.9407 1.724268  -1.484818      3.448537 
1 1 1 2   3  24 o 128.3608 1.844010  0.2727661      3.688020 
1 1 1 2   3  25 o 138.7753 2.415125  -1.842590      4.830250 
1 1 1 2   3  26 o 99.57809 1.912068  10.30128       3.824135 
1 1 1 2   3  27 o 103.5965 1.996046  3.080147       3.992092 
1 1 1 2   3  28 o 99.46815 2.627193  -11.39754      5.254386 
1 1 1 2   3  29 o 61.03785 3.320926  -14.85644      6.641853 
1 1 1 2   3  30 o 64.54985 2.289665  -4.653915      4.579329 
1 1 1 2   3  31 o 69.47782 2.142948  -15.64290      4.285897 
1 1 1 2   3  32 o 18.64612 4.030518  -4.967020      8.061035 
1 1 1 2   3  33 o 33.90164 2.859469  -7.827915      5.718938 
1 1 1 2   3  34 o 40.20664 3.723559  ?              ?        
1 1 1 2   3  35 o 10.44271 3.338269  -2.958064      6.676537 
1 1 1 2   4  0  o 210.1745 2.976108  0.4400177      5.952216 
1 1 1 2   4  1  o 118.8173 1.908349  7.120811       3.816699 
1 1 1 2   4  2  x ?        ?         ?              ?        
1 1 1 2   4  3  o 321.0974 4.385549  12.02893       8.771098 
1 1 1 2   4  4  o 325.8633 4.452514  4.223999       8.905028 
1 1 1 2   4  5  o 61.22942 2.236956  ?              ?        
1 1 1 2   4  6  o 146.4030 3.308564  ?              ?        
1 1 1 2   4  7  o 224.2748 3.271168  -0.2505798     6.542337 
1 1 1 2   4  8  o 50.22775 2.784503  ?              ?        
1 1 1 2   4  9  o 83.96097 1.937825  ?              ?        
1 1 1 2   4  10 o 184.4688 2.816102  ?              ?        
1 1 1 2   4  11 o 187.3190 2.564357  -3.674927      5.128714 
1 1 1 2   4  12 o 279.5616 2.822771  0.1119385      5.645542 
1 1 1 2   4  13 o 452.8120 4.359396  5.732330       8.718791 
1 1 1 2   4  14 o 104.4159 1.607444  -0.6797867     3.214887 
1 1 1 2   4  15 o 175.1979 2.014010  -4.563065      4.028020 
1 1 1 2   4  16 o 87.75825 1.642885  -3.999481      3.285770 
1 1 1 2   4  17 o 72.97592 1.700402  -0.2987289     3.400803 
1 1 1 2   4  18 o 105.4470 1.812838  0.7726059      3.625677 
1 1 1 2   4  19 o 127.5050 2.293950  -1.846893      4.587900 
1 1 1 2   4  20 o 28.68512 2.642015  5.454678       5.284031 
1 1 1 2   4  21 o 22.82878 3.308926  8.683077       6.617852 
1 1 1 2   4  22 o 16.03361 4.106828  -1.769026      8.213655 
1 1 1 2   4  23 o 118.6478 1.815334  4.058243       3.630667 
1 1 1 2   4  24 o 101.0479 1.837959  2.918060       3.675918 
1 1 1 2   4  25 o 150.2717 2.103404  1.805008       4.206808 
1 1 1 2   4  26 o 62.77348 2.266565  -1.774612      4.533129 
1 1 1 2   4  27 o 54.19001 2.471813  3.132458       4.943626 
1 1 1 2   4  28 o 89.44351 2.644139  -3.502396      5.288278 
1 1 1 2   4  29 o 72.28690 2.951702  0.7230148      5.903404 
1 1 1 2   4  30 o 16.35501 4.756281  4.256382       9.512562 
1 1 1 2   4  31 o 42.34813 3.021782  -13.95582      6.043564 
1 1 1 2   4  32 o 52.19061 2.411329  -22.94459      4.822659 
1 1 1 2   4  33 o 29.82249 3.159122  -7.978586      6.318243 
1 1 1 2   4  34 o 16.39950 3.938958  -8.529058      7.877916 
1 1 1 2   4  35 o 34.35678 2.922244  -9.869974      5.844489 
1 1 1 2   5  0  o 389.1170 5.283427  -16.87350      10.56685 
1 1 1 2   5  1  x ?        ?         ?              ?        
1 1 1 2   5  2  o 464.7444 8.855937  ?              ?        
1 1 1 2   5  3  o 128.0893 3.009883  ?              ?        
1 1 1 2   5  4  o 68.03452 1.685016  3.722923       3.370033 
1 1 1 2   5  5  f 253.4601 3.612891  7.404221       7.225781 
1 1 1 2   5  6  o 68.74567 1.857405  6.473679       3.714811 
1 1 1 2   5  7  o 151.3813 3.547668  ?              ?        
1 1 1 2   5  8  o 405.7308 5.664412  31.28247       11.32882 
1 1 1 2   5  9  o 309.0919 4.379212  -6.404480      8.758425 
1 1 1 2   5  10 o 248.7488 3.148537  -7.681076      6.297074 
1 1 1 2   5  11 o 418.7542 4.956956  -7.530212      9.913913 
1 1 1 2   5  12 o 166.7158 2.414987  -3.731140      4.829974 
1 1 1 2   5  13 f 388.6298 3.816473  -9.308746      7.632946 
1 1 1 2   5  14 o 373.4442 3.684720  -1.256836      7.369441 
1 1 1 2   5  15 o 124.5021 1.832450  4.290375       3.664900 
1 1 1 2   5  16 o 84.03717 1.823423  1.600594       3.646846 
1 1 1 2   5  17 o 198.4193 2.585806  9.807358       5.171612 
1 1 1 2   5  18 o 113.3612 1.785761  1.042114       3.571521 
1 1 1 2   5  19 o 97.78864 2.250342  0.6090851      4.500683 
1 1 1 2   5  20 o 45.99739 2.852162  5.842529       5.704324 
1 1 1 2   5  21 o 120.4795 2.246767  1.390198       4.493534 
1 1 1 2   5  22 o 57.09205 1.961700  3.300133       3.923401 
1 1 1 2   5  23 o 74.22812 1.887233  0.5238724      3.774466 
1 1 1 2   5  24 o 75.19986 1.957373  5.536362       3.914747 
1 1 1 2   5  25 o 98.04400 1.982213  -2.020264      3.964426 
1 1 1 2   5  26 o 125.1548 2.101011  -1.863998      4.202023 
1 1 1 2   5  27 o 50.64651 3.105308  4.094879       6.210616 
1 1 1 2   5  28 f 84.24210 2.254843  2.051346       4.509686 
1 1 1 2   5  29 o 72.71262 3.295008  -23.25713      6.590016 
1 1 1 2   5  30 o 49.36452 4.306415  ?              ?        
1 1 1 2   5  31 o 70.21724 2.635912  -40.40193      5.271824 
1 1 1 2   5  32 o 18.52267 4.206707  -2.920536      8.413414 
1 1 1 2   5  33 o 19.46437 4.400926  -1.325846      8.801852 
1 1 1 2   5  34 o 31.56950 3.359789  -10.67631      6.719578 
1 1 1 2   6  0  o 232.1192 4.732430  ?              ?        
1 1 1 2   6  1  o 50.80579 2.363551  ?              ?        
1 1 1 2   6  2  o 33.09612 1.894546  ?              ?        
1 1 1 2   6  3  o 100.6196 2.827491  ?              ?        
1 1 1 2   6  4  o 143.2573 2.414013  6.063583       4.828025 
1 1 1 2   6  5  o 193.9432 2.986636  -4.181793      5.973271 
1 1 1 2   6  6  o 108.9123 2.169176  1.556808       4.338353 
1 1 1 2   6  7  o 137.4591 2.443988  -3.319443      4.887976 
1 1 1 2   6  8  x ?        ?         ?              ?        
1 1 1 2   6  9  f 389.1550 4.697361  -0.7778931E-01 9.394721 
1 1 1 2   6  10 o 199.3699 2.783612  6.500046       5.567224 
1 1 1 2   6  11 o 196.9656 2.736228  -0.4859619     5.472456 
1 1 1 2   6  12 o 165.7510 2.545155  8.913559       5.090310 
1 1 1 2   6  13 o 195.7771 2.845381  11.82710       5.690762 
1 1 1 2   6  14 o 111.1966 2.308516  -3.704552      4.617031 
1 1 1 2   6  15 o 277.4011 3.566791  -6.250824      7.133582 
1 1 1 2   6  16 o 459.6378 6.378856  -4.070526      12.75771 
1 1 1 2   6  17 o 83.85991 1.940787  1.578117       3.881573 
1 1 1 2   6  18 o 182.0894 2.889230  ?              ?        
1 1 1 2   6  19 o 93.03380 1.861149  0.3441696      3.722298 
1 1 1 2   6  20 o 45.07852 2.874357  -0.6820564     5.748715 
1 1 1 2   6  21 o 159.0260 2.099754  3.183350       4.199508 
1 1 1 2   6  22 o 126.3449 1.944309  -3.430702      3.888617 
1 1 1 2   6  23 o 205.4829 2.440430  5.755768       4.880859 
1 1 1 2   6  24 o 76.33807 2.114192  -4.125412      4.228385 
1 1 1 2   6  25 o 99.42760 2.125361  -4.716492      4.250722 
1 1 1 2   6  26 o 125.3350 2.404361  -4.343307      4.808722 
1 1 1 2   6  27 o 104.6064 2.232223  -6.707901      4.464446 
1 1 1 2   6  28 o 51.49410 2.751297  ?              ?        
1 1 1 2   6  29 o 62.47109 2.521648  -11.99226      5.043297 
1 1 1 2   6  30 o 60.90813 2.767442  -15.52614      5.534883 
1 1 1 2   6  31 o 23.12479 3.619999  -18.27778      7.239999 
1 1 1 2   6  32 o 31.22815 4.709572  ?              ?        
1 1 1 2   6  33 o 21.32893 3.934691  -17.90470      7.869383 
1 1 1 2   6  34 o 15.46609 5.750542  ?              ?        
1 1 1 2   7  0  o 193.0351 2.961461  5.255646       5.922921 
1 1 1 2   7  1  f 137.3340 3.340091  ?              ?        
1 1 1 2   7  2  o 125.2755 2.248071  ?              ?        
1 1 1 2   7  3  o 62.61227 2.789895  ?              ?        
1 1 1 2   7  4  o 157.5173 3.726190  ?              ?        
1 1 1 2   7  5  o 131.5258 2.391711  0.2347260      4.783423 
1 1 1 2   7  6  o 32.21127 2.614362  -1.023533      5.228724 
1 1 1 2   7  7  o 135.3654 2.523379  -6.927628      5.046758 
1 1 1 2   7  8  x ?        ?         ?              ?        
1 1 1 2   7  9  o 210.2663 3.336689  0.5838470      6.673378 
1 1 1 2   7  10 o 42.91764 2.647207  -9.112854      5.294415 
1 1 1 2   7  11 o 165.3764 2.532250  -3.786026      5.064500 
1 1 1 2   7  12 o 228.4774 3.111471  -0.2856293     6.222942 
1 1 1 2   7  13 o 93.47363 4.011317  ?              ?        
1 1 1 2   7  14 o 201.1668 3.328073  4.935287       6.656146 
1 1 1 2   7  15 o 224.8141 3.185422  4.571991       6.370845 
1 1 1 2   7  16 f 116.0458 2.500051  -1.367508      5.000103 
1 1 1 2   7  17 o 117.3627 2.461475  ?              ?        
1 1 1 2   7  18 o 123.2533 2.502562  -1.049911      5.005125 
1 1 1 2   7  19 o 83.79567 2.857479  12.78746       5.714958 
1 1 1 2   7  20 o 161.9054 2.686322  -7.570114      5.372643 
1 1 1 2   7  21 o 131.1917 2.029940  1.924225       4.059881 
1 1 1 2   7  22 f 81.27048 2.007201  6.342514       4.014401 
1 1 1 2   7  23 o 80.19148 2.086606  7.108597       4.173213 
1 1 1 2   7  24 o 77.91692 2.652163  1.419983       5.304325 
1 1 1 2   7  25 o 49.10332 3.098339  0.7560692      6.196677 
1 1 1 2   7  26 o 97.38570 2.331571  -2.764290      4.663142 
1 1 1 2   7  27 o 73.64314 2.255380  ?              ?        
1 1 1 2   7  28 o 52.53053 3.075538  -6.231014      6.151076 
1 1 1 2   7  29 o 56.90302 2.735419  -13.95676      5.470839 
1 1 1 2   7  30 o 71.13432 2.411261  -21.58609      4.822523 
1 1 1 2   7  31 o 55.63314 2.338151  -13.98360      4.676301 
1 1 1 2   7  32 o 21.90673 3.577596  -18.38956      7.155191 
1 1 1 2   7  33 o 37.37124 3.179325  -17.22769      6.358649 
1 1 1 2   7  34 o 24.68747 4.796571  0.8199158      9.593142 
1 1 1 2   8  0  o 70.57538 2.886720  ?              ?        
1 1 1 2   8  1  o 106.5134 3.137449  ?              ?        
1 1 1 2   8  2  o 179.5344 2.873678  ?              ?        
1 1 1 2   8  3  o 36.29132 3.379030  ?              ?        
1 1 1 2   8  4  f 154.8079 3.793494  ?              ?        
1 1 1 2   8  5  o 82.14736 2.219074  3.210953       4.438149 
1 1 1 2   8  6  o 203.9821 3.230060  -9.869537      6.460120 
1 1 1 2   8  7  o 147.1191 2.709751  -3.436859      5.419502 
1 1 1 2   8  8  x ?        ?         ?              ?        
1 1 1 2   8  9  o 523.6679 7.192232  -4.050293      14.38446 
1 1 1 2   8  10 o 93.69627 2.573282  -12.09865      5.146565 
1 1 1 2   8  11 o 194.6731 3.320353  -11.42140      6.640706 
1 1 1 2   8  12 o 211.7174 3.502598  5.801041       7.005195 
1 1 1 2   8  13 o 170.8570 2.717354  -11.56038      5.434708 
1 1 1 2   8  14 o 148.8004 2.656975  -3.490494      5.313950 
1 1 1 2   8  15 f 167.0165 3.046888  ?              ?        
1 1 1 2   8  16 o 188.8390 2.944990  1.437607       5.889981 
1 1 1 2   8  17 o 177.2954 2.832292  -4.037064      5.664583 
1 1 1 2   8  18 o 141.6110 3.053353  2.589752       6.106707 
1 1 1 2   8  19 o 113.9731 2.569945  -2.359581      5.139890 
1 1 1 2   8  20 o 157.8351 2.748878  1.842804       5.497757 
1 1 1 2   8  21 o 61.84337 2.886096  -2.382248      5.772192 
1 1 1 2   8  22 o 100.0736 2.658768  10.74665       5.317536 
1 1 1 2   8  23 o 107.3246 2.788909  3.719147       5.577818 
1 1 1 2   8  24 o 34.62691 8.936666  ?              ?        
1 1 1 2   8  25 o 134.6165 2.998389  3.575302       5.996778 
1 1 1 2   8  26 o 41.25600 2.905617  ?              ?        
1 1 1 2   8  27 o 71.56111 3.431400  -5.477173      6.862800 
1 1 1 2   8  28 o 72.06517 3.345485  -15.92861      6.690970 
1 1 1 2   8  29 o 61.64020 3.738234  -3.422436      7.476467 
1 1 1 2   8  30 o 39.84883 4.341069  -12.86675      8.682137 
1 1 1 2   8  31 o 14.15295 4.080772  -2.021043      8.161545 
1 1 1 2   8  32 o 43.81882 3.051854  -22.46765      6.103708 
1 1 1 2   8  33 o 33.83551 4.475722  -21.03695      8.951444 
1 1 1 2   8  34 o 24.46534 4.310565  -13.75912      8.621130 
1 1 1 2   9  0  o 274.6720 5.700113  ?              ?        
1 1 1 2   9  1  o 48.60192 3.187206  ?              ?        
1 1 1 2   9  2  o 188.1636 3.042910  ?              ?        
1 1 1 2   9  3  o 89.29225 3.247305  ?              ?        
1 1 1 2   9  4  o 73.46670 3.303230  ?              ?        
1 1 1 2   9  5  o 181.9065 3.102107  -15.61848      6.204215 
1 1 1 2   9  6  o 329.5720 4.741493  -0.7264709     9.482985 
1 1 1 2   9  7  o 199.4669 3.274916  4.043457       6.549832 
1 1 1 2   9  8  x ?        ?         ?              ?        
1 1 1 2   9  9  o 64.31074 4.002971  ?              ?        
1 1 1 2   9  10 o 88.01029 2.763956  0.7348175      5.527912 
1 1 1 2   9  11 o 263.6743 4.069187  9.021210       8.138374 
1 1 1 2   9  12 o 367.7656 4.585064  -5.837006      9.170128 
1 1 1 2   9  13 o 138.4237 3.040548  ?              ?        
1 1 1 2   9  14 o 204.7247 3.138943  7.814774       6.277886 
1 1 1 2   9  15 o 194.6741 3.063674  9.670914       6.127349 
1 1 1 2   9  16 o 84.80415 3.081441  -2.789223      6.162881 
1 1 1 2   9  17 o 54.30524 3.199335  -8.769249      6.398669 
1 1 1 2   9  18 o 78.39578 2.677965  9.744049       5.355931 
1 1 1 2   9  19 o 42.64331 3.367400  8.306286       6.734800 
1 1 1 2   9  20 o 130.3189 2.676827  0.6751404      5.353653 
1 1 1 2   9  21 o 70.57448 2.897460  -1.173820      5.794920 
1 1 1 2   9  22 o 57.22398 3.346326  13.61835       6.692653 
1 1 1 2   9  23 o 25.16355 5.210184  1.569599       10.42037 
1 1 1 2   9  24 o 78.10191 3.253764  -4.758926      6.507528 
1 1 1 2   9  25 o 62.01987 2.631362  ?              ?        
1 1 1 2   9  26 o 65.82604 3.578677  -3.904266      7.157353 
1 1 1 2   9  27 o 83.73030 3.317506  -9.149323      6.635013 
1 1 1 2   9  28 o 53.03136 4.591851  -10.26658      9.183702 
1 1 1 2   9  29 f 84.59948 5.661495  ?              ?        
1 1 1 2   9  30 o 42.67263 4.298621  -26.17898      8.597242 
1 1 1 2   9  31 o 60.65089 2.841390  -39.38763      5.682779 
1 1 1 2   9  32 o 15.96390 4.642726  0.5290022      9.285453 
1 1 1 2   9  33 o 31.89746 3.949969  -21.70850      7.899937 
1 1 1 2   10 0  x ?        ?         ?              ?        
1 1 1 2   10 1  x ?        ?         ?              ?        
1 1 1 2   10 2  o 121.3821 3.594584  ?              ?        
1 1 1 2   10 3  x ?        ?         ?              ?        
1 1 1 2   10 4  o 469.0623 9.280361  ?              ?        
1 1 1 2   10 5  o 388.0666 7.767994  ?              ?        
1 1 1 2   10 6  o 91.23195 2.601977  5.407265       5.203954 
1 1 1 2   10 7  o 396.4379 5.613900  -1.685577      11.22780 
1 1 1 2   10 8  o 278.0867 4.274619  -6.987488      8.549237 
1 1 1 2   10 9  o 145.4545 4.246171  ?              ?        
1 1 1 2   10 10 o 309.8745 6.542084  ?              ?        
1 1 1 2   10 11 o 399.7630 5.732147  8.785126       11.46429 
1 1 1 2   10 12 o 152.3325 3.217922  2.381836       6.435843 
1 1 1 2   10 13 o 73.41246 3.376603  -10.35505      6.753205 
1 1 1 2   10 14 o 352.5757 4.544833  1.133881       9.089666 
1 1 1 2   10 15 o 170.1636 2.908440  -1.898209      5.816881 
1 1 1 2   10 16 o 84.44100 2.762016  -1.940399      5.524031 
1 1 1 2   10 17 o 27.29570 4.512781  -10.68164      9.025562 
1 1 1 2   10 18 o 159.4920 2.885070  2.083420       5.770140 
1 1 1 2   10 19 o 295.8527 4.051631  0.2132874      8.103263 
1 1 1 2   10 20 f 85.77095 2.875280  3.986588       5.750560 
1 1 1 2   10 21 o 62.66947 3.412127  -2.271439      6.824254 
1 1 1 2   10 22 o 42.59490 3.979330  11.66534       7.958660 
1 1 1 2   10 23 o 139.3986 3.217206  2.199585       6.434413 
1 1 1 2   10 24 o 52.22145 4.158724  -0.2076378     8.317448 
1 1 1 2   10 25 o 120.1935 3.111551  -11.12328      6.223102 
1 1 1 2   10 26 o 128.7086 3.141798  -2.428040      6.283597 
1 1 1 2   10 27 o 27.31579 5.133052  -8.014675      10.26610 
1 1 1 2   10 28 o 57.59758 6.898164  ?              ?        
1 1 1 2   10 29 o 58.98664 6.179106  ?              ?        
1 1 1 2   10 30 o 45.99100 3.706026  -24.50341      7.412053 
1 1 1 2   10 31 o 32.43457 4.090091  -30.52304      8.180182 
1 1 1 2   10 32 o 26.13645 3.993675  -20.91539      7.987350 
1 1 1 2   10 33 o 38.75940 4.908777  ?              ?        
1 1 1 2   11 0  f 247.6760 5.430175  ?              ?        
1 1 1 2   11 1  o 238.7245 3.771883  ?              ?        
1 1 1 2   11 2  o 376.2056 5.338447  ?              ?        
1 1 1 2   11 3  o 148.9629 2.879142  ?              ?        
1 1 1 2   11 4  o 141.2956 4.032529  ?              ?        
1 1 1 2   11 5  o 80.69405 3.920212  ?              ?        
1 1 1 2   11 6  o 151.1610 4.254757  ?              ?        
1 1 1 2   11 7  o 182.9509 3.307529  -10.53976      6.615059 
1 1 1 2   11 8  o 75.02750 3.187674  -6.440445      6.375347 
1 1 1 2   11 9  o 60.45921 3.617911  5.637638       7.235822 
1 1 1 2   11 10 o 134.6487 3.106504  1.011322       6.213008 
1 1 1 2   11 11 o 227.7297 3.829111  -6.460236      7.658223 
1 1 1 2   11 12 o 104.6406 3.178447  8.782043       6.356894 
1 1 1 2   11 13 o 288.6275 3.941939  6.469269       7.883877 
1 1 1 2   11 14 o 68.77943 2.968929  6.153030       5.937859 
1 1 1 2   11 15 o 17.83722 4.635314  -7.154556      9.270629 
1 1 1 2   11 16 o 128.6042 2.744744  -1.636826      5.489487 
1 1 1 2   11 17 o 95.49535 2.767580  7.121979       5.535160 
1 1 1 2   11 18 o 119.4255 2.772124  -10.55765      5.544248 
1 1 1 2   11 19 o 21.72563 5.329360  -1.380430      10.65872 
1 1 1 2   11 20 o 24.07756 4.896051  22.82413       9.792102 
1 1 1 2   11 21 o 33.95911 4.931172  0.7713051      9.862345 
1 1 1 2   11 22 o 80.17496 2.950451  ?              ?        
1 1 1 2   11 23 o 59.53225 3.712787  3.714989       7.425573 
1 1 1 2   11 24 o 130.6900 3.123809  -3.125900      6.247619 
1 1 1 2   11 25 o 57.65748 4.574798  -3.693882      9.149595 
1 1 1 2   11 26 o 49.38298 4.787957  -13.05251      9.575914 
1 1 1 2   11 27 o 52.20012 3.741976  6.189941       7.483953 
1 1 1 2   11 28 o 74.49441 6.077237  ?              ?        
1 1 1 2   11 29 f 77.33665 5.165352  ?              ?        
1 1 1 2   11 30 o 40.41246 4.286272  -35.04150      8.572543 
1 1 1 2   11 31 o 29.30288 3.907757  -22.51227      7.815515 
1 1 1 2   11 32 o 31.53412 5.133130  ?              ?        
1 1 1 2   12 0  o 531.2478 10.38048  ?              ?        
1 1 1 2   12 1  o 167.7751 3.107104  ?              ?        
1 1 1 2   12 2  o 70.49821 2.816387  ?              ?        
1 1 1 2   12 3  o 101.1833 2.740620  ?              ?        
1 1 1 2   12 4  o 388.5705 7.853903  ?              ?        
1 1 1 2   12 5  f 241.1756 5.517555  ?              ?        
1 1 1 2   12 6  o 343.9767 7.147769  ?              ?        
1 1 1 2   12 7  o 246.5019 4.001495  10.35600       8.002990 
1 1 1 2   12 8  o 59.56837 3.719621  -2.963402      7.439242 
1 1 1 2   12 9  o 33.48832 5.688318  -2.829842      11.37664 
1 1 1 2   12 10 o 319.0560 4.824608  -4.859802      9.649216 
1 1 1 2   12 11 o 113.8677 3.215751  -1.571831      6.431502 
1 1 1 2   12 12 o 103.5925 3.159813  -3.955360      6.319625 
1 1 1 2   12 13 o 72.85342 3.454399  5.990036       6.908798 
1 1 1 2   12 14 o 122.0293 2.811106  6.951195       5.622213 
1 1 1 2   12 15 o 167.5155 2.975398  -2.716156      5.950796 
1 1 1 2   12 16 o 50.15636 3.815005  6.884079       7.630010 
1 1 1 2   12 17 o 20.99330 5.564258  -3.116764      11.12852 
1 1 1 2   12 18 o 139.8245 2.941724  3.788132       5.883448 
1 1 1 2   12 19 o 152.1119 3.059250  3.214828       6.118501 
1 1 1 2   12 20 o 100.6594 3.058115  ?              ?        
1 1 1 2   12 21 o 115.0432 3.058010  5.399025       6.116019 
1 1 1 2   12 22 o 149.6792 3.169257  -6.881943      6.338513 
1 1 1 2   12 23 o 51.25321 4.895756  10.70179       9.791512 
1 1 1 2   12 24 o 47.69257 4.918847  -7.339817      9.837694 
1 1 1 2   12 25 o 84.33942 3.562371  10.20757       7.124742 
1 1 1 2   12 26 o 44.31391 4.600072  0.6871109      9.200145 
1 1 1 2   12 27 o 64.51340 3.615626  -12.69173      7.231252 
1 1 1 2   12 28 o 25.53364 4.669096  -15.20362      9.338193 
1 1 1 2   12 29 o 18.92099 4.026018  -11.02861      8.052036 
1 1 1 2   12 30 o 18.67800 4.782162  3.794281       9.564323 
1 1 1 2   12 31 o 32.99666 5.343465  ?              ?        
1 1 1 2   12 32 o 12.63791 3.944375  3.377276       7.888751 
1 1 1 2   13 0  o 96.24436 4.037854  ?              ?        
1 1 1 2   13 1  o 19.46825 6.275833  ?              ?        
1 1 1 2   13 2  o 74.83831 2.979753  ?              ?        
1 1 1 2   13 3  o 117.9080 2.945111  ?              ?        
1 1 1 2   13 4  o 247.7316 5.647442  ?              ?        
1 1 1 2   13 5  o 117.5950 4.475674  ?              ?        
1 1 1 2   13 6  o 272.2760 6.100729  ?              ?        
1 1 1 2   13 7  o 282.1207 6.302062  ?              ?        
1 1 1 2   13 8  o 108.1116 3.233965  0.3581238      6.467930 
1 1 1 2   13 9  f 251.5994 4.135455  -5.287659      8.270910 
1 1 1 2   13 10 o 256.4088 4.183679  8.866669       8.367358 
1 1 1 2   13 11 o 172.5023 3.460953  10.43690       6.921905 
1 1 1 2   13 12 o 31.41101 5.653162  -12.14839      11.30632 
1 1 1 2   13 13 o 143.0824 4.692541  ?              ?        
1 1 1 2   13 14 o 121.0513 4.622030  ?              ?        
1 1 1 2   13 15 o 196.1912 3.235419  3.040100       6.470837 
1 1 1 2   13 16 o 119.0193 2.895114  7.060684       5.790229 
1 1 1 2   13 17 o 83.22293 3.312445  ?              ?        
1 1 1 2   13 18 o 164.5819 3.461430  ?              ?        
1 1 1 2   13 19 o 133.1191 3.038636  -5.978027      6.077272 
1 1 1 2   13 20 o 119.2478 3.046789  -0.9308243     6.093578 
1 1 1 2   13 21 o 201.2859 4.007559  2.228500       8.015119 
1 1 1 2   13 22 o 56.82549 4.109758  9.088871       8.219516 
1 1 1 2   13 23 o 43.50162 6.043110  -1.813480      12.08622 
1 1 1 2   13 24 o 72.59706 3.499588  -0.5619583     6.999177 
1 1 1 2   13 25 o 92.62592 3.102516  ?              ?        
1 1 1 2   13 26 o 30.54169 5.544425  3.380356       11.08885 
1 1 1 2   13 27 o 61.87031 3.603150  -3.791889      7.206300 
1 1 1 2   13 28 o 52.90165 6.156169  ?              ?        
1 1 1 2   13 29 f 46.97667 3.435448  ?              ?        
1 1 1 2   13 30 o 61.78041 4.781991  ?              ?        
1 1 1 2   13 31 o 24.69220 3.660954  -20.75033      7.321909 
1 1 1 2   14 0  o 95.61536 3.294468  ?              ?        
1 1 1 2   14 1  o 127.5766 3.106310  ?              ?        
1 1 1 2   14 2  f 149.4196 3.228265  ?              ?        
1 1 1 2   14 3  o 20.64035 6.872638  ?              ?        
1 1 1 2   14 4  o 126.0112 3.112525  ?              ?        
1 1 1 2   14 5  o 166.3571 4.805484  ?              ?        
1 1 1 2   14 6  o 307.8157 6.707028  ?              ?        
1 1 1 2   14 7  o 146.6948 4.679676  ?              ?        
1 1 1 2   14 8  o 126.6243 4.597775  ?              ?        
1 1 1 2   14 9  o 20.38073 8.033426  ?              ?        
1 1 1 2   14 10 o 63.37247 5.251685  ?              ?        
1 1 1 2   14 11 o 29.29961 5.800290  3.026434       11.60058 
1 1 1 2   14 12 o 197.5088 3.751074  -0.1239319     7.502148 
1 1 1 2   14 13 o 125.0365 3.314497  -6.641899      6.628994 
1 1 1 2   14 14 o 162.4772 4.838229  ?              ?        
1 1 1 2   14 15 o 179.4159 3.646625  ?              ?        
1 1 1 2   14 16 o 170.1113 3.141134  -6.221390      6.282268 
1 1 1 2   14 17 o 26.77197 5.425680  7.842775       10.85136 
1 1 1 2   14 18 o 98.47389 3.123221  -1.167404      6.246442 
1 1 1 2   14 19 o 17.36696 5.265343  6.560306       10.53069 
1 1 1 2   14 20 o 116.0355 3.261311  -7.596184      6.522622 
1 1 1 2   14 21 o 57.23422 4.037099  11.55288       8.074199 
1 1 1 2   14 22 o 29.67962 5.830234  -5.510061      11.66047 
1 1 1 2   14 23 o 90.07397 3.487103  2.809319       6.974205 
1 1 1 2   14 24 o 16.41448 5.125488  6.581217       10.25098 
1 1 1 2   14 25 o 49.78654 4.972403  ?              ?        
1 1 1 2   14 26 o 66.81123 3.329005  -9.677780      6.658011 
1 1 1 2   14 27 x ?        ?         ?              ?        
1 1 1 2   14 28 o 20.99174 7.965787  ?              ?        
1 1 1 2   14 29 o 21.71563 3.873765  -15.25325      7.747530 
1 1 1 2   14 30 o 14.71805 3.916007  -5.940985      7.832013 
1 1 1 2   14 31 o 15.14181 4.285990  8.520660       8.571980 
1 1 1 2   15 0  o 108.5919 4.732221  ?              ?        
1 1 1 2   15 1  o 315.4761 6.830899  ?              ?        
1 1 1 2   15 2  o 278.7667 6.258553  ?              ?        
1 1 1 2   15 3  o 101.9621 4.479608  ?              ?        
1 1 1 2   15 4  f 152.8554 4.672997  ?              ?        
1 1 1 2   15 5  o 153.3308 4.888792  ?              ?        
1 1 1 2   15 6  o 58.10764 5.717668  ?              ?        
1 1 1 2   15 7  o 147.2397 4.846857  ?              ?        
1 1 1 2   15 8  o 161.3148 4.921409  ?              ?        
1 1 1 2   15 9  o 93.32872 4.721911  ?              ?        
1 1 1 2   15 10 o 27.74793 8.349094  ?              ?        
1 1 1 2   15 11 o 111.7707 4.629517  ?              ?        
1 1 1 2   15 12 o 117.2447 3.362782  -2.525833      6.725564 
1 1 1 2   15 13 o 15.73882 4.890397  -4.035492      9.780793 
1 1 1 2   15 14 o 101.5064 3.429947  4.121254       6.859893 
1 1 1 2   15 15 o 200.2259 3.895123  10.71967       7.790246 
1 1 1 2   15 16 o 116.7028 3.514560  15.83915       7.029120 
1 1 1 2   15 17 o 73.45259 3.344663  -3.530998      6.689325 
1 1 1 2   15 18 o 18.90860 5.246737  -4.126698      10.49347 
1 1 1 2   15 19 o 37.79442 5.422027  2.118420       10.84405 
1 1 1 2   15 20 o 55.45879 4.363564  -15.93538      8.727129 
1 1 1 2   15 21 o 17.80405 5.392077  0.6601372      10.78415 
1 1 1 2   15 22 o 89.43823 3.573442  9.485458       7.146883 
1 1 1 2   15 23 o 18.20656 5.609946  6.671874       11.21989 
1 1 1 2   15 24 o 52.76276 4.727134  -23.57129      9.454268 
1 1 1 2   15 25 o 35.49244 6.665920  ?              ?        
1 1 1 2   15 26 o 51.13519 3.460777  -6.970722      6.921555 
1 1 1 2   15 27 o 55.62704 3.560911  -10.13145      7.121821 
1 1 1 2   15 28 o 26.07001 4.009363  -8.790281      8.018726 
1 1 1 2   15 29 o 15.08769 4.222034  9.011258       8.444069 
1 1 1 2   15 30 o 21.32172 4.710756  2.910057       9.421513 
1 1 1 2   16 0  o 46.54921 4.458686  ?              ?        
1 1 1 2   16 1  f 92.24282 3.220419  ?              ?        
1 1 1 2   16 2  o 155.6878 3.388438  ?              ?        
1 1 1 2   16 3  o 119.8964 3.220062  ?              ?        
1 1 1 2   16 4  o 123.4526 3.254580  ?              ?        
1 1 1 2   16 5  o 208.5693 3.801695  ?              ?        
1 1 1 2   16 6  o 90.10088 4.707273  ?              ?        
1 1 1 2   16 7  o 118.8387 4.745421  ?              ?        
1 1 1 2   16 8  o 180.2913 5.168243  ?              ?        
1 1 1 2   16 9  o 140.4256 4.828786  ?              ?        
1 1 1 2   16 10 o 73.09729 5.105905  ?              ?        
1 1 1 2   16 11 o 123.4431 3.405777  11.27890       6.811554 
1 1 1 2   16 12 f 127.9327 3.451221  -14.98531      6.902442 
1 1 1 2   16 13 f 150.6615 3.543599  -1.208115      7.087198 
1 1 1 2   16 14 o 98.20280 3.472990  13.69909       6.945981 
1 1 1 2   16 15 o 109.8471 3.623249  1.971191       7.246499 
1 1 1 2   16 16 o 44.31562 4.841823  -8.616207      9.683646 
1 1 1 2   16 17 o 84.37817 3.409637  7.452293       6.819274 
1 1 1 2   16 18 o 29.48055 6.155856  1.638445       12.31171 
1 1 1 2   16 19 o 117.2943 3.377161  -9.395996      6.754322 
1 1 1 2   16 20 o 48.39303 5.780245  7.637272       11.56049 
1 1 1 2   16 21 o 51.14640 4.844190  2.973869       9.688379 
1 1 1 2   16 22 o 87.52150 3.562136  5.354347       7.124271 
1 1 1 2   16 23 o 103.7678 3.514112  ?              ?        
1 1 1 2   16 24 o 28.95959 5.521089  4.943760       11.04218 
1 1 1 2   16 25 o 14.36700 6.395226  ?              ?        
1 1 1 2   16 26 o 50.76234 3.667902  -13.40708      7.335805 
1 1 1 2   16 27 o 26.21851 4.031908  -18.39264      8.063815 
1 1 1 2   16 28 o 20.70536 4.698730  -8.199242      9.397459 
1 1 1 2   16 29 o 12.48971 3.723580  -4.918760      7.447159 
1 1 1 2   17 0  o 202.6326 3.798135  ?              ?        
1 1 1 2   17 1  o 117.4553 3.241261  ?              ?        
1 1 1 2   17 2  o 131.7061 3.312709  ?              ?        
1 1 1 2   17 3  o 143.2196 3.338894  ?              ?        
1 1 1 2   17 4  o 179.6115 3.559798  ?              ?        
1 1 1 2   17 5  o 216.6689 3.907052  ?              ?        
1 1 1 2   17 6  o 86.67880 4.710146  ?              ?        
1 1 1 2   17 7  o 150.2751 4.900995  ?              ?        
1 1 1 2   17 8  o 22.21478 7.947338  ?              ?        
1 1 1 2   17 9  o 90.52001 4.864493  ?              ?        
1 1 1 2   17 10 o 158.4066 5.153525  ?              ?        
1 1 1 2   17 11 f 34.43059 8.454159  ?              ?        
1 1 1 2   17 12 o 58.60149 4.141321  7.277958       8.282642 
1 1 1 2   17 13 f 23.66448 5.860122  7.834669       11.72024 
1 1 1 2   17 14 o 77.76460 3.834091  5.061455       7.668182 
1 1 1 2   17 15 o 95.89005 3.690847  -3.515152      7.381694 
1 1 1 2   17 16 o 62.38943 4.358800  -9.598682      8.717601 
1 1 1 2   17 17 o 93.68394 4.215963  12.26051       8.431927 
1 1 1 2   17 18 o 48.60863 5.930974  -2.241913      11.86195 
1 1 1 2   17 19 o 22.02179 6.000057  -4.779305      12.00011 
1 1 1 2   17 20 o 79.67668 3.846932  5.979111       7.693864 
1 1 1 2   17 21 o 63.06941 4.423684  ?              ?        
1 1 1 2   17 22 o 79.20100 3.610093  -11.28367      7.220187 
1 1 1 2   17 23 o 40.63691 4.952847  -5.290737      9.905694 
1 1 1 2   17 24 o 62.16052 3.364846  -1.223942      6.729693 
1 1 1 2   17 25 o 49.02456 6.076704  ?              ?        
1 1 1 2   17 26 o 29.55940 4.779128  -8.235178      9.558256 
1 1 1 2   17 27 o 29.26405 6.769743  ?              ?        
1 1 1 2   17 28 o 26.58727 3.919072  -17.26670      7.838145 
1 1 1 2   17 29 o 28.16784 5.067782  -15.13581      10.13556 
1 1 1 2   18 0  o 110.5909 3.306560  ?              ?        
1 1 1 2   18 1  o 93.78035 3.286120  ?              ?        
1 1 1 2   18 2  o 61.18306 3.698717  ?              ?        
1 1 1 2   18 3  o 35.63713 4.719306  ?              ?        
1 1 1 2   18 4  o 81.58245 3.405546  ?              ?        
1 1 1 2   18 5  o 175.2543 5.188890  ?              ?        
1 1 1 2   18 6  o 83.37045 3.431063  ?              ?        
1 1 1 2   18 7  o 65.39935 5.290956  ?              ?        
1 1 1 2   18 8  o 86.69473 5.127228  ?              ?        
1 1 1 2   18 9  o 23.75223 8.436778  ?              ?        
1 1 1 2   18 10 o 23.66562 8.697564  ?              ?        
1 1 1 2   18 11 o 110.7827 5.168021  ?              ?        
1 1 1 2   18 12 o 18.80997 8.171661  ?              ?        
1 1 1 2   18 13 o 98.56754 3.783140  7.431000       7.566280 
1 1 1 2   18 14 o 52.06087 6.577803  ?              ?        
1 1 1 2   18 15 o 55.46898 4.790401  -5.398067      9.580801 
1 1 1 2   18 16 o 75.69128 4.387082  -8.868958      8.774164 
1 1 1 2   18 17 o 33.17249 5.887529  24.81147       11.77506 
1 1 1 2   18 18 o 48.56952 6.079808  ?              ?        
1 1 1 2   18 19 o 73.84961 3.789297  4.602699       7.578594 
1 1 1 2   18 20 o 67.73167 3.913644  6.503311       7.827288 
1 1 1 2   18 21 o 97.73489 3.434413  -8.310059      6.868826 
1 1 1 2   18 22 o 22.56205 5.640406  12.53992       11.28081 
1 1 1 2   18 23 o 43.35280 5.093097  -6.354282      10.18619 
1 1 1 2   18 24 o 64.38528 3.263041  -0.6420364     6.526082 
1 1 1 2   18 25 o 15.24631 4.439334  3.055621       8.878668 
1 1 1 2   18 26 o 44.33414 3.146510  0.6946754      6.293020 
1 1 1 2   18 27 o 14.02535 4.289612  4.096418       8.579224 
1 1 1 2   18 28 o 24.37759 7.041043  ?              ?        
1 1 1 2   19 0  o 81.54491 3.522159  ?              ?        
1 1 1 2   19 1  o 171.7994 3.640756  ?              ?        
1 1 1 2   19 2  o 74.43135 3.686487  ?              ?        
1 1 1 2   19 3  o 82.76803 3.576759  ?              ?        
1 1 1 2   19 4  o 17.36377 6.635089  ?              ?        
1 1 1 2   19 5  o 69.98676 5.409971  ?              ?        
1 1 1 2   19 6  o 61.38240 3.850398  ?              ?        
1 1 1 2   19 7  o 142.8936 3.563193  ?              ?        
1 1 1 2   19 8  x ?        ?         ?              ?        
1 1 1 2   19 9  x ?        ?         ?              ?        
1 1 1 2   19 10 x ?        ?         ?              ?        
1 1 1 2   19 11 o 81.14223 5.671658  ?              ?        
1 1 1 2   19 12 o 73.16483 6.193357  ?              ?        
1 1 1 2   19 13 o 36.36421 9.533717  ?              ?        
1 1 1 2   19 14 o 101.4792 5.925879  ?              ?        
1 1 1 2   19 15 o 42.09826 9.612048  ?              ?        
1 1 1 2   19 16 o 30.85499 6.899268  -2.526407      13.79854 
1 1 1 2   19 17 o 121.4231 3.995606  1.442871       7.991211 
1 1 1 2   19 18 o 128.8886 3.412585  -3.614006      6.825170 
1 1 1 2   19 19 o 33.84467 6.482598  11.54710       12.96520 
1 1 1 2   19 20 o 75.41032 4.102365  2.797997       8.204730 
1 1 1 2   19 21 o 34.81295 5.259776  -3.400555      10.51955 
1 1 1 2   19 22 o 33.26372 5.277151  -1.151684      10.55430 
1 1 1 2   19 23 o 15.55488 4.523873  -2.408821      9.047746 
1 1 1 2   19 24 o 34.16834 3.941512  -1.722626      7.883023 
1 1 1 2   19 25 o 18.20942 4.403531  12.76150       8.807062 
1 1 1 2   19 26 o 19.40018 4.084768  -9.753229      8.169536 
1 1 1 2   19 27 o 25.55186 4.274525  -5.808481      8.549050 
1 1 1 2   20 0  x ?        ?         ?              ?        
1 1 1 2   20 1  o 86.35950 5.282933  ?              ?        
1 1 1 2   20 2  o 131.1812 5.121758  ?              ?        
1 1 1 2   20 3  f 220.7701 5.880374  ?              ?        
1 1 1 2   20 4  o 87.60692 5.329512  ?              ?        
1 1 1 2   20 5  o 54.97322 6.468908  ?              ?        
1 1 1 2   20 6  o 63.74436 5.986388  ?              ?        
1 1 1 2   20 7  o 70.98393 5.921497  ?              ?        
1 1 1 2   20 8  o 78.92831 5.463002  ?              ?        
1 1 1 2   20 9  o 128.5143 5.426180  ?              ?        
1 1 1 2   20 10 o 81.84956 6.157237  ?              ?        
1 1 1 2   20 11 o 101.8765 5.564376  ?              ?        
1 1 1 2   20 12 o 35.27697 10.20646  ?              ?        
1 1 1 2   20 13 o 40.74253 9.225193  ?              ?        
1 1 1 2   20 14 o 110.0413 5.844266  ?              ?        
1 1 1 2   20 15 o 73.20314 4.675303  -3.456573      9.350605 
1 1 1 2   20 16 o 38.68036 6.078935  22.11234       12.15787 
1 1 1 2   20 17 o 64.01374 4.643486  9.059799       9.286971 
1 1 1 2   20 18 o 55.11850 4.171679  3.066849       8.343358 
1 1 1 2   20 19 o 32.25032 5.354838  -13.11824      10.70968 
1 1 1 2   20 20 o 29.59435 5.426830  -4.496391      10.85366 
1 1 1 2   20 21 o 33.47353 5.144000  -10.95022      10.28800 
1 1 1 2   20 22 o 38.80391 4.291945  -2.441933      8.583889 
1 1 1 2   20 23 o 59.53833 3.569684  -12.86017      7.139367 
1 1 1 2   20 24 o 19.13901 4.615050  5.573376       9.230101 
1 1 1 2   20 25 o 25.62044 5.333055  ?              ?        
1 1 1 2   20 26 o 16.35444 4.476377  -0.9471703E-01 8.952755 
1 1 1 2   21 0  o 73.73520 5.773046  ?              ?        
1 1 1 2   21 1  x ?        ?         ?              ?        
1 1 1 2   21 2  o 73.33562 3.986003  ?              ?        
1 1 1 2   21 3  o 157.1791 3.806857  ?              ?        
1 1 1 2   21 4  o 138.7163 3.793156  ?              ?        
1 1 1 2   21 5  o 89.35622 3.929888  ?              ?        
1 1 1 2   21 6  o 83.85720 3.882623  ?              ?        
1 1 1 2   21 7  f 141.1140 3.795728  ?              ?        
1 1 1 2   21 8  o 75.55401 4.174349  ?              ?        
1 1 1 2   21 9  o 84.65432 5.991867  ?              ?        
1 1 1 2   21 10 f 112.5153 5.808095  ?              ?        
1 1 1 2   21 11 o 67.44386 6.641335  ?              ?        
1 1 1 2   21 12 o 45.98669 9.178290  ?              ?        
1 1 1 2   21 13 o 44.85475 9.262631  ?              ?        
1 1 1 2   21 14 o 115.7641 5.955142  ?              ?        
1 1 1 2   21 15 o 48.80907 8.752158  ?              ?        
1 1 1 2   21 16 o 50.37563 7.789490  ?              ?        
1 1 1 2   21 17 o 96.18294 4.015716  0.8929749      8.031432 
1 1 1 2   21 18 o 45.45529 4.374213  15.79827       8.748425 
1 1 1 2   21 19 o 29.89778 5.708805  4.235807       11.41761 
1 1 1 2   21 20 o 28.20674 5.441176  18.07845       10.88235 
1 1 1 2   21 21 o 46.36460 4.309633  -6.205585      8.619267 
1 1 1 2   21 22 o 41.61980 3.536148  -3.335835      7.072296 
1 1 1 2   21 23 o 32.93896 4.391697  ?              ?        
1 1 1 2   21 24 o 17.05168 4.256446  -5.992185      8.512893 
1 1 1 2   21 25 o 34.75772 4.193199  -14.50825      8.386397 
1 1 1 2   22 0  o 70.14858 6.408921  ?              ?        
1 1 1 2   22 1  o 87.77272 5.839881  ?              ?        
1 1 1 2   22 2  o 41.25922 5.906439  ?              ?        
1 1 1 2   22 3  o 126.4332 3.874682  ?              ?        
1 1 1 2   22 4  o 14.98132 6.714531  ?              ?        
1 1 1 2   22 5  o 44.62075 5.732509  ?              ?        
1 1 1 2   22 6  o 53.83381 5.021357  ?              ?        
1 1 1 2   22 7  o 68.57439 4.327527  ?              ?        
1 1 1 2   22 8  o 44.53458 5.556663  ?              ?        
1 1 1 2   22 9  o 62.97723 4.569197  ?              ?        
1 1 1 2   22 10 o 131.3076 5.735162  ?              ?        
1 1 1 2   22 11 f 41.71072 9.459643  ?              ?        
1 1 1 2   22 12 o 42.96132 9.216017  ?              ?        
1 1 1 2   22 13 o 25.40485 9.714914  ?              ?        
1 1 1 2   22 14 o 44.07617 9.020558  ?              ?        
1 1 1 2   22 15 o 39.70255 8.663073  ?              ?        
1 1 1 2   22 16 x ?        ?         ?              ?        
1 1 1 2   22 17 f 58.45817 6.710652  ?              ?        
1 1 1 2   22 18 o 17.44488 5.029502  11.56551       10.05900 
1 1 1 2   22 19 o 36.42479 4.541201  6.583710       9.082402 
1 1 1 2   22 20 o 13.53113 5.861020  ?              ?        
1 1 1 2   22 21 o 40.27707 4.417223  -19.53154      8.834447 
1 1 1 2   22 22 o 25.09841 4.141065  -15.73017      8.282129 
1 1 1 2   22 23 o 12.01662 3.722966  -2.681112      7.445932 
1 1 1 2   22 24 o 9.534522 3.240928  -0.6196785E-01 6.481855 
1 1 1 2   23 0  o 38.93949 9.883170  ?              ?        
1 1 1 2   23 1  o 50.73416 7.645497  ?              ?        
1 1 1 2   23 2  o 44.41903 5.639128  ?              ?        
1 1 1 2   23 3  o 86.79885 4.254397  ?              ?        
1 1 1 2   23 4  o 121.5938 4.084564  ?              ?        
1 1 1 2   23 5  o 62.03410 4.987427  ?              ?        
1 1 1 2   23 6  o 121.5898 4.039549  ?              ?        
1 1 1 2   23 7  o 27.95936 7.866320  ?              ?        
1 1 1 2   23 8  o 25.46883 8.040293  ?              ?        
1 1 1 2   23 9  o 23.76283 7.931547  ?              ?        
1 1 1 2   23 10 o 66.67522 4.441855  ?              ?        
1 1 1 2   23 11 x ?        ?         ?              ?        
1 1 1 2   23 12 x ?        ?         ?              ?        
1 1 1 2   23 13 o 52.71648 7.277915  ?              ?        
1 1 1 2   23 14 o 47.41805 7.682704  ?              ?        
1 1 1 2   23 15 o 17.60000 7.667193  ?              ?        
1 1 1 2   23 16 o 30.48735 8.370873  ?              ?        
1 1 1 2   23 17 o 18.88291 7.175578  ?              ?        
1 1 1 2   23 18 f 20.90098 7.209374  ?              ?        
1 1 1 2   23 19 o 35.15248 4.867913  ?              ?        
1 1 1 2   23 20 o 65.12429 3.174590  -10.07867      6.349180 
1 1 1 2   23 21 f 10.30843 3.477114  1.655176       6.954228 
1 1 1 2   23 22 o 32.10871 4.695426  6.948742       9.390853 
1 1 1 2   24 0  o 80.21622 6.442227  ?              ?        
1 1 1 2   24 1  o 36.81748 9.703769  ?              ?        
1 1 1 2   24 2  f 40.06348 9.876658  ?              ?        
1 1 1 2   24 3  o 18.86260 8.385489  ?              ?        
1 1 1 2   24 4  x ?        ?         ?              ?        
1 1 1 2   24 5  o 79.18240 5.944258  ?              ?        
1 1 1 2   24 6  o 73.49761 6.336366  ?              ?        
1 1 1 2   24 7  o 92.48970 4.142634  ?              ?        
1 1 1 2   24 8  x ?        ?         ?              ?        
1 1 1 2   24 9  o 65.52276 4.372535  ?              ?        
1 1 1 2   24 10 f 18.66320 7.368868  ?              ?        
1 1 1 2   24 11 o 13.00416 6.300344  ?              ?        
1 1 1 2   24 12 o 16.51926 7.447600  ?              ?        
1 1 1 2   24 13 o 40.59551 8.310763  ?              ?        
1 1 1 2   24 14 o 34.59251 7.870641  ?              ?        
1 1 1 2   24 15 f 20.73344 7.385246  ?              ?        
1 1 1 2   24 16 o 50.38922 5.194348  ?              ?        
1 1 1 2   24 17 o 15.42162 6.329500  ?              ?        
1 1 1 2   24 18 o 58.03200 4.719146  ?              ?        
1 1 1 2   24 19 o 42.52060 4.061436  ?              ?        
1 1 1 2   24 20 o 31.55446 4.821148  ?              ?        
1 1 1 2   24 21 o 25.48785 5.870172  ?              ?        
1 1 1 2   25 0  o 33.63888 9.840125  ?              ?        
1 1 1 2   25 1  o 32.02320 9.662004  ?              ?        
1 1 1 2   25 2  f 108.5553 5.775884  ?              ?        
1 1 1 2   25 3  f 59.83403 4.919036  ?              ?        
1 1 1 2   25 4  o 86.05357 4.339283  ?              ?        
1 1 1 2   25 5  o 77.17959 4.299361  ?              ?        
1 1 1 2   25 6  o 27.05403 7.479877  ?              ?        
1 1 1 2   25 7  o 49.70966 4.873904  ?              ?        
1 1 1 2   25 8  f 58.85442 4.521041  ?              ?        
1 1 1 2   25 9  o 25.61883 7.235572  ?              ?        
1 1 1 2   25 10 o 34.97015 6.322601  ?              ?        
1 1 1 2   25 11 o 19.20438 6.921313  ?              ?        
1 1 1 2   25 12 o 20.12597 6.545249  ?              ?        
1 1 1 2   25 13 o 19.20308 7.188425  ?              ?        
1 1 1 2   25 14 o 13.00707 6.003592  ?              ?        
1 1 1 2   25 15 o 21.04350 6.852481  ?              ?        
1 1 1 2   25 16 o 14.30224 6.134727  ?              ?        
1 1 1 2   25 17 o 29.25568 6.874073  ?              ?        
1 1 1 2   25 18 o 11.64018 5.414791  ?              ?        
1 1 1 2   25 19 o 19.48720 7.118291  ?              ?        
1 1 1 2   26 0  o 30.61813 9.025425  ?              ?        
1 1 1 2   26 1  o 22.79352 8.636181  ?              ?        
1 1 1 2   26 2  o 19.75891 8.034801  ?              ?        
1 1 1 2   26 3  o 27.28530 7.128887  ?              ?        
1 1 1 2   26 4  o 15.33466 6.424958  ?              ?        
1 1 1 2   26 5  o 35.52975 5.510048  ?              ?        
1 1 1 2   26 6  o 54.43415 4.185524  ?              ?        
1 1 1 2   26 7  o 17.41427 6.659642  ?              ?        
1 1 1 2   26 8  o 17.20378 6.598522  ?              ?        
1 1 1 2   26 9  o 12.22004 5.464024  ?              ?        
1 1 1 2   26 10 o 23.02966 6.268333  ?              ?        
1 1 1 2   26 11 o 13.66575 5.806777  ?              ?        
1 1 1 2   26 12 o 38.35756 4.174758  ?              ?        
1 1 1 2   26 13 o 45.70188 3.658424  ?              ?        
1 1 1 2   26 14 o 22.28813 5.350912  ?              ?        
1 1 1 2   26 15 o 16.27662 6.527599  ?              ?        
1 1 1 2   26 16 x ?        ?         ?              ?        
1 1 1 2   26 17 x ?        ?         ?              ?        
1 1 1 2   27 0  o 27.83249 8.357836  ?              ?        
1 1 1 2   27 1  o 44.70484 6.370667  ?              ?        
1 1 1 2   27 2  o 50.05090 6.200915  ?              ?        
1 1 1 2   27 3  o 48.65383 4.463384  ?              ?        
1 1 1 2   27 4  f 13.47619 5.902015  ?              ?        
1 1 1 2   27 5  o 31.75398 5.782943  ?              ?        
1 1 1 2   27 6  o 16.73919 6.423898  ?              ?        
1 1 1 2   27 7  o 11.56615 5.179349  ?              ?        
1 1 1 2   27 8  o 29.67606 4.780578  ?              ?        
1 1 1 2   27 9  o 12.45526 5.333473  ?              ?        
1 1 1 2   27 10 o 34.06871 4.526926  ?              ?        
1 1 1 2   27 11 o 20.20801 7.114852  ?              ?        
1 1 1 2   27 12 o 17.57543 6.721350  ?              ?        
1 1 1 2   27 13 o 12.03821 5.481959  ?              ?        
1 1 1 2   27 14 o 25.36246 6.977413  ?              ?        
1 1 1 2   27 15 o 21.22004 6.949526  ?              ?        
1 1 1 2   28 0  o 12.69355 5.629632  ?              ?        
1 1 1 2   28 1  f 21.65853 7.157577  ?              ?        
1 1 1 2   28 2  f 12.90796 5.792951  ?              ?        
1 1 1 2   28 3  o 56.18023 4.699590  ?              ?        
1 1 1 2   28 4  o 11.86860 5.505585  ?              ?        
1 1 1 2   28 5  o 29.99438 6.550289  ?              ?        
1 1 1 2   28 6  o 18.74578 6.820872  ?              ?        
1 1 1 2   28 7  o 22.43870 7.109093  ?              ?        
1 1 1 2   28 8  o 15.53369 6.332556  ?              ?        
1 1 1 2   28 9  x ?        ?         ?              ?        
1 1 1 2   28 10 x ?        ?         ?              ?        
1 1 1 2   28 11 x ?        ?         ?              ?        
1 1 1 2   28 12 x ?        ?         ?              ?        
1 1 1 2   29 0  x ?        ?         ?              ?        
1 1 1 2   29 1  x ?        ?         ?              ?        
1 1 1 2   29 2  x ?        ?         ?              ?        
1 1 1 2   29 3  x ?        ?         ?              ?        
1 1 1 2   29 4  x ?        ?         ?              ?        
1 1 1 2   29 5  x ?        ?         ?              ?        
1 1 1 2   29 6  x ?        ?         ?              ?        
1 1 1 2   29 7  x ?        ?         ?              ?        
1 1 1 2   29 8  x ?        ?         ?              ?        
1 1 1 2   29 9  x ?        ?         ?              ?        
1 1 1 2   30 0  x ?        ?         ?              ?        
1 1 1 2   30 1  x ?        ?         ?              ?        
1 1 1 2   30 2  x ?        ?         ?              ?        
1 1 1 2   30 3  x ?        ?         ?              ?        
1 1 1 3   0  0  o 47.98930 0.8488739 -0.000000      0.000000 
1 1 1 3   0  1  o 57.27438 0.9224841 -0.000000      0.000000 
1 1 1 3   0  2  o 28.10867 1.164875  -0.000000      0.000000 
1 1 1 3   0  3  x ?        ?         ?              ?        
1 1 1 3   0  4  o 232.2178 4.394574  -0.000000      0.000000 
1 1 1 3   0  5  o 644.4239 8.536447  -0.000000      0.000000 
1 1 1 3   0  6  o 146.7386 2.054813  -0.000000      0.000000 
1 1 1 3   0  7  o 338.0717 4.516650  -0.000000      0.000000 
1 1 1 3   0  8  o 64.70457 1.191494  -0.000000      0.000000 
1 1 1 3   0  9  o 143.1773 2.067410  -0.000000      0.000000 
1 1 1 3   0  10 f 10.32338 3.369032  -0.000000      0.000000 
1 1 1 3   0  11 o 244.3678 3.338733  -0.000000      0.000000 
1 1 1 3   0  12 o 64.04417 2.416727  -0.000000      0.000000 
1 1 1 3   0  13 o 94.03310 1.663077  -0.000000      0.000000 
1 1 1 3   0  14 o 267.5952 5.134578  -0.000000      0.000000 
1 1 1 3   0  15 o 75.39211 1.721557  -0.000000      0.000000 
1 1 1 3   0  16 o 154.1989 2.410388  -0.000000      0.000000 
1 1 1 3   0  17 f 274.6174 3.838892  -0.000000      0.000000 
1 1 1 3   0  18 o 114.8544 2.073023  -0.000000      0.000000 
1 1 1 3   0  19 o 123.4443 2.206011  -0.000000      0.000000 
1 1 1 3   0  20 o 145.1798 2.448459  -0.000000      0.000000 
1 1 1 3   0  21 o 229.8100 5.010935  -0.000000      0.000000 
1 1 1 3   0  22 o 34.15706 2.899386  -0.000000      0.000000 
1 1 1 3   0  23 o 74.54013 2.247605  -0.000000      0.000000 
1 1 1 3   0  24 x ?        ?         ?              ?        
1 1 1 3   0  25 o 155.6261 2.814659  -0.000000      0.000000 
1 1 1 3   0  26 o 7.167826 5.012994  -0.000000      0.000000 
1 1 1 3   0  27 o 131.3717 2.852101  -0.000000      0.000000 
1 1 1 3   0  28 o 19.26257 7.799389  -0.000000      0.000000 
1 1 1 3   0  29 o 53.39019 3.251201  -0.000000      0.000000 
1 1 1 3   0  30 o 42.16952 3.857735  -0.000000      0.000000 
1 1 1 3   0  31 o 79.08143 2.924935  -0.000000      0.000000 
1 1 1 3   0  32 o 8.834575 5.712898  -0.000000      0.000000 
1 1 1 3   0  33 f 46.42023 4.774848  -0.000000      0.000000 
1 1 1 3   0  34 o 6.737195 4.683696  -0.000000      0.000000 
1 1 1 3   0  35 o 27.64688 4.987393  -0.000000      0.000000 
1 1 1 3   1  0  o 154.8598 1.560316  0.3525848      3.120631 
1 1 1 3   1  1  o 212.8239 2.441561  -13.97731      4.883122 
1 1 1 3   1  2  o 48.69038 0.9600752 -11.84085      1.920150 
1 1 1 3   1  3  o 194.4830 2.639858  ?              ?        
1 1 1 3   1  4  o 141.9810 2.007806  2.391922       4.015612 
1 1 1 3   1  5  o 163.1616 2.296156  ?              ?        
1 1 1 3   1  6  o 236.5912 4.565578  ?              ?        
1 1 1 3   1  7  o 218.3464 3.024843  ?              ?        
1 1 1 3   1  8  o 89.00032 1.067201  -10.42863      2.134402 
1 1 1 3   1  9  o 168.6590 1.702820  -2.987839      3.405640 
1 1 1 3   1  10 o 131.3295 1.414632  -0.1360168     2.829265 
1 1 1 3   1  11 o 161.0358 2.030982  0.4196167      4.061963 
1 1 1 3   1  12 o 594.9591 6.843386  -11.61566      13.68677 
1 1 1 3   1  13 o 229.1835 2.270612  -3.064926      4.541223 
1 1 1 3   1  14 o 395.0370 5.305476  11.10535       10.61095 
1 1 1 3   1  15 o 369.5282 3.544547  6.261597       7.089094 
1 1 1 3   1  16 o 179.6436 1.908272  3.209457       3.816543 
1 1 1 3   1  17 o 112.8195 1.474719  -1.972878      2.949439 
1 1 1 3   1  18 o 58.51980 1.405881  2.475174       2.811761 
1 1 1 3   1  19 f 93.88725 1.440411  -4.569824      2.880822 
1 1 1 3   1  20 o 82.17678 1.430941  8.026550       2.861881 
1 1 1 3   1  21 o 128.1678 2.570248  0.6080017      5.140496 
1 1 1 3   1  22 o 84.82832 1.545874  0.4275208      3.091749 
1 1 1 3   1  23 o 100.3727 1.929849  2.231117       3.859698 
1 1 1 3   1  24 o 130.4133 3.589963  ?              ?        
1 1 1 3   1  25 o 85.71358 1.775791  -2.855988      3.551583 
1 1 1 3   1  26 o 74.46387 1.935639  -4.917747      3.871277 
1 1 1 3   1  27 o 122.5126 1.972970  3.877518       3.945939 
1 1 1 3   1  28 o 67.06805 2.119375  -0.7120285     4.238750 
1 1 1 3   1  29 o 14.12623 3.875358  10.21036       7.750716 
1 1 1 3   1  30 o 55.21827 3.343437  7.703579       6.686875 
1 1 1 3   1  31 o 19.84787 4.582273  -2.974495      9.164547 
1 1 1 3   1  32 o 86.85109 2.919523  ?              ?        
1 1 1 3   1  33 o 64.55166 2.636891  -15.07747      5.273782 
1 1 1 3   1  34 o 18.58489 3.900304  0.3919506      7.800609 
1 1 1 3   1  35 o 18.71646 3.986333  -1.069225      7.972666 
1 1 1 3   2  0  o 493.9335 6.604684  -10.33453      13.20937 
1 1 1 3   2  1  o 309.1186 4.167187  -9.480743      8.334374 
1 1 1 3   2  2  o 331.2545 4.448188  -17.38177      8.896377 
1 1 1 3   2  3  o 187.8635 2.593298  ?              ?        
1 1 1 3   2  4  f 150.1391 2.160738  -2.590576      4.321476 
1 1 1 3   2  5  o 100.2509 2.331791  ?              ?        
1 1 1 3   2  6  o 82.91443 1.545109  -5.035378      3.090218 
1 1 1 3   2  7  o 102.0167 1.238993  -3.094406      2.477986 
1 1 1 3   2  8  o 191.9184 1.945534  -6.077911      3.891068 
1 1 1 3   2  9  o 181.0953 1.868214  -12.01535      3.736429 
1 1 1 3   2  10 o 56.48234 1.184019  4.724758       2.368039 
1 1 1 3   2  11 o 305.4894 3.647224  -0.9831543     7.294449 
1 1 1 3   2  12 o 197.2240 2.016075  -2.296509      4.032150 
1 1 1 3   2  13 o 72.35939 1.512553  -2.759438      3.025106 
1 1 1 3   2  14 o 177.4126 2.266377  7.154877       4.532754 
1 1 1 3   2  15 o 65.56755 1.412330  -4.158749      2.824660 
1 1 1 3   2  16 o 384.4824 3.708527  10.51752       7.417054 
1 1 1 3   2  17 o 106.6271 1.513144  -1.457993      3.026287 
1 1 1 3   2  18 o 137.1889 1.681077  5.146088       3.362155 
1 1 1 3   2  19 f 92.28694 1.491211  6.212059       2.982422 
1 1 1 3   2  20 o 105.2781 1.546824  -4.649818      3.093647 
1 1 1 3   2  21 o 137.1090 2.644618  -1.684784      5.289237 
1 1 1 3   2  22 o 62.52478 1.632792  -2.292427      3.265583 
1 1 1 3   2  23 o 140.1787 2.263537  4.122742       4.527074 
1 1 1 3   2  24 o 135.3926 3.872585  ?              ?        
1 1 1 3   2  25 o 46.53365 2.263922  -4.301292      4.527844 
1 1 1 3   2  26 o 88.30306 1.867819  0.4940643      3.735638 
1 1 1 3   2  27 o 74.74603 2.056769  -4.856720      4.113538 
1 1 1 3   2  28 o 99.93021 2.008172  -1.071503      4.016344 
1 1 1 3   2  29 o 36.94344 2.964547  1.877087       5.929093 
1 1 1 3   2  30 o 80.33882 2.729567  0.6501846      5.459133 
1 1 1 3   2  31 o 18.24613 4.680174  9.289701       9.360348 
1 1 1 3   2  32 o 36.60919 3.428667  0.7507401      6.857334 
1 1 1 3   2  33 o 34.31922 5.578015  ?              ?        
1 1 1 3   2  34 o 48.70432 3.313266  ?              ?        
1 1 1 3   3  0  o 441.7780 5.922239  -7.892578      11.84448 
1 1 1 3   3  1  o 344.6382 4.650037  -10.74951      9.300075 
1 1 1 3   3  2  o 282.0301 3.833090  -0.5231323     7.666181 
1 1 1 3   3  3  o 270.4445 3.686244  ?              ?        
1 1 1 3   3  4  o 160.2537 2.353232  -11.66914      4.706463 
1 1 1 3   3  5  o 154.5457 2.308454  -6.586411      4.616908 
1 1 1 3   3  6  o 204.2604 2.941752  -11.01900      5.883503 
1 1 1 3   3  7  o 65.51394 2.353403  ?              ?        
1 1 1 3   3  8  f 230.5053 2.797920  -11.17296      5.595839 
1 1 1 3   3  9  o 120.4575 2.068549  -17.98418      4.137098 
1 1 1 3   3  10 o 201.8416 2.531007  -13.61499      5.062014 
1 1 1 3   3  11 o 482.1948 4.599280  -12.60303      9.198560 
1 1 1 3   3  12 o 382.2630 4.522798  -1.109192      9.045596 
1 1 1 3   3  13 o 168.6211 2.295476  2.022873       4.590952 
1 1 1 3   3  14 o 171.1002 1.890467  -5.749695      3.780935 
1 1 1 3   3  15 o 229.6891 2.372736  4.057068       4.745472 
1 1 1 3   3  16 o 38.62859 2.106277  0.6923637      4.212554 
1 1 1 3   3  17 f 130.4101 1.687369  4.715057       3.374739 
1 1 1 3   3  18 o 113.9053 1.605517  0.9836807      3.211033 
1 1 1 3   3  19 o 195.5186 2.149404  6.787643       4.298807 
1 1 1 3   3  20 o 120.4998 1.982626  -0.9135437E-01 3.965252 
1 1 1 3   3  21 o 44.90484 2.590452  1.319099       5.180903 
1 1 1 3   3  22 o 120.6838 2.162565  -6.304329      4.325129 
1 1 1 3   3  23 o 143.1589 1.908571  8.055237       3.817142 
1 1 1 3   3  24 o 108.8932 2.636470  -6.865547      5.272939 
1 1 1 3   3  25 o 130.5641 3.059477  ?              ?        
1 1 1 3   3  26 o 51.52554 2.321430  -0.6397591     4.642859 
1 1 1 3   3  27 o 84.45839 2.010336  -1.449890      4.020672 
1 1 1 3   3  28 o 67.09001 2.177921  -1.374023      4.355842 
1 1 1 3   3  29 o 80.11244 2.638886  3.184105       5.277772 
1 1 1 3   3  30 o 34.89934 3.547201  -14.43434      7.094403 
1 1 1 3   3  31 o 26.55259 3.572177  -5.260363      7.144354 
1 1 1 3   3  32 o 28.49660 3.408035  -11.55446      6.816070 
1 1 1 3   3  33 o 54.91047 2.727745  -19.26826      5.455489 
1 1 1 3   3  34 o 13.30767 3.550058  -9.826803      7.100117 
1 1 1 3   4  0  o 222.9393 3.150683  -3.402756      6.301367 
1 1 1 3   4  1  o 625.0145 8.368139  33.31409       16.73628 
1 1 1 3   4  2  o 249.6145 4.888004  ?              ?        
1 1 1 3   4  3  o 46.64207 1.404914  ?              ?        
1 1 1 3   4  4  o 36.12353 2.194506  ?              ?        
1 1 1 3   4  5  o 134.8477 2.174139  2.150269       4.348279 
1 1 1 3   4  6  o 191.1349 4.014904  ?              ?        
1 1 1 3   4  7  o 252.0421 5.082605  ?              ?        
1 1 1 3   4  8  o 216.6383 2.726070  -6.802063      5.452141 
1 1 1 3   4  9  o 174.0375 2.355063  -1.321243      4.710125 
1 1 1 3   4  10 o 109.9061 2.080693  ?              ?        
1 1 1 3   4  11 o 185.3814 2.474891  -8.088837      4.949782 
1 1 1 3   4  12 f 89.84688 1.911064  -7.106499      3.822128 
1 1 1 3   4  13 o 147.8221 1.800600  1.896500       3.601200 
1 1 1 3   4  14 o 465.1226 4.473756  3.368469       8.947512 
1 1 1 3   4  15 f 64.54757 2.948194  ?              ?        
1 1 1 3   4  16 o 161.7944 1.934572  6.424515       3.869144 
1 1 1 3   4  17 o 132.4451 1.772415  0.6186371      3.544831 
1 1 1 3   4  18 o 85.14215 1.640127  -3.084091      3.280254 
1 1 1 3   4  19 o 34.82851 2.514047  -3.589497      5.028093 
1 1 1 3   4  20 o 112.0726 1.720724  -3.801590      3.441449 
1 1 1 3   4  21 o 45.69598 2.113472  -3.034744      4.226943 
1 1 1 3   4  22 o 110.3209 1.777390  0.6315308      3.554780 
1 1 1 3   4  23 o 178.0387 2.517179  4.228043       5.034357 
1 1 1 3   4  24 o 154.8385 2.931875  -2.584213      5.863751 
1 1 1 3   4  25 o 75.99489 2.059097  ?              ?        
1 1 1 3   4  26 o 20.94305 4.313542  -2.204866      8.627085 
1 1 1 3   4  27 o 54.54145 2.460130  -5.740250      4.920260 
1 1 1 3   4  28 o 88.92068 2.142215  -10.25253      4.284431 
1 1 1 3   4  29 o 22.00687 5.076556  -6.126087      10.15311 
1 1 1 3   4  30 f 69.63121 2.737129  -14.68349      5.474257 
1 1 1 3   4  31 o 93.23272 4.601475  ?              ?        
1 1 1 3   4  32 o 22.29118 3.685178  -14.76841      7.370356 
1 1 1 3   4  33 o 35.45027 2.868436  -6.905275      5.736871 
1 1 1 3   4  34 o 14.07321 5.617842  ?              ?        
1 1 1 3   5  0  o 126.2479 2.104080  -9.977257      4.208160 
1 1 1 3   5  1  o 59.85394 2.257411  ?              ?        
1 1 1 3   5  2  x ?        ?         ?              ?        
1 1 1 3   5  3  o 248.5987 4.969254  ?              ?        
1 1 1 3   5  4  o 135.0036 3.158357  ?              ?        
1 1 1 3   5  5  o 120.7935 2.134265  -2.348381      4.268531 
1 1 1 3   5  6  o 110.8767 2.090025  -4.215271      4.180050 
1 1 1 3   5  7  o 142.7532 3.420101  ?              ?        
1 1 1 3   5  8  o 149.7716 3.558577  ?              ?        
1 1 1 3   5  9  o 143.9996 2.143579  -10.38852      4.287157 
1 1 1 3   5  10 o 258.1157 3.764668  0.5207214      7.529335 
1 1 1 3   5  11 o 289.0215 4.154585  -9.867126      8.309170 
1 1 1 3   5  12 o 134.3335 2.201871  -1.048676      4.403742 
1 1 1 3   5  13 o 420.3876 5.016828  -2.400055      10.03366 
1 1 1 3   5  14 o 72.72244 2.285222  -3.174690      4.570443 
1 1 1 3   5  15 o 233.2316 2.513162  3.291275       5.026325 
1 1 1 3   5  16 o 119.9996 1.826660  3.582573       3.653320 
1 1 1 3   5  17 o 110.3035 1.780749  -3.298851      3.561497 
1 1 1 3   5  18 o 77.70029 1.875810  5.702072       3.751619 
1 1 1 3   5  19 o 119.2034 1.798995  7.239349       3.597990 
1 1 1 3   5  20 o 21.57052 3.939679  -1.418066      7.879357 
1 1 1 3   5  21 o 31.52181 2.924746  -3.188269      5.849492 
1 1 1 3   5  22 o 82.07259 2.148787  9.180641       4.297574 
1 1 1 3   5  23 o 16.34566 4.170496  5.148709       8.340993 
1 1 1 3   5  24 o 36.60425 4.379399  -9.234772      8.758798 
1 1 1 3   5  25 o 170.8775 2.260745  11.70274       4.521491 
1 1 1 3   5  26 o 49.15228 2.805216  -1.266563      5.610432 
1 1 1 3   5  27 o 66.23448 2.402954  -0.9908066     4.805909 
1 1 1 3   5  28 o 41.42074 3.717038  -10.20324      7.434076 
1 1 1 3   5  29 o 35.27807 3.569773  -10.10590      7.139545 
1 1 1 3   5  30 o 61.98658 2.800176  ?              ?        
1 1 1 3   5  31 o 17.27431 3.740188  -12.23043      7.480375 
1 1 1 3   5  32 o 51.47164 2.986425  -24.47500      5.972850 
1 1 1 3   5  33 o 60.71628 3.327030  ?              ?        
1 1 1 3   5  34 o 16.15465 3.804072  -10.70256      7.608145 
1 1 1 3   6  0  o 169.5791 3.721462  ?              ?        
1 1 1 3   6  1  o 156.2008 3.522395  ?              ?        
1 1 1 3   6  2  o 73.35370 2.558509  ?              ?        
1 1 1 3   6  3  o 9.402338 3.533874  ?              ?        
1 1 1 3   6  4  o 62.81256 2.647432  ?              ?        
1 1 1 3   6  5  o 104.5282 2.092359  -2.688271      4.184719 
1 1 1 3   6  6  o 27.79003 2.490020  -3.350061      4.980040 
1 1 1 3   6  7  o 102.4242 2.157670  -5.199623      4.315339 
1 1 1 3   6  8  o 100.1775 2.240108  4.256920       4.480217 
1 1 1 3   6  9  o 258.0227 3.802362  1.402222       7.604723 
1 1 1 3   6  10 o 272.0927 3.434423  -3.239471      6.868846 
1 1 1 3   6  11 o 223.1845 2.946655  -7.837555      5.893310 
1 1 1 3   6  12 o 149.3748 2.392108  0.8115692      4.784216 
1 1 1 3   6  13 o 371.4069 4.559896  4.061249       9.119793 
1 1 1 3   6  14 o 289.7584 3.699400  0.9424744      7.398799 
1 1 1 3   6  15 o 387.0696 4.744880  0.2428284      9.489759 
1 1 1 3   6  16 o 183.1461 3.065010  -1.431046      6.130020 
1 1 1 3   6  17 o 259.9336 3.457047  3.275238       6.914093 
1 1 1 3   6  18 o 137.7531 2.450448  -2.046478      4.900896 
1 1 1 3   6  19 o 31.94861 2.628506  ?              ?        
1 1 1 3   6  20 o 84.17616 1.861730  7.028687       3.723460 
1 1 1 3   6  21 o 161.9849 2.627440  -3.963318      5.254881 
1 1 1 3   6  22 o 67.73737 2.043253  0.7531433      4.086507 
1 1 1 3   6  23 o 60.21381 2.168400  14.34839       4.336799 
1 1 1 3   6  24 o 54.98727 3.456206  2.749504       6.912412 
1 1 1 3   6  25 o 146.3192 2.204439  1.531372       4.408878 
1 1 1 3   6  26 o 131.2983 2.225555  -6.349442      4.451111 
1 1 1 3   6  27 o 77.52078 2.625141  -1.794388      5.250281 
1 1 1 3   6  28 o 59.71582 2.645457  -10.04494      5.290914 
1 1 1 3   6  29 o 9.242631 4.364405  ?              ?        
1 1 1 3   6  30 o 11.84132 3.741729  -2.508925      7.483459 
1 1 1 3   6  31 o 33.47547 3.572477  -26.78898      7.144955 
1 1 1 3   6  32 o 31.77387 4.648606  ?              ?        
1 1 1 3   6  33 f 28.16954 3.735773  -20.62596      7.471545 
1 1 1 3   6  34 o 16.02320 4.191296  -4.061818      8.382592 
1 1 1 3   7  0  f 109.0167 2.152645  -1.646812      4.305290 
1 1 1 3   7  1  o 138.8620 2.394981  -0.8428955     4.789961 
1 1 1 3   7  2  o 165.1156 3.773318  ?              ?        
1 1 1 3   7  3  o 195.0076 2.987557  ?              ?        
1 1 1 3   7  4  o 152.2338 3.635971  ?              ?        
1 1 1 3   7  5  o 181.5950 4.075587  ?              ?        
1 1 1 3   7  6  o 29.40027 2.673103  -6.205055      5.346206 
1 1 1 3   7  7  o 298.0178 4.287991  1.093201       8.575981 
1 1 1 3   7  8  o 248.8808 3.719870  5.337585       7.439741 
1 1 1 3   7  9  o 144.1454 2.665788  1.582199       5.331575 
1 1 1 3   7  10 o 296.6236 4.310821  9.719940       8.621641 
1 1 1 3   7  11 o 316.5046 3.970203  1.112640       7.940405 
1 1 1 3   7  12 o 238.7413 3.211643  0.9331360      6.423287 
1 1 1 3   7  13 o 290.1939 3.747429  1.674530       7.494858 
1 1 1 3   7  14 o 168.1936 2.670149  -3.935486      5.340299 
1 1 1 3   7  15 o 85.73199 2.792583  -7.088089      5.585166 
1 1 1 3   7  16 f 148.9070 2.546811  -10.69403      5.093622 
1 1 1 3   7  17 o 48.44701 2.980269  1.554272       5.960539 
1 1 1 3   7  18 o 81.66172 2.302320  ?              ?        
1 1 1 3   7  19 o 52.99761 2.782683  -3.328815      5.565365 
1 1 1 3   7  20 o 164.4572 3.171480  -1.241119      6.342961 
1 1 1 3   7  21 o 135.3632 2.569805  -5.265198      5.139609 
1 1 1 3   7  22 o 52.66424 2.967125  2.291794       5.934250 
1 1 1 3   7  23 o 157.4101 3.230936  3.836792       6.461872 
1 1 1 3   7  24 o 123.8147 2.306995  ?              ?        
1 1 1 3   7  25 o 116.6263 2.837483  -7.167953      5.674966 
1 1 1 3   7  26 o 81.13924 2.551050  -1.887039      5.102100 
1 1 1 3   7  27 o 14.41786 4.340811  1.291261       8.681623 
1 1 1 3   7  28 o 71.67287 2.371564  ?              ?        
1 1 1 3   7  29 o 25.87285 4.126356  -10.55778      8.252711 
1 1 1 3   7  30 o 41.10688 2.853502  -6.232803      5.707004 
1 1 1 3   7  31 o 26.69765 4.177804  -2.481804      8.355607 
1 1 1 3   7  32 o 50.22107 3.648651  ?              ?        
1 1 1 3   7  33 o 38.56322 3.955260  ?              ?        
1 1 1 3   7  34 o 37.93081 2.938177  -19.19636      5.876353 
1 1 1 3   8  0  o 117.4425 2.308221  -12.73741      4.616442 
1 1 1 3   8  1  o 232.1958 4.923931  ?              ?        
1 1 1 3   8  2  o 155.0828 3.729905  ?              ?        
1 1 1 3   8  3  o 111.7971 2.247439  ?              ?        
1 1 1 3   8  4  o 124.3317 3.399971  ?              ?        
1 1 1 3   8  5  o 261.6120 5.456108  ?              ?        
1 1 1 3   8  6  o 186.5694 3.064081  4.096832       6.128161 
1 1 1 3   8  7  o 205.2504 4.635607  ?              ?        
1 1 1 3   8  8  o 371.6765 5.240563  -2.467407      10.48113 
1 1 1 3   8  9  o 270.2478 4.034953  -5.589081      8.069905 
1 1 1 3   8  10 o 366.7380 5.207856  5.499115       10.41571 
1 1 1 3   8  11 o 399.8688 4.935283  8.395599       9.870565 
1 1 1 3   8  12 o 302.4716 4.494563  -4.599152      8.989125 
1 1 1 3   8  13 o 139.9059 4.276125  ?              ?        
1 1 1 3   8  14 o 95.37211 2.565800  2.784424       5.131600 
1 1 1 3   8  15 o 178.7831 2.885031  8.537979       5.770061 
1 1 1 3   8  16 f 228.7351 3.584713  ?              ?        
1 1 1 3   8  17 o 135.2509 2.581891  0.4529266      5.163782 
1 1 1 3   8  18 o 52.33907 2.903381  4.608089       5.806763 
1 1 1 3   8  19 o 101.9262 2.883287  -9.299622      5.766575 
1 1 1 3   8  20 o 55.25848 2.977471  -1.641842      5.954942 
1 1 1 3   8  21 o 156.9574 2.808868  9.151276       5.617736 
1 1 1 3   8  22 o 31.00992 4.533520  0.2837925      9.067039 
1 1 1 3   8  23 o 112.8791 3.177476  0.7679520      6.354953 
1 1 1 3   8  24 o 70.86205 2.246007  ?              ?        
1 1 1 3   8  25 o 105.4997 3.027255  6.588432       6.054510 
1 1 1 3   8  26 o 43.41906 4.550251  -0.1461601     9.100503 
1 1 1 3   8  27 x ?        ?         ?              ?        
1 1 1 3   8  28 o 59.49214 3.827844  -11.72689      7.655687 
1 1 1 3   8  29 o 26.67278 4.756119  -5.823793      9.512238 
1 1 1 3   8  30 o 15.42113 4.498843  3.013000       8.997685 
1 1 1 3   8  31 o 49.52079 2.904189  -27.44205      5.808378 
1 1 1 3   8  32 o 35.05723 3.747141  -27.64020      7.494282 
1 1 1 3   8  33 o 31.64901 3.778096  -30.71837      7.556191 
1 1 1 3   9  0  o 56.74272 2.270644  -2.404320      4.541287 
1 1 1 3   9  1  o 134.3987 3.593694  ?              ?        
1 1 1 3   9  2  o 160.3220 3.909108  ?              ?        
1 1 1 3   9  3  o 359.9675 5.072159  ?              ?        
1 1 1 3   9  4  o 32.08254 4.753663  ?              ?        
1 1 1 3   9  5  o 155.3715 3.957996  ?              ?        
1 1 1 3   9  6  o 105.5795 3.492299  ?              ?        
1 1 1 3   9  7  x ?        ?         ?              ?        
1 1 1 3   9  8  o 330.8503 6.757357  ?              ?        
1 1 1 3   9  9  o 104.9318 3.800440  ?              ?        
1 1 1 3   9  10 o 292.4500 4.377097  -9.847992      8.754193 
1 1 1 3   9  11 o 417.0556 5.902271  -0.4395752     11.80454 
1 1 1 3   9  12 o 228.9164 3.255096  2.382904       6.510193 
1 1 1 3   9  13 o 148.8560 3.111275  ?              ?        
1 1 1 3   9  14 o 239.8132 3.851457  ?              ?        
1 1 1 3   9  15 o 251.0358 3.495320  0.7123108      6.990641 
1 1 1 3   9  16 o 107.4797 2.551727  -7.740860      5.103454 
1 1 1 3   9  17 o 152.1756 3.158093  -1.866745      6.316187 
1 1 1 3   9  18 o 86.75278 2.675489  -11.99266      5.350977 
1 1 1 3   9  19 o 198.7606 3.101718  -1.124985      6.203435 
1 1 1 3   9  20 o 51.88810 3.220022  2.703049       6.440044 
1 1 1 3   9  21 o 48.61256 3.912711  -18.78025      7.825422 
1 1 1 3   9  22 o 113.7863 2.848445  -6.592735      5.696890 
1 1 1 3   9  23 o 127.4299 3.104188  11.13955       6.208376 
1 1 1 3   9  24 o 36.05462 3.625538  ?              ?        
1 1 1 3   9  25 o 80.19850 3.140594  -5.115715      6.281188 
1 1 1 3   9  26 o 43.22930 3.091314  ?              ?        
1 1 1 3   9  27 o 101.5307 3.139700  -6.627815      6.279400 
1 1 1 3   9  28 o 83.72970 3.158586  -0.7032166     6.317171 
1 1 1 3   9  29 f 24.19844 5.306345  -8.514189      10.61269 
1 1 1 3   9  30 o 29.39965 3.994690  -7.694794      7.989381 
1 1 1 3   9  31 o 12.97647 3.868681  -6.911381      7.737363 
1 1 1 3   9  32 o 23.39285 3.844587  -18.81536      7.689175 
1 1 1 3   9  33 o 14.82706 4.623939  -2.673641      9.247877 
1 1 1 3   10 0  x ?        ?         ?              ?        
1 1 1 3   10 1  x ?        ?         ?              ?        
1 1 1 3   10 2  f 105.4661 3.513146  ?              ?        
1 1 1 3   10 3  o 145.7824 3.859238  ?              ?        
1 1 1 3   10 4  o 240.7518 3.725759  ?              ?        
1 1 1 3   10 5  o 54.05284 3.897695  ?              ?        
1 1 1 3   10 6  o 105.6003 3.799608  ?              ?        
1 1 1 3   10 7  x ?        ?         ?              ?        
1 1 1 3   10 8  o 172.9785 3.168782  -9.332611      6.337564 
1 1 1 3   10 9  f 489.9315 6.819091  -10.35080      13.63818 
1 1 1 3   10 10 o 188.3368 4.791487  ?              ?        
1 1 1 3   10 11 o 148.7823 4.404484  ?              ?        
1 1 1 3   10 12 o 198.0972 3.517401  9.257736       7.034803 
1 1 1 3   10 13 o 374.8168 4.749434  2.009491       9.498869 
1 1 1 3   10 14 o 156.7507 3.210374  -4.045776      6.420747 
1 1 1 3   10 15 o 205.9569 3.624545  4.463669       7.249090 
1 1 1 3   10 16 o 88.80158 2.663648  -4.339691      5.327295 
1 1 1 3   10 17 o 26.35533 4.781183  -4.014748      9.562366 
1 1 1 3   10 18 o 84.11646 2.689617  -3.681641      5.379235 
1 1 1 3   10 19 o 51.26113 3.118509  3.963711       6.237019 
1 1 1 3   10 20 o 54.24975 3.323251  1.438087       6.646502 
1 1 1 3   10 21 o 39.36922 4.813351  -11.31622      9.626701 
1 1 1 3   10 22 o 63.16574 3.578784  0.7595062      7.157568 
1 1 1 3   10 23 o 80.72726 3.191389  1.124435       6.382778 
1 1 1 3   10 24 o 72.85446 2.775411  ?              ?        
1 1 1 3   10 25 f 76.77982 3.445102  -1.710747      6.890205 
1 1 1 3   10 26 o 49.81766 4.918967  -27.67655      9.837934 
1 1 1 3   10 27 o 35.88535 5.084978  -8.165899      10.16996 
1 1 1 3   10 28 o 111.5706 3.439136  -4.669296      6.878273 
1 1 1 3   10 29 o 84.73079 5.197402  ?              ?        
1 1 1 3   10 30 o 27.22261 7.223570  ?              ?        
1 1 1 3   10 31 o 39.67819 3.610804  -25.02016      7.221609 
1 1 1 3   10 32 o 25.77763 4.844410  -24.92796      9.688820 
1 1 1 3   10 33 o 31.52458 3.989541  -25.51501      7.979081 
1 1 1 3   11 0  o 489.6393 9.598366  ?              ?        
1 1 1 3   11 1  o 330.5193 6.766694  ?              ?        
1 1 1 3   11 2  o 190.5743 3.245365  ?              ?        
1 1 1 3   11 3  o 282.1125 4.222586  ?              ?        
1 1 1 3   11 4  o 256.6916 3.945632  ?              ?        
1 1 1 3   11 5  o 108.8903 3.853889  ?              ?        
1 1 1 3   11 6  o 315.6063 6.617380  ?              ?        
1 1 1 3   11 7  x ?        ?         ?              ?        
1 1 1 3   11 8  o 96.60349 2.980475  7.431015       5.960951 
1 1 1 3   11 9  o 160.4536 3.192648  -3.489471      6.385295 
1 1 1 3   11 10 o 203.4743 3.571508  -13.39253      7.143017 
1 1 1 3   11 11 o 84.03122 3.192150  0.9268951      6.384300 
1 1 1 3   11 12 o 65.31210 3.611683  9.194237       7.223366 
1 1 1 3   11 13 o 290.2935 4.524482  -10.12738      9.048964 
1 1 1 3   11 14 o 312.5850 4.140185  -1.845398      8.280371 
1 1 1 3   11 15 o 209.7247 3.226673  0.2471771      6.453345 
1 1 1 3   11 16 o 71.35150 2.866440  -6.220650      5.732881 
1 1 1 3   11 17 o 60.79698 3.030661  14.04238       6.061322 
1 1 1 3   11 18 o 125.8880 2.807862  -6.752388      5.615724 
1 1 1 3   11 19 o 107.8494 2.857397  0.6638107      5.714793 
1 1 1 3   11 20 o 129.4919 3.202028  -8.700974      6.404056 
1 1 1 3   11 21 o 47.58934 4.398756  -15.89015      8.797511 
1 1 1 3   11 22 o 83.50261 3.205548  0.1443787      6.411096 
1 1 1 3   11 23 o 104.7298 2.942404  ?              ?        
1 1 1 3   11 24 o 87.12126 2.971612  ?              ?        
1 1 1 3   11 25 o 41.05966 4.920760  2.398228       9.841520 
1 1 1 3   11 26 o 41.28514 5.533871  5.030029       11.06774 
1 1 1 3   11 27 o 42.37278 4.947200  -15.41915      9.894401 
1 1 1 3   11 28 o 75.12015 3.284459  -14.41410      6.568917 
1 1 1 3   11 29 o 19.93330 4.670385  -2.552620      9.340770 
1 1 1 3   11 30 o 21.75866 4.690679  -6.356075      9.381358 
1 1 1 3   11 31 o 46.90001 4.415596  ?              ?        
1 1 1 3   11 32 o 17.97962 6.725365  ?              ?        
1 1 1 3   12 0  o 251.2521 5.598304  ?              ?        
1 1 1 3   12 1  o 326.7745 6.780422  ?              ?        
1 1 1 3   12 2  o 278.5700 4.230450  ?              ?        
1 1 1 3   12 3  o 223.1904 3.627967  ?              ?        
1 1 1 3   12 4  o 303.0875 4.520761  ?              ?        
1 1 1 3   12 5  o 290.8904 6.244163  ?              ?        
1 1 1 3   12 6  o 222.7336 5.279693  ?              ?        
1 1 1 3   12 7  x ?        ?         ?              ?        
1 1 1 3   12 8  o 142.8543 4.497931  ?              ?        
1 1 1 3   12 9  f 279.5059 4.359927  0.8767090      8.719854 
1 1 1 3   12 10 o 291.5354 4.508209  -4.265533      9.016418 
1 1 1 3   12 11 o 90.99875 3.198336  -0.8674088     6.396672 
1 1 1 3   12 12 o 158.7662 3.325710  12.85614       6.651420 
1 1 1 3   12 13 o 81.92165 3.257863  1.855957       6.515726 
1 1 1 3   12 14 o 179.4485 3.053132  2.848740       6.106263 
1 1 1 3   12 15 o 78.53186 2.855737  8.498161       5.711474 
1 1 1 3   12 16 o 103.8024 2.766907  -3.519005      5.533814 
1 1 1 3   12 17 o 145.9605 3.358796  -3.412476      6.717592 
1 1 1 3   12 18 o 74.72873 2.986770  -3.418304      5.973540 
1 1 1 3   12 19 o 117.8795 2.942502  -3.474815      5.885005 
1 1 1 3   12 20 o 141.9198 3.220369  ?              ?        
1 1 1 3   12 21 o 124.8512 3.149836  ?              ?        
1 1 1 3   12 22 o 79.37103 3.350726  -4.457199      6.701452 
1 1 1 3   12 23 o 71.65319 3.495961  2.280777       6.991922 
1 1 1 3   12 24 o 42.24350 5.554212  ?              ?        
1 1 1 3   12 25 o 92.97459 3.768222  -7.019264      7.536444 
1 1 1 3   12 26 o 36.94577 5.150267  -9.086967      10.30053 
1 1 1 3   12 27 o 49.02114 4.133893  -17.19640      8.267785 
1 1 1 3   12 28 o 21.08757 4.901739  0.3418789      9.803478 
1 1 1 3   12 29 o 84.87603 3.058611  -25.07425      6.117221 
1 1 1 3   12 30 o 46.47832 5.149542  ?              ?        
1 1 1 3   12 31 o 21.34504 6.608969  ?              ?        
1 1 1 3   12 32 o 12.77953 5.672682  ?              ?        
1 1 1 3   13 0  o 224.6713 5.338612  ?              ?        
1 1 1 3   13 1  o 89.25272 4.228642  ?              ?        
1 1 1 3   13 2  o 88.96055 3.019065  ?              ?        
1 1 1 3   13 3  o 263.6586 4.136614  ?              ?        
1 1 1 3   13 4  o 131.5746 3.084178  ?              ?        
1 1 1 3   13 5  o 113.1221 2.999269  ?              ?        
1 1 1 3   13 6  o 137.5679 4.550094  ?              ?        
1 1 1 3   13 7  x ?        ?         ?              ?        
1 1 1 3   13 8  o 323.0995 6.984945  ?              ?        
1 1 1 3   13 9  o 153.6266 3.350153  -0.2045593     6.700305 
1 1 1 3   13 10 o 101.5287 3.133187  4.987724       6.266375 
1 1 1 3   13 11 o 38.15184 4.903010  -9.163269      9.806020 
1 1 1 3   13 12 o 186.9515 3.578798  9.683899       7.157596 
1 1 1 3   13 13 o 46.98927 3.983263  3.644032       7.966527 
1 1 1 3   13 14 f 144.4666 4.709446  ?              ?        
1 1 1 3   13 15 o 20.79651 5.430072  -10.63972      10.86014 
1 1 1 3   13 16 o 32.59927 4.692718  -16.28864      9.385435 
1 1 1 3   13 17 o 89.83224 2.983043  -8.448547      5.966086 
1 1 1 3   13 18 o 73.93221 3.515574  ?              ?        
1 1 1 3   13 19 o 52.14022 3.858357  2.773991       7.716714 
1 1 1 3   13 20 f 169.1549 3.261303  -7.210266      6.522606 
1 1 1 3   13 21 o 143.7108 3.188966  -0.1797638     6.377932 
1 1 1 3   13 22 o 113.5957 3.751132  6.394699       7.502264 
1 1 1 3   13 23 o 108.6846 3.849621  14.55612       7.699243 
1 1 1 3   13 24 f 125.0773 4.224016  ?              ?        
1 1 1 3   13 25 o 62.72212 3.722759  3.492867       7.445517 
1 1 1 3   13 26 o 22.97770 5.358956  1.821020       10.71791 
1 1 1 3   13 27 o 48.72072 3.996697  -10.96625      7.993395 
1 1 1 3   13 28 o 46.99683 4.181631  -19.53191      8.363261 
1 1 1 3   13 29 o 40.53019 5.312187  ?              ?        
1 1 1 3   13 30 o 31.33010 4.289636  ?              ?        
1 1 1 3   13 31 o 11.71844 3.774561  0.8919992      7.549122 
1 1 1 3   14 0  o 295.1917 6.469156  ?              ?        
1 1 1 3   14 1  o 92.86249 3.191437  ?              ?        
1 1 1 3   14 2  o 210.3985 3.670926  ?              ?        
1 1 1 3   14 3  o 176.3072 3.379847  ?              ?        
1 1 1 3   14 4  o 124.0372 3.085399  ?              ?        
1 1 1 3   14 5  o 299.5916 4.604524  ?              ?        
1 1 1 3   14 6  o 56.10188 5.667784  ?              ?        
1 1 1 3   14 7  o 254.4554 5.973691  ?              ?        
1 1 1 3   14 8  o 91.28422 4.675943  ?              ?        
1 1 1 3   14 9  o 43.83098 6.640105  ?              ?        
1 1 1 3   14 10 o 86.10316 4.648264  ?              ?        
1 1 1 3   14 11 o 113.3636 4.525986  ?              ?        
1 1 1 3   14 12 o 108.4765 3.279684  -14.42970      6.559369 
1 1 1 3   14 13 o 85.73949 3.355328  -0.5108719     6.710657 
1 1 1 3   14 14 o 87.18626 3.277821  -6.102516      6.555643 
1 1 1 3   14 15 o 212.4321 5.500484  ?              ?        
1 1 1 3   14 16 o 48.20897 4.476960  -16.50262      8.953920 
1 1 1 3   14 17 o 14.99732 4.677437  -1.092541      9.354875 
1 1 1 3   14 18 o 44.28507 4.198814  9.297989       8.397628 
1 1 1 3   14 19 o 45.76957 4.313813  17.68247       8.627625 
1 1 1 3   14 20 o 107.1119 3.734338  -1.060059      7.468676 
1 1 1 3   14 21 o 94.25568 3.397226  -4.389130      6.794452 
1 1 1 3   14 22 o 65.64064 3.876060  2.840347       7.752121 
1 1 1 3   14 23 o 29.72447 5.782659  -5.881611      11.56532 
1 1 1 3   14 24 o 95.66287 4.312116  ?              ?        
1 1 1 3   14 25 f 112.2861 3.487338  -19.87068      6.974675 
1 1 1 3   14 26 o 48.90617 3.555348  8.728516       7.110695 
1 1 1 3   14 27 o 62.88325 3.460395  -19.01302      6.920791 
1 1 1 3   14 28 f 13.93118 5.620567  ?              ?        
1 1 1 3   14 29 o 16.05539 4.154045  -6.773868      8.308090 
1 1 1 3   14 30 f 14.92066 4.023722  -5.387249      8.047444 
1 1 1 3   15 0  f 102.8205 4.913054  ?              ?        
1 1 1 3   15 1  o 258.8887 5.981753  ?              ?        
1 1 1 3   15 2  o 307.8336 6.724963  ?              ?        
1 1 1 3   15 3  o 167.4820 4.835972  ?              ?        
1 1 1 3   15 4  o 47.42361 5.764422  ?              ?        
1 1 1 3   15 5  o 321.9200 4.920725  ?              ?        
1 1 1 3   15 6  o 125.8494 3.225781  ?              ?        
1 1 1 3   15 7  o 71.41824 5.076416  ?              ?        
1 1 1 3   15 8  o 123.2931 4.689760  ?              ?        
1 1 1 3   15 9  o 94.64732 4.792440  ?              ?        
1 1 1 3   15 10 o 179.9399 5.134502  ?              ?        
1 1 1 3   15 11 o 27.27836 8.108075  ?              ?        
1 1 1 3   15 12 o 117.3852 4.755296  ?              ?        
1 1 1 3   15 13 o 125.5384 3.366120  3.356812       6.732241 
1 1 1 3   15 14 o 104.5688 3.400542  -6.627144      6.801084 
1 1 1 3   15 15 o 181.0060 3.761413  -11.43236      7.522827 
1 1 1 3   15 16 o 115.9699 3.450802  -1.870827      6.901603 
1 1 1 3   15 17 o 79.20128 3.740587  4.905403       7.481173 
1 1 1 3   15 18 o 40.42013 5.181325  5.509979       10.36265 
1 1 1 3   15 19 f 68.62837 3.842740  -4.543388      7.685479 
1 1 1 3   15 20 o 112.1155 3.308312  -1.193954      6.616624 
1 1 1 3   15 21 f 49.00623 4.527822  3.436966       9.055645 
1 1 1 3   15 22 o 18.40351 5.355219  -4.308155      10.71044 
1 1 1 3   15 23 f 76.64297 4.007625  -12.74033      8.015249 
1 1 1 3   15 24 o 47.05217 4.919771  24.11707       9.839542 
1 1 1 3   15 25 o 20.43260 4.624299  -9.239147      9.248598 
1 1 1 3   15 26 o 58.57391 3.396451  ?              ?        
1 1 1 3   15 27 o 12.70681 4.016329  3.991777       8.032659 
1 1 1 3   15 28 o 21.39530 4.539356  4.318542       9.078712 
1 1 1 3   15 29 o 44.04674 3.346215  -16.76417      6.692430 
1 1 1 3   15 30 o 18.06753 3.860367  -13.43224      7.720734 
1 1 1 3   16 0  o 377.3242 7.936544  ?              ?        
1 1 1 3   16 1  o 32.81863 5.986763  ?              ?        
1 1 1 3   16 2  o 86.40820 3.209468  ?              ?        
1 1 1 3   16 3  f 80.43836 3.374204  ?              ?        
1 1 1 3   16 4  o 172.0436 3.512325  ?              ?        
1 1 1 3   16 5  o 90.33356 3.236951  ?              ?        
1 1 1 3   16 6  o 119.3788 3.249743  ?              ?        
1 1 1 3   16 7  o 164.8303 5.007551  ?              ?        
1 1 1 3   16 8  o 150.5022 4.882412  ?              ?        
1 1 1 3   16 9  o 101.0911 4.773511  ?              ?        
1 1 1 3   16 10 o 76.25977 5.079606  ?              ?        
1 1 1 3   16 11 o 38.37135 7.435543  ?              ?        
1 1 1 3   16 12 o 152.1701 3.533486  -4.982605      7.066972 
1 1 1 3   16 13 o 109.6406 3.441492  -4.361435      6.882984 
1 1 1 3   16 14 o 80.67326 3.696192  9.204842       7.392384 
1 1 1 3   16 15 o 162.0671 3.736079  10.95891       7.472157 
1 1 1 3   16 16 o 124.9423 3.712059  7.835876       7.424117 
1 1 1 3   16 17 o 118.3584 3.303861  7.378052       6.607722 
1 1 1 3   16 18 o 28.38179 6.234633  5.802011       12.46927 
1 1 1 3   16 19 o 65.69764 4.114876  8.391651       8.229752 
1 1 1 3   16 20 o 21.20461 5.928193  -1.505087      11.85639 
1 1 1 3   16 21 o 31.83256 6.564546  -5.204142      13.12909 
1 1 1 3   16 22 o 58.41102 4.270126  -0.4851799     8.540253 
1 1 1 3   16 23 o 26.84462 5.731687  4.325943       11.46337 
1 1 1 3   16 24 o 63.75407 5.081870  ?              ?        
1 1 1 3   16 25 o 40.75636 4.158897  -5.572613      8.317794 
1 1 1 3   16 26 o 24.68126 4.163246  -16.62667      8.326492 
1 1 1 3   16 27 o 29.93626 4.019071  -13.98544      8.038142 
1 1 1 3   16 28 f 17.44279 4.424780  3.016757       8.849560 
1 1 1 3   16 29 o 17.36274 4.467860  -10.21786      8.935720 
1 1 1 3   17 0  o 28.05520 6.099092  ?              ?        
1 1 1 3   17 1  f 196.6276 3.710751  ?              ?        
1 1 1 3   17 2  o 75.93767 3.370121  ?              ?        
1 1 1 3   17 3  o 231.8545 4.026975  ?              ?        
1 1 1 3   17 4  o 121.2223 4.616958  ?              ?        
1 1 1 3   17 5  o 128.9908 3.287637  ?              ?        
1 1 1 3   17 6  o 161.8192 3.460171  ?              ?        
1 1 1 3   17 7  o 75.12666 3.383086  ?              ?        
1 1 1 3   17 8  o 120.1319 4.697627  ?              ?        
1 1 1 3   17 9  o 72.68025 5.032127  ?              ?        
1 1 1 3   17 10 o 60.88718 5.914798  ?              ?        
1 1 1 3   17 11 o 244.5113 6.207773  ?              ?        
1 1 1 3   17 12 o 102.5468 5.122630  ?              ?        
1 1 1 3   17 13 o 103.9133 3.594075  -10.52655      7.188151 
1 1 1 3   17 14 o 79.58429 3.856467  6.568428       7.712935 
1 1 1 3   17 15 o 71.92709 4.133488  -0.1053619     8.266976 
1 1 1 3   17 16 o 206.5345 4.149981  3.809464       8.299961 
1 1 1 3   17 17 o 25.36752 6.035195  12.64857       12.07039 
1 1 1 3   17 18 o 39.92206 7.001902  8.567589       14.00380 
1 1 1 3   17 19 o 40.25260 5.747818  17.76560       11.49564 
1 1 1 3   17 20 o 19.08339 5.523328  -3.355104      11.04666 
1 1 1 3   17 21 o 34.13564 8.607630  ?              ?        
1 1 1 3   17 22 o 52.06564 4.468834  ?              ?        
1 1 1 3   17 23 o 37.13660 5.052070  2.128288       10.10414 
1 1 1 3   17 24 o 62.87006 3.324085  0.1457214E-02  6.648169 
1 1 1 3   17 25 o 30.13530 4.538624  -14.79977      9.077248 
1 1 1 3   17 26 o 35.15166 3.606050  7.106543       7.212101 
1 1 1 3   17 27 o 16.65195 4.554194  -4.059343      9.108388 
1 1 1 3   17 28 o 32.71193 6.487749  ?              ?        
1 1 1 3   18 0  o 55.36148 3.809119  ?              ?        
1 1 1 3   18 1  o 173.3102 3.596443  ?              ?        
1 1 1 3   18 2  o 86.22654 3.273329  ?              ?        
1 1 1 3   18 3  o 49.35825 4.081313  ?              ?        
1 1 1 3   18 4  o 117.5471 4.731590  ?              ?        
1 1 1 3   18 5  o 33.94647 5.174146  ?              ?        
1 1 1 3   18 6  o 13.81125 5.850624  ?              ?        
1 1 1 3   18 7  o 113.3979 3.348198  ?              ?        
1 1 1 3   18 8  o 50.61202 6.133130  ?              ?        
1 1 1 3   18 9  o 60.37876 5.681348  ?              ?        
1 1 1 3   18 10 o 154.9237 5.345340  ?              ?        
1 1 1 3   18 11 o 34.54392 8.934418  ?              ?        
1 1 1 3   18 12 o 91.51831 5.336810  ?              ?        
1 1 1 3   18 13 o 38.54921 9.221764  ?              ?        
1 1 1 3   18 14 o 93.12430 5.520398  ?              ?        
1 1 1 3   18 15 f 100.1605 5.468048  ?              ?        
1 1 1 3   18 16 o 51.79115 5.218259  -5.125134      10.43652 
1 1 1 3   18 17 o 95.33253 3.970560  1.989090       7.941119 
1 1 1 3   18 18 o 36.64382 7.633008  ?              ?        
1 1 1 3   18 19 o 72.47172 4.385666  ?              ?        
1 1 1 3   18 20 o 21.00764 5.969288  5.629942       11.93858 
1 1 1 3   18 21 o 81.94301 3.454631  11.38367       6.909263 
1 1 1 3   18 22 o 24.88443 5.561738  13.67207       11.12348 
1 1 1 3   18 23 o 26.27606 5.211055  12.62885       10.42211 
1 1 1 3   18 24 o 50.37241 4.013710  8.469345       8.027419 
1 1 1 3   18 25 o 19.87160 4.490431  -7.283129      8.980862 
1 1 1 3   18 26 o 20.00760 4.174955  -11.16469      8.349911 
1 1 1 3   18 27 o 28.45354 4.156689  -6.617849      8.313377 
1 1 1 3   19 0  o 120.1348 3.394480  ?              ?        
1 1 1 3   19 1  o 160.2860 3.579651  ?              ?        
1 1 1 3   19 2  o 61.16221 3.964428  ?              ?        
1 1 1 3   19 3  o 157.7134 3.599814  ?              ?        
1 1 1 3   19 4  o 106.0185 3.483839  ?              ?        
1 1 1 3   19 5  o 188.1612 3.820267  ?              ?        
1 1 1 3   19 6  o 103.7149 3.428524  ?              ?        
1 1 1 3   19 7  o 69.25557 3.724840  ?              ?        
1 1 1 3   19 8  o 23.52426 7.207777  ?              ?        
1 1 1 3   19 9  x ?        ?         ?              ?        
1 1 1 3   19 10 x ?        ?         ?              ?        
1 1 1 3   19 11 o 161.9630 5.539453  ?              ?        
1 1 1 3   19 12 o 24.43923 9.065500  ?              ?        
1 1 1 3   19 13 o 39.91638 9.786638  ?              ?        
1 1 1 3   19 14 o 49.74352 8.201519  ?              ?        
1 1 1 3   19 15 o 111.3199 5.823457  ?              ?        
1 1 1 3   19 16 o 57.59266 5.587121  21.89783       11.17424 
1 1 1 3   19 17 o 127.0114 3.936562  -4.840607      7.873125 
1 1 1 3   19 18 o 86.05222 3.692292  2.045769       7.384583 
1 1 1 3   19 19 o 52.88322 4.253059  6.867737       8.506118 
1 1 1 3   19 20 o 27.40139 5.646879  0.8905392      11.29376 
1 1 1 3   19 21 o 75.92924 3.962940  6.383492       7.925881 
1 1 1 3   19 22 o 47.34271 4.001911  -4.715839      8.003821 
1 1 1 3   19 23 o 79.24393 3.123104  -3.210907      6.246207 
1 1 1 3   19 24 o 17.68074 4.578714  2.693979       9.157429 
1 1 1 3   19 25 o 46.60408 3.233812  3.882168       6.467624 
1 1 1 3   19 26 f 43.92678 3.953113  -2.900059      7.906226 
1 1 1 3   20 0  o 106.8248 5.029281  ?              ?        
1 1 1 3   20 1  o 107.6422 5.030359  ?              ?        
1 1 1 3   20 2  o 108.2080 5.106899  ?              ?        
1 1 1 3   20 3  o 68.26798 5.664099  ?              ?        
1 1 1 3   20 4  o 90.75868 5.266597  ?              ?        
1 1 1 3   20 5  o 131.0463 5.368872  ?              ?        
1 1 1 3   20 6  o 80.78362 5.522877  ?              ?        
1 1 1 3   20 7  o 63.11641 6.053976  ?              ?        
1 1 1 3   20 8  o 74.63754 5.860812  ?              ?        
1 1 1 3   20 9  o 73.71398 5.812431  ?              ?        
1 1 1 3   20 10 o 94.83470 5.768850  ?              ?        
1 1 1 3   20 11 o 40.72664 9.273664  ?              ?        
1 1 1 3   20 12 o 62.23217 7.368047  ?              ?        
1 1 1 3   20 13 o 42.77363 10.11877  ?              ?        
1 1 1 3   20 14 o 108.8649 5.831606  ?              ?        
1 1 1 3   20 15 o 25.88415 9.788412  ?              ?        
1 1 1 3   20 16 o 72.17149 6.310168  ?              ?        
1 1 1 3   20 17 o 86.17090 4.086419  -3.980949      8.172837 
1 1 1 3   20 18 o 73.13393 4.224186  -1.638657      8.448373 
1 1 1 3   20 19 o 34.96835 5.194961  -0.1369858E-01 10.38992 
1 1 1 3   20 20 o 61.60588 3.840466  8.871372       7.680932 
1 1 1 3   20 21 o 48.08594 3.831032  -15.85985      7.662064 
1 1 1 3   20 22 o 63.28622 3.183060  -3.575375      6.366119 
1 1 1 3   20 23 o 24.07736 5.291879  11.94606       10.58376 
1 1 1 3   20 24 o 36.11626 4.086245  -9.282154      8.172490 
1 1 1 3   20 25 o 31.64387 4.000109  -12.23203      8.000217 
1 1 1 3   21 0  o 69.63231 3.938267  ?              ?        
1 1 1 3   21 1  o 106.1972 3.703835  ?              ?        
1 1 1 3   21 2  o 149.1800 3.761356  ?              ?        
1 1 1 3   21 3  o 127.0956 3.692642  ?              ?        
1 1 1 3   21 4  o 79.02556 4.022342  ?              ?        
1 1 1 3   21 5  o 96.52723 3.921046  ?              ?        
1 1 1 3   21 6  o 60.71244 4.540595  ?              ?        
1 1 1 3   21 7  o 47.42164 4.944478  ?              ?        
1 1 1 3   21 8  o 118.9979 3.798989  ?              ?        
1 1 1 3   21 9  o 135.2814 3.826229  ?              ?        
1 1 1 3   21 10 o 87.97823 3.961257  ?              ?        
1 1 1 3   21 11 o 34.39173 9.797721  ?              ?        
1 1 1 3   21 12 o 68.98216 6.997419  ?              ?        
1 1 1 3   21 13 o 130.2150 5.924747  ?              ?        
1 1 1 3   21 14 o 47.08578 9.739273  ?              ?        
1 1 1 3   21 15 o 55.65660 7.743364  ?              ?        
1 1 1 3   21 16 o 50.31768 7.558247  ?              ?        
1 1 1 3   21 17 o 33.39899 9.562823  ?              ?        
1 1 1 3   21 18 o 76.63361 5.407974  ?              ?        
1 1 1 3   21 19 o 43.87791 4.262447  4.512726       8.524895 
1 1 1 3   21 20 o 36.53231 7.933927  ?              ?        
1 1 1 3   21 21 o 44.35448 3.737693  -3.402809      7.475386 
1 1 1 3   21 22 o 18.68660 4.208037  -10.06611      8.416075 
1 1 1 3   21 23 o 14.51287 5.704329  ?              ?        
1 1 1 3   21 24 o 13.32278 4.088152  0.1283779      8.176304 
1 1 1 3   22 0  o 113.2559 3.829411  ?              ?        
1 1 1 3   22 1  o 54.90546 4.897427  ?              ?        
1 1 1 3   22 2  o 85.21242 4.058381  ?              ?        
1 1 1 3   22 3  f 107.0451 3.915698  ?              ?        
1 1 1 3   22 4  o 31.29221 7.589673  ?              ?        
1 1 1 3   22 5  o 44.74538 5.545626  ?              ?        
1 1 1 3   22 6  o 118.2473 3.889098  ?              ?        
1 1 1 3   22 7  o 50.83389 5.068684  ?              ?        
1 1 1 3   22 8  o 107.8628 3.940871  ?              ?        
1 1 1 3   22 9  o 67.30414 4.276116  ?              ?        
1 1 1 3   22 10 o 38.60032 6.136293  ?              ?        
1 1 1 3   22 11 o 141.4497 3.972431  ?              ?        
1 1 1 3   22 12 o 25.90553 9.521980  ?              ?        
1 1 1 3   22 13 o 24.25794 9.566774  ?              ?        
1 1 1 3   22 14 o 47.56900 8.752181  ?              ?        
1 1 1 3   22 15 o 35.76539 9.619787  ?              ?        
1 1 1 3   22 16 x ?        ?         ?              ?        
1 1 1 3   22 17 x ?        ?         ?              ?        
1 1 1 3   22 18 o 36.65430 7.226557  ?              ?        
1 1 1 3   22 19 o 14.96626 6.084267  ?              ?        
1 1 1 3   22 20 o 63.05035 3.749739  ?              ?        
1 1 1 3   22 21 o 15.09957 4.445250  -0.6962986     8.890499 
1 1 1 3   22 22 o 30.92948 4.177958  -2.142355      8.355916 
1 1 1 3   22 23 o 30.20519 3.943797  -23.83208      7.887595 
1 1 1 3   23 0  o 71.37995 6.731017  ?              ?        
1 1 1 3   23 1  f 15.93404 7.028695  ?              ?        
1 1 1 3   23 2  o 16.54408 7.159664  ?              ?        
1 1 1 3   23 3  o 104.5601 5.864563  ?              ?        
1 1 1 3   23 4  o 21.10535 7.797220  ?              ?        
1 1 1 3   23 5  o 60.08056 5.114584  ?              ?        
1 1 1 3   23 6  o 46.09183 6.133376  ?              ?        
1 1 1 3   23 7  o 62.44690 4.881479  ?              ?        
1 1 1 3   23 8  o 31.83985 7.283280  ?              ?        
1 1 1 3   23 9  o 59.32471 4.751583  ?              ?        
1 1 1 3   23 10 o 59.45247 4.671767  ?              ?        
1 1 1 3   23 11 o 66.58566 5.887721  ?              ?        
1 1 1 3   23 12 o 64.37138 6.138061  ?              ?        
1 1 1 3   23 13 o 18.23178 8.096014  ?              ?        
1 1 1 3   23 14 o 25.52544 8.721620  ?              ?        
1 1 1 3   23 15 o 30.58138 9.152895  ?              ?        
1 1 1 3   23 16 o 49.60722 6.005173  ?              ?        
1 1 1 3   23 17 o 22.40927 7.803402  ?              ?        
1 1 1 3   23 18 o 57.84885 4.738962  ?              ?        
1 1 1 3   23 19 o 53.23109 5.032342  ?              ?        
1 1 1 3   23 20 o 12.41189 5.464030  ?              ?        
1 1 1 3   23 21 o 38.47615 4.227555  ?              ?        
1 1 1 3   23 22 o 39.85355 4.166585  ?              ?        
1 1 1 3   24 0  o 42.29957 9.465628  ?              ?        
1 1 1 3   24 1  o 29.83600 9.955043  ?              ?        
1 1 1 3   24 2  o 50.49039 9.027921  ?              ?        
1 1 1 3   24 3  o 99.66074 6.003494  ?              ?        
1 1 1 3   24 4  o 55.87625 7.809662  ?              ?        
1 1 1 3   24 5  o 76.00471 6.266187  ?              ?        
1 1 1 3   24 6  o 31.57613 7.538795  ?              ?        
1 1 1 3   24 7  f 17.34550 7.262906  ?              ?        
1 1 1 3   24 8  o 33.62218 7.077466  ?              ?        
1 1 1 3   24 9  o 42.72354 5.355726  ?              ?        
1 1 1 3   24 10 o 58.68497 4.470072  ?              ?        
1 1 1 3   24 11 o 33.30899 6.614976  ?              ?        
1 1 1 3   24 12 o 16.74902 7.425867  ?              ?        
1 1 1 3   24 13 o 17.27223 7.599172  ?              ?        
1 1 1 3   24 14 o 20.27082 7.322384  ?              ?        
1 1 1 3   24 15 o 25.31958 7.218630  ?              ?        
1 1 1 3   24 16 o 18.69546 7.115727  ?              ?        
1 1 1 3   24 17 o 53.83004 4.531563  ?              ?        
1 1 1 3   24 18 o 31.35198 6.657793  ?              ?        
1 1 1 3   24 19 o 14.40046 6.178407  ?              ?        
1 1 1 3   24 20 o 25.95790 5.921963  ?              ?        
1 1 1 3   25 0  o 26.44732 9.439976  ?              ?        
1 1 1 3   25 1  o 38.80708 6.411427  ?              ?        
1 1 1 3   25 2  o 25.01291 7.871290  ?              ?        
1 1 1 3   25 3  o 32.20839 7.177381  ?              ?        
1 1 1 3   25 4  o 81.47151 4.229947  ?              ?        
1 1 1 3   25 5  f 68.18671 4.480525  ?              ?        
1 1 1 3   25 6  f 12.66301 5.949669  ?              ?        
1 1 1 3   25 7  o 33.29081 6.194373  ?              ?        
1 1 1 3   25 8  o 66.68166 4.228665  ?              ?        
1 1 1 3   25 9  o 15.37978 6.439417  ?              ?        
1 1 1 3   25 10 o 10.67136 5.151074  ?              ?        
1 1 1 3   25 11 o 49.01171 4.594151  ?              ?        
1 1 1 3   25 12 o 27.03539 6.005597  ?              ?        
1 1 1 3   25 13 o 54.37588 3.773216  ?              ?        
1 1 1 3   25 14 o 22.06378 5.587684  ?              ?        
1 1 1 3   25 15 o 29.99018 6.425508  ?              ?        
1 1 1 3   25 16 o 13.22140 5.873041  ?              ?        
1 1 1 3   25 17 o 9.329255 4.547165  ?              ?        
1 1 1 3   25 18 o 16.24337 6.488721  ?              ?        
1 1 1 3   25 19 o 11.02336 5.224936  ?              ?        
1 1 1 3   26 0  o 46.23252 7.224509  ?              ?        
1 1 1 3   26 1  o 76.13657 4.067148  ?              ?        
1 1 1 3   26 2  o 40.52174 5.325571  ?              ?        
1 1 1 3   26 3  o 19.29502 7.022651  ?              ?        
1 1 1 3   26 4  o 59.91929 4.101435  ?              ?        
1 1 1 3   26 5  o 11.16440 5.332160  ?              ?        
1 1 1 3   26 6  x ?        ?         ?              ?        
1 1 1 3   26 7  o 24.67999 6.899711  ?              ?        
1 1 1 3   26 8  o 25.64969 6.645329  ?              ?        
1 1 1 3   26 9  o 12.36720 5.530205  ?              ?        
1 1 1 3   26 10 o 28.33419 6.242321  ?              ?        
1 1 1 3   26 11 o 56.81680 3.603529  ?              ?        
1 1 1 3   26 12 o 30.26262 4.682209  ?              ?        
1 1 1 3   26 13 o 23.78947 5.515485  ?              ?        
1 1 1 3   26 14 o 35.84220 4.053580  ?              ?        
1 1 1 3   26 15 o 19.68510 5.707586  ?              ?        
1 1 1 3   26 16 o 8.634239 4.196001  ?              ?        
1 1 1 3   26 17 x ?        ?         ?              ?        
1 1 1 3   27 0  o 46.07108 7.020296  ?              ?        
1 1 1 3   27 1  o 45.10061 6.370351  ?              ?        
1 1 1 3   27 2  o 29.42117 6.298094  ?              ?        
1 1 1 3   27 3  o 19.65321 6.596773  ?              ?        
1 1 1 3   27 4  o 42.13919 4.675518  ?              ?        
1 1 1 3   27 5  o 15.29221 6.270099  ?              ?        
1 1 1 3   27 6  o 21.47255 6.397969  ?              ?        
1 1 1 3   27 7  o 11.56296 5.173277  ?              ?        
1 1 1 3   27 8  o 36.83627 3.877552  ?              ?        
1 1 1 3   27 9  o 33.76484 4.108655  ?              ?        
1 1 1 3   27 10 o 21.20189 5.731555  ?              ?        
1 1 1 3   27 11 o 18.26880 6.818675  ?              ?        
1 1 1 3   27 12 o 10.99401 5.195253  ?              ?        
1 1 1 3   27 13 o 8.224307 4.112152  ?              ?        
1 1 1 3   27 14 o 30.87254 6.406454  ?              ?        
1 1 1 3   28 0  o 20.03694 6.641634  ?              ?        
1 1 1 3   28 1  o 30.16264 7.085656  ?              ?        
1 1 1 3   28 2  x ?        ?         ?              ?        
1 1 1 3   28 3  o 41.27616 5.260597  ?              ?        
1 1 1 3   28 4  o 16.70047 6.398633  ?              ?        
1 1 1 3   28 5  o 26.23201 6.963605  ?              ?        
1 1 1 3   28 6  o 10.65892 5.021195  ?              ?        
1 1 1 3   28 7  o 35.83776 5.554509  ?              ?        
1 1 1 3   28 8  o 15.62727 6.279243  ?              ?        
1 1 1 3   28 9  o 11.53724 5.356905  ?              ?        
1 1 1 3   28 10 x ?        ?         ?              ?        
1 1 1 3   28 11 x ?        ?         ?              ?        
1 1 1 3   28 12 x ?        ?         ?              ?        
1 1 1 3   29 0  x ?        ?         ?              ?        
1 1 1 3   29 1  x ?        ?         ?              ?        
1 1 1 3   29 2  x ?        ?         ?              ?        
1 1 1 3   29 3  x ?        ?         ?              ?        
1 1 1 3   29 4  x ?        ?         ?              ?        
1 1 1 3   29 5  x ?        ?         ?              ?        
1 1 1 3   29 6  x ?        ?         ?              ?        
1 1 1 3   29 7  x ?        ?         ?              ?        
1 1 1 3   29 8  x ?        ?         ?              ?        
1 1 1 3   30 0  x ?        ?         ?              ?        
1 1 1 3   30 1  x ?        ?         ?              ?        
1 1 1 4   0  0  o 187.8840 2.538709  -0.000000      0.000000 
1 1 1 4   0  1  x ?        ?         ?              ?        
1 1 1 4   0  2  x ?        ?         ?              ?        
1 1 1 4   0  3  x ?        ?         ?              ?        
1 1 1 4   0  4  x ?        ?         ?              ?        
1 1 1 4   0  5  x ?        ?         ?              ?        
1 1 1 4   0  6  x ?        ?         ?              ?        
1 1 1 4   0  7  o 121.6801 1.744588  -0.000000      0.000000 
1 1 1 4   0  8  x ?        ?         ?              ?        
1 1 1 4   0  9  o 314.9976 4.227158  -0.000000      0.000000 
1 1 1 4   0  10 o 497.7771 6.623109  -0.000000      0.000000 
1 1 1 4   0  11 o 274.5931 3.724843  -0.000000      0.000000 
1 1 1 4   0  12 o 114.5793 1.835366  -0.000000      0.000000 
1 1 1 4   0  13 o 219.4304 4.463016  -0.000000      0.000000 
1 1 1 4   0  14 o 41.33096 1.826708  -0.000000      0.000000 
1 1 1 4   0  15 o 103.8439 2.438313  -0.000000      0.000000 
1 1 1 4   0  16 o 88.53677 1.837158  -0.000000      0.000000 
1 1 1 4   0  17 o 214.6874 3.109948  -0.000000      0.000000 
1 1 1 4   0  18 o 304.3113 4.247317  -0.000000      0.000000 
1 1 1 4   0  19 o 113.4143 2.155597  -0.000000      0.000000 
1 1 1 4   0  20 o 106.4422 2.151853  -0.000000      0.000000 
1 1 1 4   0  21 o 48.41311 2.266809  -0.000000      0.000000 
1 1 1 4   0  22 o 9.582367 5.520647  -0.000000      0.000000 
1 1 1 4   0  23 o 94.42979 2.296499  -0.000000      0.000000 
1 1 1 4   0  24 o 171.1859 2.935347  -0.000000      0.000000 
1 1 1 4   0  25 o 53.80968 3.429319  -0.000000      0.000000 
1 1 1 4   0  26 o 20.52679 7.008625  -0.000000      0.000000 
1 1 1 4   0  27 o 42.88049 3.681096  -0.000000      0.000000 
1 1 1 4   0  28 o 45.26082 3.382437  -0.000000      0.000000 
1 1 1 4   0  29 o 36.61934 3.888271  -0.000000      0.000000 
1 1 1 4   0  30 o 12.51141 6.790653  -0.000000      0.000000 
1 1 1 4   0  31 o 29.58191 5.102084  -0.000000      0.000000 
1 1 1 4   0  32 o 81.84505 4.372146  -0.000000      0.000000 
1 1 1 4   0  33 f 61.35945 2.996618  -0.000000      0.000000 
1 1 1 4   0  34 o 27.94144 7.273348  -0.000000      0.000000 
1 1 1 4   1  0  o 156.6705 1.583405  -1.902740      3.166809 
1 1 1 4   1  1  o 313.6457 4.206055  ?              ?        
1 1 1 4   1  2  o 181.3733 2.183726  2.931091       4.367452 
1 1 1 4   1  3  o 187.6741 3.606749  ?              ?        
1 1 1 4   1  4  o 407.9555 5.438568  ?              ?        
1 1 1 4   1  5  x ?        ?         ?              ?        
1 1 1 4   1  6  o 117.5681 2.519679  ?              ?        
1 1 1 4   1  7  o 171.2910 1.702455  -10.20752      3.404910 
1 1 1 4   1  8  o 253.0517 2.438570  -11.64311      4.877139 
1 1 1 4   1  9  o 186.4482 1.857227  -9.377029      3.714455 
1 1 1 4   1  10 o 225.4266 2.204637  -4.594574      4.409274 
1 1 1 4   1  11 o 392.6324 3.726721  3.587830       7.453442 
1 1 1 4   1  12 o 336.0766 4.017744  -11.94064      8.035488 
1 1 1 4   1  13 o 55.47047 1.638869  -2.770676      3.277738 
1 1 1 4   1  14 o 227.8187 2.268993  3.256714       4.537985 
1 1 1 4   1  15 o 240.1446 3.316612  -3.013138      6.633225 
1 1 1 4   1  16 o 285.0125 2.804473  -8.844971      5.608946 
1 1 1 4   1  17 o 284.6199 2.809962  -0.1007385     5.619923 
1 1 1 4   1  18 o 92.92195 1.398881  0.3853836      2.797762 
1 1 1 4   1  19 o 120.0406 1.555906  -3.600227      3.111812 
1 1 1 4   1  20 o 156.8997 1.822219  3.375259       3.644439 
1 1 1 4   1  21 o 103.3306 1.535904  4.036514       3.071809 
1 1 1 4   1  22 o 44.56524 2.466733  -6.242844      4.933465 
1 1 1 4   1  23 o 18.11056 7.147938  ?              ?        
1 1 1 4   1  24 o 104.7161 1.738943  2.223663       3.477885 
1 1 1 4   1  25 o 37.65805 2.687045  8.178581       5.374090 
1 1 1 4   1  26 o 65.18054 2.066525  -3.981022      4.133050 
1 1 1 4   1  27 o 38.09738 2.824193  -4.019547      5.648386 
1 1 1 4   1  28 o 55.56308 2.238242  1.291481       4.476485 
1 1 1 4   1  29 o 45.26772 2.535574  -10.79913      5.071149 
1 1 1 4   1  30 o 27.95206 3.415836  11.38552       6.831672 
1 1 1 4   1  31 o 43.43205 2.513402  -1.511070      5.026803 
1 1 1 4   1  32 o 21.02907 4.518474  -0.2996063     9.036948 
1 1 1 4   1  33 o 17.25816 3.774732  -8.412195      7.549464 
1 1 1 4   1  34 o 14.29758 4.393862  0.4239779      8.787724 
1 1 1 4   2  0  o 109.4370 1.295304  -0.3266144     2.590608 
1 1 1 4   2  1  o 160.3062 2.312996  -5.198303      4.625992 
1 1 1 4   2  2  f 228.8708 3.137950  -12.68808      6.275901 
1 1 1 4   2  3  o 161.9497 2.269704  -5.907547      4.539409 
1 1 1 4   2  4  f 106.9258 1.626545  ?              ?        
1 1 1 4   2  5  o 93.70335 2.203889  ?              ?        
1 1 1 4   2  6  o 126.8011 2.768774  ?              ?        
1 1 1 4   2  7  o 188.8470 3.827804  ?              ?        
1 1 1 4   2  8  o 97.73280 1.469551  -3.288208      2.939102 
1 1 1 4   2  9  o 181.1480 1.859200  -12.35300      3.718400 
1 1 1 4   2  10 o 130.0088 1.452427  3.630371       2.904854 
1 1 1 4   2  11 o 400.5934 4.692937  -7.582550      9.385875 
1 1 1 4   2  12 o 542.2097 6.360032  7.154907       12.72006 
1 1 1 4   2  13 o 310.1790 3.012112  -6.955048      6.024223 
1 1 1 4   2  14 f 237.8546 2.954638  5.205017       5.909276 
1 1 1 4   2  15 o 296.3737 3.539555  1.478668       7.079111 
1 1 1 4   2  16 o 400.2080 3.853078  10.48898       7.706156 
1 1 1 4   2  17 o 266.0344 2.668219  0.9577942      5.336438 
1 1 1 4   2  18 o 128.3090 1.628196  0.8217621      3.256392 
1 1 1 4   2  19 o 185.3598 2.037935  9.186554       4.075870 
1 1 1 4   2  20 o 65.78748 1.510734  -0.9180603     3.021468 
1 1 1 4   2  21 o 134.0827 1.726625  0.7244415      3.453250 
1 1 1 4   2  22 o 68.73382 2.098622  -2.476746      4.197244 
1 1 1 4   2  23 o 133.0646 2.311936  1.287308       4.623871 
1 1 1 4   2  24 o 144.8985 2.365463  -1.504578      4.730926 
1 1 1 4   2  25 o 83.08438 1.994864  3.062798       3.989728 
1 1 1 4   2  26 o 81.46327 1.948256  0.6816254      3.896511 
1 1 1 4   2  27 o 54.32533 2.374923  -0.9144249     4.749846 
1 1 1 4   2  28 o 50.24548 2.391514  -2.270367      4.783028 
1 1 1 4   2  29 o 21.05473 4.185048  6.127289       8.370095 
1 1 1 4   2  30 o 33.96792 2.999829  -8.238508      5.999658 
1 1 1 4   2  31 o 17.46295 4.677997  -8.940970      9.355994 
1 1 1 4   2  32 o 66.30016 2.637779  -16.62300      5.275559 
1 1 1 4   2  33 o 36.40604 3.513205  -0.7049484     7.026409 
1 1 1 4   2  34 o 27.51018 4.096851  -6.374886      8.193703 
1 1 1 4   3  0  o 114.7188 1.889014  -0.4306259     3.778029 
1 1 1 4   3  1  o 292.2312 3.994407  -13.73483      7.988815 
1 1 1 4   3  2  f 485.5563 6.484847  2.643372       12.96969 
1 1 1 4   3  3  o 246.7264 3.381144  0.2485657E-01  6.762288 
1 1 1 4   3  4  o 156.1566 2.274902  ?              ?        
1 1 1 4   3  5  o 137.6375 3.003048  ?              ?        
1 1 1 4   3  6  o 83.57098 1.657520  8.744370       3.315039 
1 1 1 4   3  7  o 111.8567 1.664055  -2.004623      3.328110 
1 1 1 4   3  8  f 89.90262 1.528148  -6.468292      3.056297 
1 1 1 4   3  9  o 159.0200 2.090417  -10.71155      4.180834 
1 1 1 4   3  10 o 134.0889 2.175442  0.2191315      4.350884 
1 1 1 4   3  11 o 356.3815 3.452450  -13.04633      6.904901 
1 1 1 4   3  12 o 249.0627 3.094297  -0.2680969     6.188595 
1 1 1 4   3  13 o 274.8662 3.347403  -4.719635      6.694806 
1 1 1 4   3  14 o 99.31352 1.892363  -8.106789      3.784725 
1 1 1 4   3  15 o 69.24008 1.535932  6.727470       3.071865 
1 1 1 4   3  16 o 165.4686 1.878549  -5.662003      3.757098 
1 1 1 4   3  17 o 81.65108 1.532323  3.010048       3.064646 
1 1 1 4   3  18 o 17.66631 3.492294  7.881481       6.984587 
1 1 1 4   3  19 o 84.72607 1.577852  -1.340912      3.155703 
1 1 1 4   3  20 o 70.31363 1.634930  -4.408127      3.269861 
1 1 1 4   3  21 o 51.15815 2.143191  -6.486362      4.286382 
1 1 1 4   3  22 o 118.0547 2.285546  4.599586       4.571093 
1 1 1 4   3  23 o 84.71448 2.569069  7.763519       5.138139 
1 1 1 4   3  24 o 47.52892 2.245304  -6.060955      4.490607 
1 1 1 4   3  25 o 149.7831 2.262212  11.25946       4.524425 
1 1 1 4   3  26 o 86.04756 1.978624  4.783150       3.957248 
1 1 1 4   3  27 o 58.57496 2.288062  3.234684       4.576125 
1 1 1 4   3  28 o 110.5713 2.052078  -8.400017      4.104156 
1 1 1 4   3  29 o 40.84363 4.457036  ?              ?        
1 1 1 4   3  30 o 22.37637 3.714638  -9.920210      7.429275 
1 1 1 4   3  31 o 41.81214 2.585421  -5.030609      5.170842 
1 1 1 4   3  32 o 23.82964 4.078065  -9.926497      8.156131 
1 1 1 4   3  33 o 28.13075 4.065969  -10.76457      8.131937 
1 1 1 4   3  34 o 56.46320 2.833732  -29.54525      5.667464 
1 1 1 4   4  0  o 78.86931 1.643257  -0.2368927E-01 3.286513 
1 1 1 4   4  1  o 27.30983 1.697059  0.7354813      3.394118 
1 1 1 4   4  2  o 176.0856 2.573664  3.608643       5.147329 
1 1 1 4   4  3  f 199.2370 4.023764  ?              ?        
1 1 1 4   4  4  o 124.8455 2.012836  ?              ?        
1 1 1 4   4  5  o 139.4353 3.159168  ?              ?        
1 1 1 4   4  6  o 90.11165 2.553431  ?              ?        
1 1 1 4   4  7  o 52.31762 2.467785  ?              ?        
1 1 1 4   4  8  o 168.7294 2.223140  -16.25896      4.446280 
1 1 1 4   4  9  o 140.3901 2.073374  1.594223       4.146747 
1 1 1 4   4  10 o 170.1006 2.316368  -4.823990      4.632737 
1 1 1 4   4  11 o 187.1152 2.815503  ?              ?        
1 1 1 4   4  12 o 147.5810 2.188894  -2.250702      4.377788 
1 1 1 4   4  13 o 293.9546 4.191207  -2.919891      8.382414 
1 1 1 4   4  14 o 250.0698 2.580024  2.449341       5.160048 
1 1 1 4   4  15 o 171.1349 1.997217  0.8565674      3.994435 
1 1 1 4   4  16 o 116.0886 1.689043  10.93563       3.378087 
1 1 1 4   4  17 o 204.8247 2.235193  3.334381       4.470386 
1 1 1 4   4  18 o 122.4986 1.717692  2.828438       3.435384 
1 1 1 4   4  19 o 33.89894 2.458174  -4.723825      4.916348 
1 1 1 4   4  20 o 129.9471 2.056560  -3.500809      4.113120 
1 1 1 4   4  21 o 155.0491 1.971766  4.418152       3.943531 
1 1 1 4   4  22 o 45.57598 3.119663  -9.082684      6.239326 
1 1 1 4   4  23 o 21.95721 4.929105  4.770109       9.858211 
1 1 1 4   4  24 o 40.42534 2.898860  0.6812668E-01  5.797719 
1 1 1 4   4  25 o 101.8747 1.995047  4.492233       3.990094 
1 1 1 4   4  26 o 108.0584 2.023680  -0.7706223     4.047361 
1 1 1 4   4  27 o 104.0365 2.057509  -1.163673      4.115019 
1 1 1 4   4  28 o 120.5377 2.076350  -4.936859      4.152699 
1 1 1 4   4  29 o 56.16669 2.376107  -5.276489      4.752213 
1 1 1 4   4  30 o 24.52235 4.742352  3.379030       9.484704 
1 1 1 4   4  31 o 16.80034 4.149295  -5.904652      8.298590 
1 1 1 4   4  32 o 35.71535 6.571789  ?              ?        
1 1 1 4   4  33 o 28.88451 3.375834  -3.260096      6.751667 
1 1 1 4   4  34 o 27.65187 4.382897  -15.59470      8.765795 
1 1 1 4   5  0  o 145.8377 2.332572  -3.046173      4.665143 
1 1 1 4   5  1  o 92.55272 1.823436  -3.028984      3.646873 
1 1 1 4   5  2  o 192.1491 3.989812  ?              ?        
1 1 1 4   5  3  x ?        ?         ?              ?        
1 1 1 4   5  4  o 140.1351 3.236826  ?              ?        
1 1 1 4   5  5  o 52.43242 2.520284  ?              ?        
1 1 1 4   5  6  o 64.29876 1.839638  0.4989624E-01  3.679275 
1 1 1 4   5  7  o 199.7248 3.011012  -5.665115      6.022023 
1 1 1 4   5  8  o 106.3294 3.044665  ?              ?        
1 1 1 4   5  9  o 207.8966 3.169351  ?              ?        
1 1 1 4   5  10 o 284.5345 3.465527  -12.86392      6.931053 
1 1 1 4   5  11 o 141.6760 2.249222  7.945038       4.498443 
1 1 1 4   5  12 o 74.42722 2.354486  2.235092       4.708972 
1 1 1 4   5  13 f 157.0107 2.398882  2.944794       4.797764 
1 1 1 4   5  14 o 129.2929 2.259961  -4.774635      4.519922 
1 1 1 4   5  15 o 218.2076 2.957742  0.1605988      5.915484 
1 1 1 4   5  16 o 289.2464 3.653688  -3.699280      7.307375 
1 1 1 4   5  17 o 90.54809 2.179177  1.210587       4.358354 
1 1 1 4   5  18 o 173.3114 2.091357  0.3397369      4.182715 
1 1 1 4   5  19 o 164.9245 2.324574  -0.5223846     4.649148 
1 1 1 4   5  20 o 35.96648 2.417190  3.735004       4.834380 
1 1 1 4   5  21 o 56.16073 2.650882  6.988434       5.301764 
1 1 1 4   5  22 o 92.48195 1.909081  5.486389       3.818162 
1 1 1 4   5  23 o 83.14487 2.828298  -2.708015      5.656597 
1 1 1 4   5  24 o 156.3963 2.481199  12.47430       4.962398 
1 1 1 4   5  25 o 48.70726 2.833321  -4.995190      5.666642 
1 1 1 4   5  26 o 72.79227 2.304251  3.705093       4.608503 
1 1 1 4   5  27 o 96.91218 2.163103  -6.551834      4.326205 
1 1 1 4   5  28 o 17.44085 4.544791  1.693329       9.089582 
1 1 1 4   5  29 o 43.25464 3.366639  2.416553       6.733278 
1 1 1 4   5  30 o 21.50043 3.974518  -10.18538      7.949037 
1 1 1 4   5  31 x ?        ?         ?              ?        
1 1 1 4   5  32 o 31.78226 3.443223  -9.922327      6.886446 
1 1 1 4   5  33 o 24.15861 4.879554  -3.085255      9.759108 
1 1 1 4   5  34 o 11.33071 3.523551  1.805107       7.047101 
1 1 1 4   6  0  o 26.04024 3.203974  ?              ?        
1 1 1 4   6  1  o 184.9909 4.016213  ?              ?        
1 1 1 4   6  2  o 22.34929 2.683228  2.916470       5.366456 
1 1 1 4   6  3  o 157.9122 3.585529  ?              ?        
1 1 1 4   6  4  o 100.4387 1.987444  ?              ?        
1 1 1 4   6  5  f 214.0491 4.533867  ?              ?        
1 1 1 4   6  6  f 311.9525 6.217877  ?              ?        
1 1 1 4   6  7  o 289.2330 4.130706  -5.196564      8.261413 
1 1 1 4   6  8  o 289.0381 4.139973  -1.721008      8.279945 
1 1 1 4   6  9  o 420.2400 5.793800  -7.843628      11.58760 
1 1 1 4   6  10 f 180.1432 2.576975  1.670059       5.153950 
1 1 1 4   6  11 o 307.3207 3.795298  -5.972626      7.590595 
1 1 1 4   6  12 o 444.6396 5.266963  -8.595459      10.53393 
1 1 1 4   6  13 o 296.1125 3.777112  7.810425       7.554224 
1 1 1 4   6  14 o 150.4249 2.434829  -4.911133      4.869658 
1 1 1 4   6  15 o 118.1712 2.337725  1.822701       4.675451 
1 1 1 4   6  16 o 174.4736 2.684034  5.149902       5.368069 
1 1 1 4   6  17 o 218.5217 3.392916  6.376053       6.785832 
1 1 1 4   6  18 o 144.3654 2.488990  1.375778       4.977980 
1 1 1 4   6  19 o 130.0820 2.407519  -2.662537      4.815038 
1 1 1 4   6  20 o 68.46714 1.891732  ?              ?        
1 1 1 4   6  21 o 23.87964 4.238750  1.298470       8.477499 
1 1 1 4   6  22 o 58.42213 3.176060  1.023563       6.352119 
1 1 1 4   6  23 f 44.05568 7.171919  ?              ?        
1 1 1 4   6  24 o 69.71025 2.271783  0.6323395      4.543566 
1 1 1 4   6  25 o 86.99371 2.247588  -1.368927      4.495175 
1 1 1 4   6  26 o 73.49297 2.320362  2.196304       4.640724 
1 1 1 4   6  27 o 65.90450 2.459553  -2.089844      4.919106 
1 1 1 4   6  28 o 70.45528 2.598345  -10.16383      5.196690 
1 1 1 4   6  29 o 21.61090 4.221725  -5.264860      8.443449 
1 1 1 4   6  30 o 15.99403 4.343038  4.678772       8.686076 
1 1 1 4   6  31 o 42.58910 3.836714  ?              ?        
1 1 1 4   6  32 o 23.94357 4.077546  -9.565979      8.155092 
1 1 1 4   6  33 o 45.45797 3.533978  -39.50671      7.067957 
1 1 1 4   7  0  o 51.73809 2.019217  -4.438732      4.038435 
1 1 1 4   7  1  o 291.0239 4.144432  -2.975525      8.288863 
1 1 1 4   7  2  o 69.81340 2.795555  ?              ?        
1 1 1 4   7  3  o 192.3571 4.201156  ?              ?        
1 1 1 4   7  4  o 298.7399 4.219866  ?              ?        
1 1 1 4   7  5  o 156.4972 3.742503  ?              ?        
1 1 1 4   7  6  o 161.0633 3.857258  ?              ?        
1 1 1 4   7  7  o 326.8573 4.647016  13.20407       9.294031 
1 1 1 4   7  8  o 367.2772 5.138709  1.999329       10.27742 
1 1 1 4   7  9  o 203.7719 3.247204  0.6047058      6.494409 
1 1 1 4   7  10 o 213.2959 3.363436  -2.539169      6.726873 
1 1 1 4   7  11 o 214.6663 2.964074  2.193863       5.928148 
1 1 1 4   7  12 f 89.43463 2.309420  1.750664       4.618840 
1 1 1 4   7  13 o 212.4573 2.990411  0.4676666      5.980823 
1 1 1 4   7  14 o 209.2079 2.977985  -2.826385      5.955970 
1 1 1 4   7  15 o 193.5958 3.235149  5.857773       6.470298 
1 1 1 4   7  16 o 49.21229 3.302270  -13.76393      6.604539 
1 1 1 4   7  17 o 84.69527 2.398447  0.7412567      4.796894 
1 1 1 4   7  18 o 92.48172 2.373589  2.568672       4.747178 
1 1 1 4   7  19 o 161.3397 2.701751  ?              ?        
1 1 1 4   7  20 o 65.68153 2.650195  -1.190567      5.300390 
1 1 1 4   7  21 o 112.3527 2.522932  4.478729       5.045864 
1 1 1 4   7  22 o 124.3339 3.001720  0.7098465      6.003439 
1 1 1 4   7  23 o 118.0724 2.797569  ?              ?        
1 1 1 4   7  24 o 61.56787 3.504856  -13.76255      7.009713 
1 1 1 4   7  25 o 88.91739 2.939051  -14.64586      5.878103 
1 1 1 4   7  26 o 77.10277 3.232534  -0.7361069     6.465068 
1 1 1 4   7  27 o 81.35123 3.382000  -15.67289      6.764001 
1 1 1 4   7  28 o 96.51373 2.922412  -7.126007      5.844823 
1 1 1 4   7  29 o 57.90201 2.751463  ?              ?        
1 1 1 4   7  30 o 20.56720 3.735837  -12.91867      7.471673 
1 1 1 4   7  31 o 22.08564 3.639499  -16.97409      7.278999 
1 1 1 4   7  32 o 51.81583 3.883910  -43.40648      7.767821 
1 1 1 4   7  33 o 36.54017 5.022689  ?              ?        
1 1 1 4   8  0  o 86.74380 2.160972  -1.314163      4.321944 
1 1 1 4   8  1  o 150.2252 2.596125  -6.681625      5.192250 
1 1 1 4   8  2  o 67.45858 2.971343  ?              ?        
1 1 1 4   8  3  o 327.9138 6.545566  ?              ?        
1 1 1 4   8  4  o 139.5915 3.593784  ?              ?        
1 1 1 4   8  5  o 149.3372 3.781700  ?              ?        
1 1 1 4   8  6  o 177.4337 4.233118  ?              ?        
1 1 1 4   8  7  o 266.2634 5.608630  ?              ?        
1 1 1 4   8  8  o 81.30519 2.393158  -13.02267      4.786316 
1 1 1 4   8  9  o 157.2237 2.863584  -3.331421      5.727169 
1 1 1 4   8  10 o 214.0443 3.433522  -0.9187164     6.867043 
1 1 1 4   8  11 o 189.1968 3.236619  -1.597519      6.473237 
1 1 1 4   8  12 o 315.8349 3.974041  -9.172424      7.948082 
1 1 1 4   8  13 o 291.6369 4.364436  9.632202       8.728872 
1 1 1 4   8  14 o 306.9838 3.986340  3.324432       7.972680 
1 1 1 4   8  15 o 200.7592 2.970990  -4.948944      5.941980 
1 1 1 4   8  16 f 140.4120 2.602330  5.198517       5.204659 
1 1 1 4   8  17 o 14.50746 5.453920  ?              ?        
1 1 1 4   8  18 o 25.31451 4.418446  -6.119576      8.836892 
1 1 1 4   8  19 o 39.73455 3.572304  3.356937       7.144608 
1 1 1 4   8  20 o 72.37673 3.184151  -5.120682      6.368301 
1 1 1 4   8  21 o 27.60896 4.597733  2.327501       9.195465 
1 1 1 4   8  22 o 115.2925 2.702799  4.947159       5.405597 
1 1 1 4   8  23 o 88.66871 2.735244  ?              ?        
1 1 1 4   8  24 o 92.73111 2.926910  0.8586044      5.853821 
1 1 1 4   8  25 o 115.8899 2.841027  3.003319       5.682054 
1 1 1 4   8  26 o 81.02554 3.199558  3.420258       6.399116 
1 1 1 4   8  27 o 95.08651 3.098445  -7.626038      6.196889 
1 1 1 4   8  28 o 25.27333 4.902956  ?              ?        
1 1 1 4   8  29 o 32.14144 7.731323  ?              ?        
1 1 1 4   8  30 o 17.88218 3.995346  -8.208237      7.990692 
1 1 1 4   8  31 o 47.98876 3.351729  -30.27146      6.703458 
1 1 1 4   8  32 o 49.43881 3.084521  -32.23443      6.169043 
1 1 1 4   8  33 o 22.58549 4.490690  -2.330631      8.981380 
1 1 1 4   9  0  o 283.4532 4.148080  2.559692       8.296160 
1 1 1 4   9  1  o 210.6241 3.313264  -5.346512      6.626528 
1 1 1 4   9  2  o 228.0580 4.937457  ?              ?        
1 1 1 4   9  3  o 208.0532 4.627175  ?              ?        
1 1 1 4   9  4  o 294.0661 6.055843  ?              ?        
1 1 1 4   9  5  o 231.1134 3.557157  ?              ?        
1 1 1 4   9  6  o 174.2042 4.295452  ?              ?        
1 1 1 4   9  7  o 122.7374 3.785600  ?              ?        
1 1 1 4   9  8  o 159.6824 2.946747  -0.8854370     5.893494 
1 1 1 4   9  9  o 226.5653 5.081897  ?              ?        
1 1 1 4   9  10 o 97.56625 3.925999  ?              ?        
1 1 1 4   9  11 o 234.7961 3.774424  12.96724       7.548848 
1 1 1 4   9  12 o 224.0961 3.693836  -15.67145      7.387672 
1 1 1 4   9  13 o 43.92197 3.644024  6.936047       7.288049 
1 1 1 4   9  14 o 228.9983 3.709542  ?              ?        
1 1 1 4   9  15 o 71.76143 2.752340  5.559349       5.504680 
1 1 1 4   9  16 o 122.7565 2.607834  2.685471       5.215668 
1 1 1 4   9  17 o 57.29160 2.775468  -5.037167      5.550937 
1 1 1 4   9  18 o 51.03286 3.460759  -0.6843567     6.921518 
1 1 1 4   9  19 o 154.6210 2.775488  -4.240036      5.550976 
1 1 1 4   9  20 o 35.37613 3.874142  15.03400       7.748284 
1 1 1 4   9  21 o 80.70050 2.864075  -3.507729      5.728149 
1 1 1 4   9  22 o 92.70845 2.915592  4.246605       5.831184 
1 1 1 4   9  23 o 164.7985 3.808577  ?              ?        
1 1 1 4   9  24 o 24.23019 5.400494  -1.058037      10.80099 
1 1 1 4   9  25 o 140.8162 3.027831  -1.136597      6.055662 
1 1 1 4   9  26 o 151.2560 3.044869  -8.160110      6.089737 
1 1 1 4   9  27 x ?        ?         ?              ?        
1 1 1 4   9  28 f 102.5409 5.203112  ?              ?        
1 1 1 4   9  29 o 32.19346 4.316810  -6.217741      8.633620 
1 1 1 4   9  30 o 28.24092 4.200416  -24.47333      8.400832 
1 1 1 4   9  31 o 19.51130 4.364970  -8.280604      8.729939 
1 1 1 4   9  32 o 16.88115 4.504304  1.857533       9.008609 
1 1 1 4   9  33 o 29.39684 6.147885  ?              ?        
1 1 1 4   10 0  o 360.6603 7.250777  ?              ?        
1 1 1 4   10 1  x ?        ?         ?              ?        
1 1 1 4   10 2  o 53.08807 3.652474  ?              ?        
1 1 1 4   10 3  o 118.4091 2.604297  ?              ?        
1 1 1 4   10 4  o 26.04524 3.848125  ?              ?        
1 1 1 4   10 5  o 192.6200 3.231786  ?              ?        
1 1 1 4   10 6  o 104.0949 3.854119  ?              ?        
1 1 1 4   10 7  o 315.1476 6.568507  ?              ?        
1 1 1 4   10 8  o 36.56964 6.790302  ?              ?        
1 1 1 4   10 9  f 74.95240 2.957296  -0.7760925     5.914593 
1 1 1 4   10 10 o 172.3618 4.566831  ?              ?        
1 1 1 4   10 11 o 216.2543 5.189087  ?              ?        
1 1 1 4   10 12 o 228.6618 3.802811  6.130554       7.605622 
1 1 1 4   10 13 o 225.5656 3.306809  4.623215       6.613617 
1 1 1 4   10 14 o 55.53538 3.044801  6.298927       6.089602 
1 1 1 4   10 15 o 96.76511 2.954279  3.006516       5.908558 
1 1 1 4   10 16 o 15.43248 4.646237  -4.783278      9.292475 
1 1 1 4   10 17 o 134.3182 2.684438  3.235626       5.368875 
1 1 1 4   10 18 o 114.7921 2.685668  2.899895       5.371336 
1 1 1 4   10 19 o 90.92413 2.722517  5.611107       5.445034 
1 1 1 4   10 20 o 95.15434 2.815167  2.431534       5.630335 
1 1 1 4   10 21 o 94.03151 2.881773  0.6886902      5.763547 
1 1 1 4   10 22 o 47.20882 4.069850  -4.354485      8.139701 
1 1 1 4   10 23 o 90.00018 3.391794  ?              ?        
1 1 1 4   10 24 o 82.95555 3.195849  6.359550       6.391697 
1 1 1 4   10 25 o 31.50903 4.172101  ?              ?        
1 1 1 4   10 26 o 35.97064 4.985622  -2.010811      9.971244 
1 1 1 4   10 27 o 52.63370 3.682532  -2.642303      7.365064 
1 1 1 4   10 28 o 41.98329 7.527763  ?              ?        
1 1 1 4   10 29 o 29.73166 4.710754  -14.20909      9.421508 
1 1 1 4   10 30 o 39.93340 5.373242  ?              ?        
1 1 1 4   10 31 o 46.33281 3.631094  -41.62415      7.262188 
1 1 1 4   10 32 o 38.35689 5.217493  ?              ?        
1 1 1 4   11 0  o 317.2761 4.655816  5.780273       9.311631 
1 1 1 4   11 1  o 344.9305 7.055460  ?              ?        
1 1 1 4   11 2  f 315.1629 6.535689  ?              ?        
1 1 1 4   11 3  x ?        ?         ?              ?        
1 1 1 4   11 4  o 315.6794 4.624281  ?              ?        
1 1 1 4   11 5  o 462.0053 6.426639  ?              ?        
1 1 1 4   11 6  o 302.0144 6.440152  ?              ?        
1 1 1 4   11 7  o 76.00664 4.413066  ?              ?        
1 1 1 4   11 8  o 101.4403 4.278730  ?              ?        
1 1 1 4   11 9  o 323.6223 6.844723  ?              ?        
1 1 1 4   11 10 o 228.2765 3.792561  -0.3368683     7.585122 
1 1 1 4   11 11 o 74.71007 3.250000  -2.138222      6.500000 
1 1 1 4   11 12 o 46.54382 4.320639  0.7792320      8.641278 
1 1 1 4   11 13 o 133.3135 3.132793  4.791153       6.265585 
1 1 1 4   11 14 o 54.20704 3.208781  1.613743       6.417561 
1 1 1 4   11 15 o 111.5461 2.683177  3.490318       5.366355 
1 1 1 4   11 16 o 36.81211 4.073232  -3.842720      8.146464 
1 1 1 4   11 17 o 113.4747 2.725166  0.4085541      5.450333 
1 1 1 4   11 18 o 121.6240 2.774952  0.7987900      5.549904 
1 1 1 4   11 19 o 116.4157 2.796240  -5.164032      5.592481 
1 1 1 4   11 20 o 167.8705 3.426074  2.208496       6.852147 
1 1 1 4   11 21 o 60.12218 3.443056  10.42209       6.886111 
1 1 1 4   11 22 o 132.0603 3.061542  1.092560       6.123085 
1 1 1 4   11 23 o 43.35254 4.846318  ?              ?        
1 1 1 4   11 24 o 95.99298 3.221714  1.996452       6.443429 
1 1 1 4   11 25 o 32.26202 5.204208  0.1562843      10.40842 
1 1 1 4   11 26 o 72.28008 3.250809  0.7611771      6.501618 
1 1 1 4   11 27 o 68.90988 3.117079  4.688927       6.234159 
1 1 1 4   11 28 o 37.88607 5.019096  -6.588760      10.03819 
1 1 1 4   11 29 o 59.20391 5.247344  ?              ?        
1 1 1 4   11 30 o 59.52624 2.809836  -26.48075      5.619672 
1 1 1 4   11 31 o 46.32040 3.427950  -32.40914      6.855899 
1 1 1 4   11 32 o 17.07214 6.600108  ?              ?        
1 1 1 4   12 0  o 153.8712 4.314880  ?              ?        
1 1 1 4   12 1  o 141.5503 4.171167  ?              ?        
1 1 1 4   12 2  o 338.8347 6.988622  ?              ?        
1 1 1 4   12 3  f 265.4420 4.106323  ?              ?        
1 1 1 4   12 4  o 461.8915 6.448362  ?              ?        
1 1 1 4   12 5  o 206.3535 3.527030  ?              ?        
1 1 1 4   12 6  o 425.8772 8.517705  ?              ?        
1 1 1 4   12 7  o 57.84635 5.594300  ?              ?        
1 1 1 4   12 8  o 186.9330 4.900943  ?              ?        
1 1 1 4   12 9  o 36.18220 7.375676  ?              ?        
1 1 1 4   12 10 o 92.57556 3.228862  0.1146851      6.457724 
1 1 1 4   12 11 o 43.70584 4.250033  -5.680931      8.500066 
1 1 1 4   12 12 o 109.0168 3.125256  7.420631       6.250512 
1 1 1 4   12 13 o 55.52659 3.754715  13.36890       7.509430 
1 1 1 4   12 14 o 48.23649 3.899106  9.889042       7.798213 
1 1 1 4   12 15 o 91.55862 2.758284  -1.795502      5.516567 
1 1 1 4   12 16 o 56.23344 3.181403  7.160168       6.362805 
1 1 1 4   12 17 o 111.7999 2.827218  4.259605       5.654436 
1 1 1 4   12 18 o 63.81811 3.604033  11.98608       7.208066 
1 1 1 4   12 19 o 80.82227 3.069224  1.120827       6.138448 
1 1 1 4   12 20 o 130.4396 2.998724  -4.549805      5.997447 
1 1 1 4   12 21 f 102.0085 4.760911  ?              ?        
1 1 1 4   12 22 o 87.43903 3.271239  -8.341850      6.542477 
1 1 1 4   12 23 o 39.49147 5.957708  ?              ?        
1 1 1 4   12 24 o 139.5230 3.203268  -5.940720      6.406537 
1 1 1 4   12 25 o 45.92789 4.692703  -8.203392      9.385406 
1 1 1 4   12 26 o 36.03500 5.787379  -2.336517      11.57476 
1 1 1 4   12 27 o 15.00263 4.295794  -1.812270      8.591587 
1 1 1 4   12 28 x ?        ?         ?              ?        
1 1 1 4   12 29 o 43.07566 4.818053  ?              ?        
1 1 1 4   12 30 o 34.56736 4.072917  -30.04757      8.145835 
1 1 1 4   12 31 o 22.88246 6.452798  ?              ?        
1 1 1 4   13 0  f 126.2624 4.344168  ?              ?        
1 1 1 4   13 1  o 166.5637 4.629049  ?              ?        
1 1 1 4   13 2  o 214.6756 5.175988  ?              ?        
1 1 1 4   13 3  o 286.2849 4.404509  ?              ?        
1 1 1 4   13 4  f 197.6190 3.501015  ?              ?        
1 1 1 4   13 5  o 191.4331 3.447402  ?              ?        
1 1 1 4   13 6  o 94.76548 4.255836  ?              ?        
1 1 1 4   13 7  o 190.7866 5.113898  ?              ?        
1 1 1 4   13 8  o 124.8754 4.667993  ?              ?        
1 1 1 4   13 9  o 88.48309 4.708578  ?              ?        
1 1 1 4   13 10 o 120.6044 4.465236  ?              ?        
1 1 1 4   13 11 o 126.6844 3.209212  11.25270       6.418425 
1 1 1 4   13 12 o 163.5901 3.376202  2.318619       6.752403 
1 1 1 4   13 13 o 89.44124 3.235919  -0.6144638     6.471838 
1 1 1 4   13 14 o 47.63400 4.040226  -4.801022      8.080451 
1 1 1 4   13 15 o 55.12052 3.906838  -7.887634      7.813676 
1 1 1 4   13 16 o 72.74931 3.038517  0.7661285      6.077034 
1 1 1 4   13 17 o 81.41512 3.068830  -4.430214      6.137659 
1 1 1 4   13 18 o 176.4131 3.188664  -3.292938      6.377329 
1 1 1 4   13 19 o 84.45579 3.411200  ?              ?        
1 1 1 4   13 20 o 59.36021 3.838667  -6.919502      7.677334 
1 1 1 4   13 21 o 31.78070 5.540009  -8.171076      11.08002 
1 1 1 4   13 22 o 62.54676 3.764884  2.192059       7.529768 
1 1 1 4   13 23 o 68.42652 4.187016  12.01600       8.374032 
1 1 1 4   13 24 o 16.38804 5.322492  1.574483       10.64498 
1 1 1 4   13 25 o 42.73861 4.736389  -2.423012      9.472778 
1 1 1 4   13 26 o 56.20282 3.553664  -14.85897      7.107327 
1 1 1 4   13 27 o 26.21737 5.054725  3.858767       10.10945 
1 1 1 4   13 28 o 32.40310 4.581054  -3.043749      9.162107 
1 1 1 4   13 29 o 20.51138 4.013896  -9.940114      8.027793 
1 1 1 4   13 30 o 8.935508 4.320960  ?              ?        
1 1 1 4   13 31 x ?        ?         ?              ?        
1 1 1 4   14 0  o 77.07586 4.794276  ?              ?        
1 1 1 4   14 1  o 86.91672 4.690856  ?              ?        
1 1 1 4   14 2  o 178.8739 3.429207  ?              ?        
1 1 1 4   14 3  f 105.4074 3.139841  ?              ?        
1 1 1 4   14 4  o 73.47312 3.303816  ?              ?        
1 1 1 4   14 5  o 269.9539 4.292930  ?              ?        
1 1 1 4   14 6  o 198.1498 5.042126  ?              ?        
1 1 1 4   14 7  f 130.8078 3.180897  ?              ?        
1 1 1 4   14 8  o 244.4276 5.776876  ?              ?        
1 1 1 4   14 9  o 16.97308 7.234902  ?              ?        
1 1 1 4   14 10 x ?        ?         ?              ?        
1 1 1 4   14 11 x ?        ?         ?              ?        
1 1 1 4   14 12 o 91.97681 3.296895  -11.69198      6.593791 
1 1 1 4   14 13 o 76.67227 3.422338  4.670937       6.844676 
1 1 1 4   14 14 o 70.94958 3.483398  1.764282       6.966796 
1 1 1 4   14 15 o 113.7652 3.432775  1.653229       6.865550 
1 1 1 4   14 16 f 136.9180 3.489112  ?              ?        
1 1 1 4   14 17 o 104.8340 3.012767  -2.361916      6.025535 
1 1 1 4   14 18 o 89.13431 3.231658  7.657562       6.463315 
1 1 1 4   14 19 o 85.31010 3.351361  -8.209892      6.702721 
1 1 1 4   14 20 o 157.0767 3.364460  6.185211       6.728920 
1 1 1 4   14 21 o 50.84283 5.122613  5.196629       10.24523 
1 1 1 4   14 22 o 120.4488 3.326629  -1.511383      6.653258 
1 1 1 4   14 23 o 73.21648 4.016263  -4.214203      8.032525 
1 1 1 4   14 24 o 74.14654 3.475519  -1.420700      6.951038 
1 1 1 4   14 25 o 37.15471 4.448735  6.211887       8.897470 
1 1 1 4   14 26 o 30.55568 5.360445  -1.709455      10.72089 
1 1 1 4   14 27 o 53.97216 5.810651  ?              ?        
1 1 1 4   14 28 o 27.74810 3.961285  -12.53424      7.922569 
1 1 1 4   14 29 x ?        ?         ?              ?        
1 1 1 4   14 30 o 12.66597 3.883191  2.923291       7.766383 
1 1 1 4   15 0  x ?        ?         ?              ?        
1 1 1 4   15 1  o 34.96468 8.301776  ?              ?        
1 1 1 4   15 2  o 165.4377 4.855754  ?              ?        
1 1 1 4   15 3  x ?        ?         ?              ?        
1 1 1 4   15 4  o 104.6085 4.488034  ?              ?        
1 1 1 4   15 5  o 308.3907 4.772737  ?              ?        
1 1 1 4   15 6  o 99.83656 4.362691  ?              ?        
1 1 1 4   15 7  o 269.6638 4.379561  ?              ?        
1 1 1 4   15 8  o 63.10033 5.194654  ?              ?        
1 1 1 4   15 9  o 17.02974 7.289499  ?              ?        
1 1 1 4   15 10 o 89.00359 4.765798  ?              ?        
1 1 1 4   15 11 o 43.18263 6.244413  ?              ?        
1 1 1 4   15 12 o 119.3826 4.663607  ?              ?        
1 1 1 4   15 13 o 118.6748 3.326592  5.351105       6.653185 
1 1 1 4   15 14 o 130.0751 3.413064  3.555191       6.826127 
1 1 1 4   15 15 o 116.2933 3.439313  -5.297050      6.878627 
1 1 1 4   15 16 o 112.8880 3.529325  5.050621       7.058650 
1 1 1 4   15 17 o 93.47655 3.224715  16.93354       6.449431 
1 1 1 4   15 18 o 74.85379 4.171535  -26.95107      8.343070 
1 1 1 4   15 19 o 141.3928 3.325826  4.568756       6.651652 
1 1 1 4   15 20 o 62.97773 4.200756  -11.11581      8.401511 
1 1 1 4   15 21 o 21.72417 5.671466  -3.790819      11.34293 
1 1 1 4   15 22 o 45.51464 4.642188  3.112728       9.284376 
1 1 1 4   15 23 o 31.85419 5.172627  -17.46697      10.34525 
1 1 1 4   15 24 o 33.12411 5.649467  12.06753       11.29893 
1 1 1 4   15 25 o 15.25248 4.586109  -0.8639479     9.172218 
1 1 1 4   15 26 o 23.21823 5.020332  -1.350607      10.04066 
1 1 1 4   15 27 o 28.22271 4.678502  ?              ?        
1 1 1 4   15 28 o 38.31348 5.493616  ?              ?        
1 1 1 4   15 29 o 19.71868 4.197161  -7.854780      8.394321 
1 1 1 4   16 0  o 132.5743 4.693136  ?              ?        
1 1 1 4   16 1  f 101.4885 3.297276  ?              ?        
1 1 1 4   16 2  o 65.98583 3.548950  ?              ?        
1 1 1 4   16 3  o 83.39141 4.657816  ?              ?        
1 1 1 4   16 4  o 17.90706 6.609878  ?              ?        
1 1 1 4   16 5  o 104.8669 3.207525  ?              ?        
1 1 1 4   16 6  o 130.1032 4.540953  ?              ?        
1 1 1 4   16 7  o 50.18911 3.848516  ?              ?        
1 1 1 4   16 8  o 110.5726 3.246702  ?              ?        
1 1 1 4   16 9  o 151.1197 4.877736  ?              ?        
1 1 1 4   16 10 o 150.9583 4.982536  ?              ?        
1 1 1 4   16 11 o 152.6144 5.049105  ?              ?        
1 1 1 4   16 12 o 97.64413 4.935604  ?              ?        
1 1 1 4   16 13 o 58.40907 6.018709  ?              ?        
1 1 1 4   16 14 o 132.8514 3.570878  4.868546       7.141757 
1 1 1 4   16 15 o 119.8749 3.581024  -0.1496353     7.162048 
1 1 1 4   16 16 o 102.3574 3.778059  -4.478462      7.556119 
1 1 1 4   16 17 o 46.63338 4.494642  2.026165       8.989285 
1 1 1 4   16 18 o 36.99523 5.595717  -3.912464      11.19143 
1 1 1 4   16 19 o 49.25376 4.605696  11.85194       9.211391 
1 1 1 4   16 20 o 64.28804 4.165174  -7.828838      8.330349 
1 1 1 4   16 21 o 26.10943 6.327125  -8.448801      12.65425 
1 1 1 4   16 22 o 59.13003 4.631139  -1.666134      9.262278 
1 1 1 4   16 23 o 36.70177 5.405554  -13.93345      10.81111 
1 1 1 4   16 24 o 71.44200 3.398726  -3.698418      6.797451 
1 1 1 4   16 25 o 24.45404 5.465260  ?              ?        
1 1 1 4   16 26 o 53.08884 3.032821  -10.74256      6.065642 
1 1 1 4   16 27 o 16.54398 4.237716  -2.935677      8.475431 
1 1 1 4   16 28 o 42.34538 5.304560  ?              ?        
1 1 1 4   16 29 o 30.65022 4.205473  -6.372513      8.410947 
1 1 1 4   17 0  o 220.0933 5.614938  ?              ?        
1 1 1 4   17 1  f 252.6770 4.240602  ?              ?        
1 1 1 4   17 2  o 130.6197 3.284609  ?              ?        
1 1 1 4   17 3  o 134.6088 3.334854  ?              ?        
1 1 1 4   17 4  o 162.6043 3.460113  ?              ?        
1 1 1 4   17 5  o 22.43901 6.365511  ?              ?        
1 1 1 4   17 6  o 142.8953 4.694218  ?              ?        
1 1 1 4   17 7  o 119.2451 3.251627  ?              ?        
1 1 1 4   17 8  o 141.6601 3.393912  ?              ?        
1 1 1 4   17 9  o 111.4499 4.817751  ?              ?        
1 1 1 4   17 10 o 138.6142 4.979147  ?              ?        
1 1 1 4   17 11 o 95.36520 5.142277  ?              ?        
1 1 1 4   17 12 o 91.74403 5.255303  ?              ?        
1 1 1 4   17 13 o 79.06401 5.857422  ?              ?        
1 1 1 4   17 14 o 66.39860 6.373230  ?              ?        
1 1 1 4   17 15 o 108.8779 3.761432  6.774445       7.522864 
1 1 1 4   17 16 o 79.31029 4.152575  -2.841560      8.305149 
1 1 1 4   17 17 o 151.1786 3.875403  5.684921       7.750806 
1 1 1 4   17 18 o 27.93659 6.911998  -9.388708      13.82400 
1 1 1 4   17 19 o 89.42742 4.107634  -5.848053      8.215268 
1 1 1 4   17 20 o 66.69705 4.490511  -2.715782      8.981022 
1 1 1 4   17 21 o 52.82038 4.170156  8.309956       8.340312 
1 1 1 4   17 22 o 42.02809 4.949666  ?              ?        
1 1 1 4   17 23 o 26.14897 5.290941  -2.386770      10.58188 
1 1 1 4   17 24 o 14.80635 4.124432  -7.371301      8.248863 
1 1 1 4   17 25 o 13.88030 4.102010  -2.512695      8.204021 
1 1 1 4   17 26 o 17.92806 4.502430  1.171385       9.004861 
1 1 1 4   17 27 o 15.73422 4.231753  7.254722       8.463506 
1 1 1 4   17 28 o 21.12539 4.856404  8.101070       9.712809 
1 1 1 4   18 0  o 71.87855 3.529011  ?              ?        
1 1 1 4   18 1  o 145.4195 3.413995  ?              ?        
1 1 1 4   18 2  o 180.7683 3.656762  ?              ?        
1 1 1 4   18 3  o 52.24193 4.108247  ?              ?        
1 1 1 4   18 4  o 93.53867 3.344975  ?              ?        
1 1 1 4   18 5  o 79.61941 3.415491  ?              ?        
1 1 1 4   18 6  o 151.9699 4.915464  ?              ?        
1 1 1 4   18 7  o 136.9398 3.424662  ?              ?        
1 1 1 4   18 8  o 148.4067 3.491884  ?              ?        
1 1 1 4   18 9  o 122.8977 3.467543  ?              ?        
1 1 1 4   18 10 o 73.25517 5.626367  ?              ?        
1 1 1 4   18 11 o 120.2461 5.257165  ?              ?        
1 1 1 4   18 12 o 76.54364 5.672999  ?              ?        
1 1 1 4   18 13 o 91.13329 5.472269  ?              ?        
1 1 1 4   18 14 x ?        ?         ?              ?        
1 1 1 4   18 15 x ?        ?         ?              ?        
1 1 1 4   18 16 o 83.13464 6.154697  ?              ?        
1 1 1 4   18 17 o 63.66014 4.694450  -5.210350      9.388901 
1 1 1 4   18 18 o 90.77814 3.562723  6.344475       7.125446 
1 1 1 4   18 19 o 75.92574 4.331186  ?              ?        
1 1 1 4   18 20 o 36.90003 5.271581  -3.186115      10.54316 
1 1 1 4   18 21 o 70.41557 3.606508  7.840569       7.213015 
1 1 1 4   18 22 o 50.14728 4.564266  -14.01331      9.128532 
1 1 1 4   18 23 o 64.92043 3.199153  4.812752       6.398305 
1 1 1 4   18 24 o 42.03790 3.821314  -15.23430      7.642628 
1 1 1 4   18 25 o 46.16856 3.753771  -0.3214760     7.507542 
1 1 1 4   18 26 o 15.76343 4.303044  4.670541       8.606089 
1 1 1 4   18 27 o 17.59801 4.231073  -6.291866      8.462146 
1 1 1 4   19 0  o 30.39020 6.091252  ?              ?        
1 1 1 4   19 1  o 56.03915 4.087359  ?              ?        
1 1 1 4   19 2  o 64.35386 3.763327  ?              ?        
1 1 1 4   19 3  o 53.64337 4.068463  ?              ?        
1 1 1 4   19 4  o 76.15980 3.634804  ?              ?        
1 1 1 4   19 5  o 24.26974 6.840429  ?              ?        
1 1 1 4   19 6  o 129.3729 4.900924  ?              ?        
1 1 1 4   19 7  o 69.28365 3.755517  ?              ?        
1 1 1 4   19 8  o 85.73252 3.734777  ?              ?        
1 1 1 4   19 9  o 79.32595 5.022248  ?              ?        
1 1 1 4   19 10 o 181.6837 5.343938  ?              ?        
1 1 1 4   19 11 o 23.18932 9.188489  ?              ?        
1 1 1 4   19 12 o 90.74654 5.749759  ?              ?        
1 1 1 4   19 13 o 86.44858 6.202626  ?              ?        
1 1 1 4   19 14 o 139.7070 5.674865  ?              ?        
1 1 1 4   19 15 o 69.09150 6.485638  ?              ?        
1 1 1 4   19 16 o 54.85638 7.900173  ?              ?        
1 1 1 4   19 17 o 60.74938 6.635030  ?              ?        
1 1 1 4   19 18 o 65.76378 4.071070  -11.97689      8.142139 
1 1 1 4   19 19 f 88.76099 3.415633  5.347420       6.831267 
1 1 1 4   19 20 o 85.68916 3.374511  11.35764       6.749023 
1 1 1 4   19 21 o 38.81448 5.110537  -3.489792      10.22107 
1 1 1 4   19 22 o 65.20787 3.742900  2.538754       7.485800 
1 1 1 4   19 23 o 29.95798 4.507423  -10.97802      9.014847 
1 1 1 4   19 24 o 60.71326 3.084377  -8.715214      6.168755 
1 1 1 4   19 25 o 32.87741 4.134347  -8.511297      8.268694 
1 1 1 4   19 26 o 28.04737 5.238716  -6.946856      10.47743 
1 1 1 4   20 0  o 107.0694 4.993177  ?              ?        
1 1 1 4   20 1  o 122.9857 5.046294  ?              ?        
1 1 1 4   20 2  o 51.63857 6.256585  ?              ?        
1 1 1 4   20 3  o 71.98066 5.406857  ?              ?        
1 1 1 4   20 4  o 54.88646 4.598893  ?              ?        
1 1 1 4   20 5  o 77.61060 3.794203  ?              ?        
1 1 1 4   20 6  o 81.45530 3.867248  ?              ?        
1 1 1 4   20 7  o 36.55788 5.895380  ?              ?        
1 1 1 4   20 8  o 119.9231 5.347383  ?              ?        
1 1 1 4   20 9  o 66.33311 6.133325  ?              ?        
1 1 1 4   20 10 o 73.68038 6.057338  ?              ?        
1 1 1 4   20 11 o 122.9674 5.620904  ?              ?        
1 1 1 4   20 12 o 96.38294 6.026783  ?              ?        
1 1 1 4   20 13 o 87.61697 6.011598  ?              ?        
1 1 1 4   20 14 o 17.09588 7.909924  ?              ?        
1 1 1 4   20 15 o 17.35540 8.067320  ?              ?        
1 1 1 4   20 16 o 50.05629 7.686995  ?              ?        
1 1 1 4   20 17 o 38.21900 8.769110  ?              ?        
1 1 1 4   20 18 o 21.68890 8.640521  ?              ?        
1 1 1 4   20 19 o 56.40540 4.332796  ?              ?        
1 1 1 4   20 20 o 19.72249 5.348533  6.761332       10.69707 
1 1 1 4   20 21 o 36.71315 4.585163  1.946571       9.170325 
1 1 1 4   20 22 o 22.40354 4.165251  -12.63197      8.330503 
1 1 1 4   20 23 o 63.47072 3.037721  -6.113949      6.075442 
1 1 1 4   20 24 o 26.13671 5.119756  17.64475       10.23951 
1 1 1 4   20 25 o 24.86924 4.501313  1.877192       9.002626 
1 1 1 4   21 0  o 80.05233 3.866597  ?              ?        
1 1 1 4   21 1  o 81.07091 3.896358  ?              ?        
1 1 1 4   21 2  o 35.35653 8.667223  ?              ?        
1 1 1 4   21 3  o 58.13308 4.524436  ?              ?        
1 1 1 4   21 4  o 91.83363 3.835667  ?              ?        
1 1 1 4   21 5  f 81.46268 3.993906  ?              ?        
1 1 1 4   21 6  o 93.53767 4.077717  ?              ?        
1 1 1 4   21 7  o 43.05079 5.673582  ?              ?        
1 1 1 4   21 8  o 131.5170 3.746535  ?              ?        
1 1 1 4   21 9  o 80.21045 4.060833  ?              ?        
1 1 1 4   21 10 o 27.29409 7.871778  ?              ?        
1 1 1 4   21 11 o 84.74459 4.055624  ?              ?        
1 1 1 4   21 12 o 116.9768 3.903054  ?              ?        
1 1 1 4   21 13 o 20.04827 8.698104  ?              ?        
1 1 1 4   21 14 o 33.77481 10.12790  ?              ?        
1 1 1 4   21 15 o 57.08816 7.202884  ?              ?        
1 1 1 4   21 16 f 61.37813 6.742045  ?              ?        
1 1 1 4   21 17 o 29.19899 8.993877  ?              ?        
1 1 1 4   21 18 o 16.63632 7.200423  ?              ?        
1 1 1 4   21 19 o 44.02309 4.477367  ?              ?        
1 1 1 4   21 20 o 46.62286 4.344329  ?              ?        
1 1 1 4   21 21 o 50.90234 4.220101  8.752773       8.440202 
1 1 1 4   21 22 o 21.62565 4.555053  -5.597134      9.110106 
1 1 1 4   21 23 o 18.52763 4.526358  -2.734833      9.052716 
1 1 1 4   21 24 o 16.43859 5.957419  ?              ?        
1 1 1 4   22 0  o 81.64275 3.935654  ?              ?        
1 1 1 4   22 1  o 20.63177 7.584373  ?              ?        
1 1 1 4   22 2  o 64.19355 6.637002  ?              ?        
1 1 1 4   22 3  o 21.82741 7.850911  ?              ?        
1 1 1 4   22 4  o 48.98803 5.314008  ?              ?        
1 1 1 4   22 5  o 80.17993 4.096164  ?              ?        
1 1 1 4   22 6  o 50.46790 5.345991  ?              ?        
1 1 1 4   22 7  o 51.78360 4.988899  ?              ?        
1 1 1 4   22 8  o 68.93949 4.566277  ?              ?        
1 1 1 4   22 9  o 76.10684 4.208153  ?              ?        
1 1 1 4   22 10 o 39.12565 5.974398  ?              ?        
1 1 1 4   22 11 o 29.88720 7.203424  ?              ?        
1 1 1 4   22 12 o 20.13668 7.380575  ?              ?        
1 1 1 4   22 13 o 78.45644 4.134171  ?              ?        
1 1 1 4   22 14 o 19.33391 8.465611  ?              ?        
1 1 1 4   22 15 o 45.02615 8.520170  ?              ?        
1 1 1 4   22 16 o 25.42733 8.973529  ?              ?        
1 1 1 4   22 17 x ?        ?         ?              ?        
1 1 1 4   22 18 o 35.56489 7.120450  ?              ?        
1 1 1 4   22 19 o 40.39312 6.008179  ?              ?        
1 1 1 4   22 20 f 43.59767 4.380423  ?              ?        
1 1 1 4   22 21 o 35.39387 4.480031  ?              ?        
1 1 1 4   22 22 o 17.99714 6.176704  ?              ?        
1 1 1 4   22 23 o 18.19376 5.993169  ?              ?        
1 1 1 4   23 0  o 52.87805 5.016736  ?              ?        
1 1 1 4   23 1  o 70.34550 4.620489  ?              ?        
1 1 1 4   23 2  o 156.7846 4.081997  ?              ?        
1 1 1 4   23 3  f 96.08643 4.168144  ?              ?        
1 1 1 4   23 4  o 41.12904 6.663953  ?              ?        
1 1 1 4   23 5  o 128.7925 4.155498  ?              ?        
1 1 1 4   23 6  o 25.64163 8.525196  ?              ?        
1 1 1 4   23 7  o 59.86000 4.890063  ?              ?        
1 1 1 4   23 8  o 57.28996 4.885782  ?              ?        
1 1 1 4   23 9  o 97.62395 3.945157  ?              ?        
1 1 1 4   23 10 o 30.70563 7.063193  ?              ?        
1 1 1 4   23 11 o 91.01498 5.461689  ?              ?        
1 1 1 4   23 12 o 32.12751 8.278888  ?              ?        
1 1 1 4   23 13 o 17.30505 7.455325  ?              ?        
1 1 1 4   23 14 o 23.95855 7.358009  ?              ?        
1 1 1 4   23 15 o 32.37580 8.998983  ?              ?        
1 1 1 4   23 16 o 29.56978 7.445319  ?              ?        
1 1 1 4   23 17 o 54.76147 5.257412  ?              ?        
1 1 1 4   23 18 o 42.49583 4.908237  ?              ?        
1 1 1 4   23 19 o 29.88113 6.733971  ?              ?        
1 1 1 4   23 20 o 10.71312 4.914525  ?              ?        
1 1 1 4   23 21 f 14.78688 5.837615  ?              ?        
1 1 1 4   24 0  o 19.31798 8.400455  ?              ?        
1 1 1 4   24 1  o 25.44815 9.795177  ?              ?        
1 1 1 4   24 2  o 58.54342 7.651855  ?              ?        
1 1 1 4   24 3  o 87.55910 6.142281  ?              ?        
1 1 1 4   24 4  o 95.28152 5.970004  ?              ?        
1 1 1 4   24 5  o 33.35793 10.24071  ?              ?        
1 1 1 4   24 6  o 24.40593 8.130685  ?              ?        
1 1 1 4   24 7  o 17.84809 7.164445  ?              ?        
1 1 1 4   24 8  o 16.14254 6.787888  ?              ?        
1 1 1 4   24 9  o 132.2545 3.840288  ?              ?        
1 1 1 4   24 10 o 66.74177 4.199402  ?              ?        
1 1 1 4   24 11 o 27.65054 7.109269  ?              ?        
1 1 1 4   24 12 o 25.72920 7.308170  ?              ?        
1 1 1 4   24 13 o 26.48498 8.019046  ?              ?        
1 1 1 4   24 14 o 20.20260 7.485281  ?              ?        
1 1 1 4   24 15 o 61.83350 4.922275  ?              ?        
1 1 1 4   24 16 o 36.32055 5.809853  ?              ?        
1 1 1 4   24 17 o 25.66729 6.529932  ?              ?        
1 1 1 4   24 18 o 15.91152 6.431701  ?              ?        
1 1 1 4   24 19 o 10.60108 5.058406  ?              ?        
1 1 1 4   24 20 o 15.04082 6.337205  ?              ?        
1 1 1 4   25 0  o 58.14281 5.008753  ?              ?        
1 1 1 4   25 1  o 65.21036 4.489136  ?              ?        
1 1 1 4   25 2  o 42.58118 5.809028  ?              ?        
1 1 1 4   25 3  o 75.75962 4.306476  ?              ?        
1 1 1 4   25 4  o 82.14607 4.177653  ?              ?        
1 1 1 4   25 5  o 53.95553 4.848611  ?              ?        
1 1 1 4   25 6  o 19.57757 7.385165  ?              ?        
1 1 1 4   25 7  o 24.73047 7.099705  ?              ?        
1 1 1 4   25 8  o 37.95457 5.047266  ?              ?        
1 1 1 4   25 9  f 31.76124 5.776898  ?              ?        
1 1 1 4   25 10 o 27.41471 6.309156  ?              ?        
1 1 1 4   25 11 o 18.81090 6.480015  ?              ?        
1 1 1 4   25 12 o 48.19794 4.080184  ?              ?        
1 1 1 4   25 13 o 22.99366 6.014380  ?              ?        
1 1 1 4   25 14 o 27.86878 4.984982  ?              ?        
1 1 1 4   25 15 o 42.69308 3.756876  ?              ?        
1 1 1 4   25 16 o 13.52334 5.446562  ?              ?        
1 1 1 4   25 17 o 15.52574 6.447908  ?              ?        
1 1 1 4   25 18 o 14.18896 6.035350  ?              ?        
1 1 1 4   26 0  o 42.76488 5.071104  ?              ?        
1 1 1 4   26 1  o 54.51642 4.477943  ?              ?        
1 1 1 4   26 2  o 30.47687 6.181862  ?              ?        
1 1 1 4   26 3  o 34.93183 5.376769  ?              ?        
1 1 1 4   26 4  o 17.65594 6.787786  ?              ?        
1 1 1 4   26 5  o 13.89151 6.040833  ?              ?        
1 1 1 4   26 6  o 57.39571 4.133924  ?              ?        
1 1 1 4   26 7  o 26.83727 6.285425  ?              ?        
1 1 1 4   26 8  o 32.58554 5.169984  ?              ?        
1 1 1 4   26 9  o 32.54951 5.237481  ?              ?        
1 1 1 4   26 10 o 32.12607 4.747572  ?              ?        
1 1 1 4   26 11 o 20.14927 5.755211  ?              ?        
1 1 1 4   26 12 o 23.27334 5.726995  ?              ?        
1 1 1 4   26 13 o 22.14189 5.440690  ?              ?        
1 1 1 4   26 14 o 40.62093 3.799125  ?              ?        
1 1 1 4   26 15 o 21.02915 5.640622  ?              ?        
1 1 1 4   26 16 o 10.67353 5.036567  ?              ?        
1 1 1 4   27 0  o 16.22812 6.353097  ?              ?        
1 1 1 4   27 1  o 44.35662 6.355688  ?              ?        
1 1 1 4   27 2  o 65.93104 3.877423  ?              ?        
1 1 1 4   27 3  o 54.26782 4.143932  ?              ?        
1 1 1 4   27 4  o 15.96258 6.404335  ?              ?        
1 1 1 4   27 5  f 19.22232 6.578489  ?              ?        
1 1 1 4   27 6  o 38.06015 4.397584  ?              ?        
1 1 1 4   27 7  o 14.23652 5.528354  ?              ?        
1 1 1 4   27 8  o 34.09488 4.064463  ?              ?        
1 1 1 4   27 9  o 14.26481 5.411350  ?              ?        
1 1 1 4   27 10 o 27.37681 4.527148  ?              ?        
1 1 1 4   27 11 o 19.08077 7.110318  ?              ?        
1 1 1 4   27 12 o 10.87843 5.159076  ?              ?        
1 1 1 4   27 13 o 22.24766 6.791645  ?              ?        
1 1 1 4   27 14 o 41.18644 5.361828  ?              ?        
1 1 1 4   28 0  x ?        ?         ?              ?        
1 1 1 4   28 1  o 26.83094 6.935342  ?              ?        
1 1 1 4   28 2  o 30.93803 6.224103  ?              ?        
1 1 1 4   28 3  o 22.06361 6.875741  ?              ?        
1 1 1 4   28 4  o 17.39048 6.700433  ?              ?        
1 1 1 4   28 5  o 15.78942 6.429123  ?              ?        
1 1 1 4   28 6  o 16.67431 6.804646  ?              ?        
1 1 1 4   28 7  o 16.55788 6.649379  ?              ?        
1 1 1 4   28 8  o 9.771257 4.749864  ?              ?        
1 1 1 4   28 9  f 42.31796 5.389777  ?              ?        
1 1 1 4   28 10 o 20.06093 6.737679  ?              ?        
1 1 1 4   28 11 x ?        ?         ?              ?        
1 1 1 4   29 0  x ?        ?         ?              ?        
1 1 1 4   29 1  x ?        ?         ?              ?        
1 1 1 4   29 2  x ?        ?         ?              ?        
1 1 1 4   29 3  x ?        ?         ?              ?        
1 1 1 4   29 4  x ?        ?         ?              ?        
1 1 1 4   29 5  x ?        ?         ?              ?        
1 1 1 4   29 6  x ?        ?         ?              ?        
1 1 1 4   29 7  x ?        ?         ?              ?        
1 1 1 5   0  0  o 329.0077 4.379403  -0.000000      0.000000 
1 1 1 5   0  1  o 58.01830 1.016777  -0.000000      0.000000 
1 1 1 5   0  2  x ?        ?         ?              ?        
1 1 1 5   0  3  x ?        ?         ?              ?        
1 1 1 5   0  4  x ?        ?         ?              ?        
1 1 1 5   0  5  x ?        ?         ?              ?        
1 1 1 5   0  6  o 385.7849 7.388875  -0.000000      0.000000 
1 1 1 5   0  7  x ?        ?         ?              ?        
1 1 1 5   0  8  x ?        ?         ?              ?        
1 1 1 5   0  9  o 98.29069 1.517946  -0.000000      0.000000 
1 1 1 5   0  10 x ?        ?         ?              ?        
1 1 1 5   0  11 f 54.27518 1.288756  -0.000000      0.000000 
1 1 1 5   0  12 o 183.6926 2.624386  -0.000000      0.000000 
1 1 1 5   0  13 o 340.3717 4.601555  -0.000000      0.000000 
1 1 1 5   0  14 o 268.0592 5.341425  -0.000000      0.000000 
1 1 1 5   0  15 o 170.8794 2.555070  -0.000000      0.000000 
1 1 1 5   0  16 o 202.3013 4.045428  -0.000000      0.000000 
1 1 1 5   0  17 o 196.5552 2.926157  -0.000000      0.000000 
1 1 1 5   0  18 o 18.33755 4.416036  -0.000000      0.000000 
1 1 1 5   0  19 o 83.17622 1.966159  -0.000000      0.000000 
1 1 1 5   0  20 o 29.88562 2.861413  -0.000000      0.000000 
1 1 1 5   0  21 o 190.7838 2.972393  -0.000000      0.000000 
1 1 1 5   0  22 o 37.88379 2.836590  -0.000000      0.000000 
1 1 1 5   0  23 o 189.5535 3.078741  -0.000000      0.000000 
1 1 1 5   0  24 o 65.83763 4.427207  -0.000000      0.000000 
1 1 1 5   0  25 o 56.74587 2.935838  -0.000000      0.000000 
1 1 1 5   0  26 o 100.6131 3.470758  -0.000000      0.000000 
1 1 1 5   0  27 o 9.575758 6.179953  -0.000000      0.000000 
1 1 1 5   0  28 o 23.35988 6.832615  -0.000000      0.000000 
1 1 1 5   0  29 o 79.41577 2.797066  -0.000000      0.000000 
1 1 1 5   0  30 o 69.14679 2.809578  -0.000000      0.000000 
1 1 1 5   0  31 o 49.20355 3.140806  -0.000000      0.000000 
1 1 1 5   0  32 o 60.64524 2.932300  -0.000000      0.000000 
1 1 1 5   0  33 o 15.76182 7.577005  -0.000000      0.000000 
1 1 1 5   0  34 o 10.77089 5.981058  -0.000000      0.000000 
1 1 1 5   1  0  o 507.8148 4.780565  -17.13965      9.561131 
1 1 1 5   1  1  o 415.4449 3.937130  -27.94107      7.874260 
1 1 1 5   1  2  x ?        ?         ?              ?        
1 1 1 5   1  3  o 192.4001 3.724187  ?              ?        
1 1 1 5   1  4  o 387.7113 7.322878  ?              ?        
1 1 1 5   1  5  o 189.5755 3.684457  ?              ?        
1 1 1 5   1  6  o 110.7358 2.348957  ?              ?        
1 1 1 5   1  7  o 124.9356 1.546063  -10.16351      3.092127 
1 1 1 5   1  8  o 180.8215 1.789891  -8.859131      3.579782 
1 1 1 5   1  9  o 189.5712 1.874272  -6.976883      3.748545 
1 1 1 5   1  10 o 493.8704 4.658626  -13.50909      9.317252 
1 1 1 5   1  11 o 140.9739 1.500241  -9.762955      3.000481 
1 1 1 5   1  12 o 345.8236 3.306112  -7.752716      6.612225 
1 1 1 5   1  13 o 402.5024 4.754688  -8.200195      9.509376 
1 1 1 5   1  14 o 195.5555 2.516307  1.252487       5.032615 
1 1 1 5   1  15 o 184.6112 1.934977  2.074280       3.869953 
1 1 1 5   1  16 o 172.7557 2.530632  -10.67213      5.061265 
1 1 1 5   1  17 o 195.1437 2.051131  2.603531       4.102262 
1 1 1 5   1  18 o 174.0638 1.909584  -0.5254364     3.819168 
1 1 1 5   1  19 f 169.6069 1.895934  4.157578       3.791867 
1 1 1 5   1  20 o 107.3013 1.534114  -1.744255      3.068229 
1 1 1 5   1  21 o 96.63022 1.546297  9.351189       3.092593 
1 1 1 5   1  22 o 48.99970 1.708989  8.112129       3.417977 
1 1 1 5   1  23 o 75.10672 2.231495  -0.7347794     4.462990 
1 1 1 5   1  24 o 45.77205 2.926599  10.26607       5.853197 
1 1 1 5   1  25 o 23.40111 5.907024  ?              ?        
1 1 1 5   1  26 o 52.40524 2.810596  7.037209       5.621193 
1 1 1 5   1  27 o 27.34135 3.712687  -3.009369      7.425374 
1 1 1 5   1  28 o 51.75114 2.299707  -6.271339      4.599414 
1 1 1 5   1  29 o 56.58526 2.230077  3.900978       4.460154 
1 1 1 5   1  30 o 50.28338 2.249489  -7.084873      4.498979 
1 1 1 5   1  31 o 41.87101 2.413375  -9.166389      4.826750 
1 1 1 5   1  32 o 56.96986 2.113395  -0.5030518     4.226791 
1 1 1 5   1  33 o 14.80980 4.181828  -0.2220011     8.363656 
1 1 1 5   1  34 o 31.89023 2.635077  -5.018412      5.270155 
1 1 1 5   2  0  o 336.0556 3.229926  -6.806061      6.459852 
1 1 1 5   2  1  o 76.51399 1.267518  -3.844780      2.535035 
1 1 1 5   2  2  o 142.4836 1.834192  1.287125       3.668383 
1 1 1 5   2  3  o 115.7253 1.753861  -9.017082      3.507721 
1 1 1 5   2  4  f 148.1488 2.997872  ?              ?        
1 1 1 5   2  5  o 268.5060 3.639561  ?              ?        
1 1 1 5   2  6  x ?        ?         ?              ?        
1 1 1 5   2  7  o 144.1508 3.050467  ?              ?        
1 1 1 5   2  8  o 180.2969 2.149743  -20.63051      4.299485 
1 1 1 5   2  9  f 337.7204 3.866471  -19.16522      7.732943 
1 1 1 5   2  10 o 185.5574 2.291966  -8.690201      4.583931 
1 1 1 5   2  11 o 233.3373 2.308752  0.9422455      4.617504 
1 1 1 5   2  12 o 129.7512 1.765909  -5.115471      3.531819 
1 1 1 5   2  13 o 321.0848 3.108028  6.650238       6.216055 
1 1 1 5   2  14 o 82.13155 1.816339  0.3023148      3.632677 
1 1 1 5   2  15 o 206.7527 2.638104  -0.8356018     5.276207 
1 1 1 5   2  16 o 235.9969 2.857709  6.776382       5.715418 
1 1 1 5   2  17 o 131.5343 1.620202  -6.316055      3.240405 
1 1 1 5   2  18 o 204.8865 2.167518  5.469330       4.335035 
1 1 1 5   2  19 o 273.3927 2.762006  5.554901       5.524011 
1 1 1 5   2  20 o 83.68670 2.405217  ?              ?        
1 1 1 5   2  21 o 114.3126 1.636405  0.1464767      3.272809 
1 1 1 5   2  22 o 75.29886 1.605200  2.632332       3.210400 
1 1 1 5   2  23 o 72.59386 2.211970  -1.360825      4.423940 
1 1 1 5   2  24 o 55.31147 2.751742  0.1140518      5.503485 
1 1 1 5   2  25 o 112.5014 2.328194  -1.757309      4.656388 
1 1 1 5   2  26 o 54.97653 2.365728  2.467270       4.731457 
1 1 1 5   2  27 o 52.39659 2.309837  0.9253311E-01  4.619673 
1 1 1 5   2  28 o 47.30248 2.483619  -9.153130      4.967238 
1 1 1 5   2  29 o 25.11936 3.836492  3.474110       7.672984 
1 1 1 5   2  30 o 32.96943 2.875433  -4.290956      5.750866 
1 1 1 5   2  31 o 18.99166 3.675353  -11.69700      7.350706 
1 1 1 5   2  32 o 38.84015 3.643168  12.94117       7.286335 
1 1 1 5   2  33 o 16.65954 3.756952  -6.971053      7.513905 
1 1 1 5   2  34 o 31.11153 2.701072  -0.3725681     5.402144 
1 1 1 5   3  0  o 168.3301 2.169040  -2.919403      4.338080 
1 1 1 5   3  1  o 246.2359 3.426464  -12.05611      6.852928 
1 1 1 5   3  2  o 337.0630 4.566019  -8.735870      9.132038 
1 1 1 5   3  3  o 181.1487 2.591970  -10.95464      5.183939 
1 1 1 5   3  4  o 121.8438 2.664805  ?              ?        
1 1 1 5   3  5  o 60.91891 1.394956  ?              ?        
1 1 1 5   3  6  o 217.3417 4.357807  ?              ?        
1 1 1 5   3  7  o 175.8909 2.593566  -3.007813      5.187133 
1 1 1 5   3  8  o 352.9658 4.084234  -15.14105      8.168468 
1 1 1 5   3  9  o 85.69700 2.589332  ?              ?        
1 1 1 5   3  10 o 273.2899 3.296047  -3.235413      6.592093 
1 1 1 5   3  11 o 107.3489 1.924996  1.274963       3.849993 
1 1 1 5   3  12 o 492.0280 5.767501  0.6628113      11.53500 
1 1 1 5   3  13 o 40.08112 2.308980  -0.9551315     4.617961 
1 1 1 5   3  14 o 430.6902 5.098320  -1.376892      10.19664 
1 1 1 5   3  15 o 194.7638 2.094466  11.24060       4.188933 
1 1 1 5   3  16 f 86.74170 1.833634  -0.1396866     3.667268 
1 1 1 5   3  17 o 200.7854 2.169393  13.83554       4.338786 
1 1 1 5   3  18 o 90.33709 1.546271  0.5531158      3.092543 
1 1 1 5   3  19 o 46.98986 1.874153  -4.112762      3.748306 
1 1 1 5   3  20 o 64.26208 1.666875  -5.195141      3.333750 
1 1 1 5   3  21 o 16.04650 5.823768  ?              ?        
1 1 1 5   3  22 o 80.85767 2.090522  0.8967819      4.181043 
1 1 1 5   3  23 o 88.50420 1.758203  8.757423       3.516407 
1 1 1 5   3  24 o 173.3556 2.159260  -0.4185181     4.318519 
1 1 1 5   3  25 o 110.7953 2.455196  1.235535       4.910392 
1 1 1 5   3  26 o 30.56599 3.923057  -9.786621      7.846114 
1 1 1 5   3  27 o 73.23512 2.095041  -4.059677      4.190082 
1 1 1 5   3  28 f 74.85385 2.094044  -9.981514      4.188089 
1 1 1 5   3  29 o 27.40414 3.668593  -4.238745      7.337186 
1 1 1 5   3  30 o 11.03656 3.362261  -3.689888      6.724523 
1 1 1 5   3  31 o 15.36332 3.825767  8.159385       7.651534 
1 1 1 5   3  32 o 22.54222 4.291393  -12.00764      8.582786 
1 1 1 5   3  33 o 39.42749 4.745771  ?              ?        
1 1 1 5   3  34 o 45.02546 4.961453  ?              ?        
1 1 1 5   4  0  o 148.9067 3.298773  ?              ?        
1 1 1 5   4  1  o 310.8925 4.276782  -7.913513      8.553563 
1 1 1 5   4  2  o 227.2330 3.219940  -6.252121      6.439880 
1 1 1 5   4  3  o 229.3326 3.235974  -1.391937      6.471947 
1 1 1 5   4  4  o 171.4379 3.586533  ?              ?        
1 1 1 5   4  5  o 69.32298 1.598567  ?              ?        
1 1 1 5   4  6  o 168.6591 3.624507  ?              ?        
1 1 1 5   4  7  x ?        ?         ?              ?        
1 1 1 5   4  8  o 157.0027 3.536404  ?              ?        
1 1 1 5   4  9  o 213.3556 2.678193  -8.894684      5.356386 
1 1 1 5   4  10 o 133.8020 2.051226  5.803207       4.102452 
1 1 1 5   4  11 o 273.4733 3.355668  -4.264160      6.711337 
1 1 1 5   4  12 o 189.9859 2.819608  ?              ?        
1 1 1 5   4  13 o 227.6310 2.949703  2.028442       5.899406 
1 1 1 5   4  14 o 43.27972 2.673549  1.561771       5.347097 
1 1 1 5   4  15 o 168.2497 2.836802  2.049820       5.673603 
1 1 1 5   4  16 o 186.5811 2.612307  -0.1510010     5.224613 
1 1 1 5   4  17 o 95.04441 1.613429  7.923523       3.226857 
1 1 1 5   4  18 o 69.47453 1.633542  ?              ?        
1 1 1 5   4  19 o 90.14617 1.658729  3.673813       3.317457 
1 1 1 5   4  20 o 76.53749 1.704403  2.737755       3.408805 
1 1 1 5   4  21 o 85.27348 2.039436  -9.574608      4.078872 
1 1 1 5   4  22 o 66.06715 1.906731  -0.7926941     3.813462 
1 1 1 5   4  23 o 45.49039 3.540736  -9.777508      7.081472 
1 1 1 5   4  24 o 43.58739 3.390338  8.726002       6.780675 
1 1 1 5   4  25 o 64.03130 2.171328  4.893986       4.342657 
1 1 1 5   4  26 o 31.61111 3.954011  -7.175531      7.908022 
1 1 1 5   4  27 o 87.72467 2.061607  -6.202843      4.123214 
1 1 1 5   4  28 o 80.72638 2.044005  -8.884621      4.088010 
1 1 1 5   4  29 o 54.75646 2.247864  -7.341274      4.495727 
1 1 1 5   4  30 o 32.39045 2.964045  -1.394045      5.928090 
1 1 1 5   4  31 o 14.65019 4.350045  -2.494100      8.700090 
1 1 1 5   4  32 o 22.26561 3.619913  -12.07853      7.239825 
1 1 1 5   4  33 o 50.91856 4.398661  ?              ?        
1 1 1 5   5  0  o 209.0625 3.085783  -5.471939      6.171566 
1 1 1 5   5  1  o 210.2990 3.082274  -5.552780      6.164547 
1 1 1 5   5  2  o 60.66922 2.421082  ?              ?        
1 1 1 5   5  3  o 116.9087 2.871871  ?              ?        
1 1 1 5   5  4  x ?        ?         ?              ?        
1 1 1 5   5  5  o 274.5987 5.482567  ?              ?        
1 1 1 5   5  6  o 327.6780 6.442274  ?              ?        
1 1 1 5   5  7  o 203.1611 4.322018  ?              ?        
1 1 1 5   5  8  o 192.9870 2.967865  4.149933       5.935730 
1 1 1 5   5  9  o 455.2572 8.777277  ?              ?        
1 1 1 5   5  10 o 106.0898 2.227939  ?              ?        
1 1 1 5   5  11 o 298.7995 3.685282  0.1947937      7.370564 
1 1 1 5   5  12 o 96.69755 3.430269  ?              ?        
1 1 1 5   5  13 o 106.3966 2.466127  6.206696       4.932253 
1 1 1 5   5  14 o 138.8812 2.291597  -2.809265      4.583194 
1 1 1 5   5  15 o 253.4708 3.286944  1.890961       6.573889 
1 1 1 5   5  16 o 39.71112 2.973796  -2.274067      5.947591 
1 1 1 5   5  17 o 158.3666 2.452399  -3.070023      4.904799 
1 1 1 5   5  18 o 115.5246 2.213368  0.3187637      4.426736 
1 1 1 5   5  19 o 86.83931 2.171841  4.718315       4.343682 
1 1 1 5   5  20 o 98.93652 2.354966  -5.815948      4.709932 
1 1 1 5   5  21 o 99.68816 2.657245  4.696922       5.314490 
1 1 1 5   5  22 o 22.25978 3.747339  -15.43305      7.494677 
1 1 1 5   5  23 o 107.4275 2.660033  2.505241       5.320066 
1 1 1 5   5  24 o 88.60480 2.098441  -8.326637      4.196881 
1 1 1 5   5  25 o 63.18635 2.605536  0.9732437      5.211072 
1 1 1 5   5  26 o 47.62153 2.753197  10.05084       5.506394 
1 1 1 5   5  27 o 109.3618 2.085698  -17.04161      4.171395 
1 1 1 5   5  28 o 71.55639 2.295573  ?              ?        
1 1 1 5   5  29 o 15.97666 3.806891  -8.988418      7.613783 
1 1 1 5   5  30 o 30.36231 4.379303  0.6576290      8.758605 
1 1 1 5   5  31 o 10.92630 3.555975  -0.4439411     7.111949 
1 1 1 5   5  32 o 35.54024 4.148398  ?              ?        
1 1 1 5   5  33 o 11.90542 3.775446  -1.260752      7.550891 
1 1 1 5   6  0  o 138.2366 2.394609  -1.738342      4.789219 
1 1 1 5   6  1  o 103.6744 2.935673  ?              ?        
1 1 1 5   6  2  o 104.0278 2.924208  ?              ?        
1 1 1 5   6  3  x ?        ?         ?              ?        
1 1 1 5   6  4  o 45.73997 2.667978  ?              ?        
1 1 1 5   6  5  o 77.46338 1.895435  ?              ?        
1 1 1 5   6  6  o 290.0715 4.091760  ?              ?        
1 1 1 5   6  7  o 28.57678 4.057015  ?              ?        
1 1 1 5   6  8  o 134.5353 2.457155  -2.064423      4.914310 
1 1 1 5   6  9  o 211.5894 3.249591  -0.5227356     6.499182 
1 1 1 5   6  10 o 359.4823 5.034157  -2.892731      10.06831 
1 1 1 5   6  11 o 266.1189 3.909734  -4.527161      7.819468 
1 1 1 5   6  12 f 211.5638 2.868497  -3.130905      5.736995 
1 1 1 5   6  13 o 479.9336 5.710247  -3.133972      11.42049 
1 1 1 5   6  14 o 116.6954 2.302830  6.349304       4.605660 
1 1 1 5   6  15 f 146.8737 2.454860  0.8080139      4.909720 
1 1 1 5   6  16 o 128.4080 2.332730  4.578247       4.665461 
1 1 1 5   6  17 o 149.3402 2.477915  3.388123       4.955830 
1 1 1 5   6  18 o 157.9165 2.804935  5.744873       5.609870 
1 1 1 5   6  19 o 70.26881 2.368623  5.944313       4.737246 
1 1 1 5   6  20 o 18.58407 4.497783  9.857959       8.995565 
1 1 1 5   6  21 o 84.62698 3.417559  ?              ?        
1 1 1 5   6  22 o 81.20078 2.666993  -10.06013      5.333986 
1 1 1 5   6  23 o 59.90392 2.967165  -2.372768      5.934329 
1 1 1 5   6  24 o 155.4316 3.145614  7.778992       6.291227 
1 1 1 5   6  25 o 79.68068 2.853833  -4.346733      5.707665 
1 1 1 5   6  26 o 54.39018 3.523674  -0.9445229     7.047349 
1 1 1 5   6  27 o 89.27275 2.901300  4.334450       5.802599 
1 1 1 5   6  28 o 44.43131 4.152864  -5.585873      8.305729 
1 1 1 5   6  29 o 64.60589 3.502870  -25.93690      7.005740 
1 1 1 5   6  30 o 48.60418 5.074312  ?              ?        
1 1 1 5   6  31 o 43.14084 4.763553  ?              ?        
1 1 1 5   6  32 o 32.57632 5.140127  ?              ?        
1 1 1 5   6  33 o 24.07013 4.101698  -6.840504      8.203396 
1 1 1 5   7  0  o 137.1130 2.450856  -12.62595      4.901712 
1 1 1 5   7  1  o 85.20257 2.036021  0.1006317      4.072042 
1 1 1 5   7  2  o 120.3910 2.255527  -0.3045273     4.511054 
1 1 1 5   7  3  x ?        ?         ?              ?        
1 1 1 5   7  4  o 337.3551 6.664822  ?              ?        
1 1 1 5   7  5  o 252.4896 3.689247  ?              ?        
1 1 1 5   7  6  o 322.1606 4.531722  ?              ?        
1 1 1 5   7  7  o 82.50140 3.165160  ?              ?        
1 1 1 5   7  8  f 126.9552 3.556038  ?              ?        
1 1 1 5   7  9  o 291.6988 4.233325  -7.002533      8.466651 
1 1 1 5   7  10 o 230.5416 3.544996  3.842941       7.089992 
1 1 1 5   7  11 o 115.1940 2.254248  3.211670       4.508495 
1 1 1 5   7  12 o 240.6008 3.168180  -7.070923      6.336361 
1 1 1 5   7  13 o 246.0338 3.266833  -1.944016      6.533666 
1 1 1 5   7  14 o 206.6578 2.951822  1.602966       5.903644 
1 1 1 5   7  15 o 88.80904 2.358446  -10.18663      4.716893 
1 1 1 5   7  16 o 122.0218 2.623716  -3.013351      5.247431 
1 1 1 5   7  17 f 101.0680 2.371069  -2.007439      4.742137 
1 1 1 5   7  18 o 137.5089 2.512230  -1.393326      5.024460 
1 1 1 5   7  19 o 74.84180 2.510549  2.946442       5.021098 
1 1 1 5   7  20 o 61.77317 2.079974  ?              ?        
1 1 1 5   7  21 o 47.79879 3.124742  2.295586       6.249485 
1 1 1 5   7  22 o 54.18350 3.457109  -10.25036      6.914217 
1 1 1 5   7  23 o 79.95831 3.164435  2.726730       6.328871 
1 1 1 5   7  24 o 60.11494 3.124976  5.617683       6.249952 
1 1 1 5   7  25 o 41.96866 4.474678  -7.713581      8.949355 
1 1 1 5   7  26 o 61.21075 3.377459  2.165710       6.754917 
1 1 1 5   7  27 o 160.1039 2.973269  -7.327179      5.946537 
1 1 1 5   7  28 o 25.82841 5.355586  4.420124       10.71117 
1 1 1 5   7  29 o 27.10916 4.695780  -3.632011      9.391561 
1 1 1 5   7  30 o 28.37988 3.612811  -26.50918      7.225621 
1 1 1 5   7  31 o 31.69308 3.864639  -21.42271      7.729278 
1 1 1 5   7  32 o 38.00712 3.673747  -19.41438      7.347493 
1 1 1 5   7  33 o 13.27751 4.005127  2.939075       8.010254 
1 1 1 5   8  0  o 292.5681 4.219595  -1.629059      8.439191 
1 1 1 5   8  1  o 272.2969 3.969389  -6.080292      7.938778 
1 1 1 5   8  2  o 254.5696 3.762889  15.20424       7.525779 
1 1 1 5   8  3  o 216.9765 4.730742  ?              ?        
1 1 1 5   8  4  o 109.3306 3.215510  ?              ?        
1 1 1 5   8  5  o 174.0384 2.890564  ?              ?        
1 1 1 5   8  6  o 504.8247 6.869129  ?              ?        
1 1 1 5   8  7  o 184.3209 4.322535  ?              ?        
1 1 1 5   8  8  o 21.69736 6.585466  ?              ?        
1 1 1 5   8  9  o 260.0866 3.909795  -6.212524      7.819591 
1 1 1 5   8  10 f 241.1105 3.733420  3.365494       7.466840 
1 1 1 5   8  11 o 300.1142 4.433949  -1.283081      8.867897 
1 1 1 5   8  12 o 248.3673 3.333105  -2.150665      6.666210 
1 1 1 5   8  13 o 167.5726 2.690487  -6.625381      5.380973 
1 1 1 5   8  14 o 168.9087 3.077116  -0.5389099     6.154232 
1 1 1 5   8  15 o 61.12925 2.687451  -0.6000366     5.374901 
1 1 1 5   8  16 o 101.3896 2.417081  -2.305954      4.834161 
1 1 1 5   8  17 o 113.4266 2.547763  ?              ?        
1 1 1 5   8  18 o 170.1006 2.966364  ?              ?        
1 1 1 5   8  19 o 227.8619 3.261404  -4.755554      6.522808 
1 1 1 5   8  20 o 128.2479 2.658093  13.46635       5.316187 
1 1 1 5   8  21 o 69.42744 3.253272  14.74101       6.506544 
1 1 1 5   8  22 f 157.7241 5.414268  ?              ?        
1 1 1 5   8  23 o 86.24937 2.840151  9.740143       5.680301 
1 1 1 5   8  24 o 107.4310 2.797149  1.126213       5.594297 
1 1 1 5   8  25 o 158.1437 2.996721  2.639755       5.993443 
1 1 1 5   8  26 o 127.7446 2.902393  -11.50147      5.804786 
1 1 1 5   8  27 o 33.65424 4.861523  -15.31305      9.723046 
1 1 1 5   8  28 o 15.81000 4.656973  11.57748       9.313947 
1 1 1 5   8  29 o 73.25074 2.548696  ?              ?        
1 1 1 5   8  30 o 37.64484 3.456796  -1.025368      6.913593 
1 1 1 5   8  31 o 26.93385 3.774072  -24.04878      7.548144 
1 1 1 5   8  32 o 26.08737 4.369227  -5.336052      8.738455 
1 1 1 5   9  0  o 140.3837 2.660194  1.934250       5.320389 
1 1 1 5   9  1  f 164.9400 2.866461  -2.352798      5.732922 
1 1 1 5   9  2  o 528.4283 10.22349  ?              ?        
1 1 1 5   9  3  o 342.6102 6.891713  ?              ?        
1 1 1 5   9  4  o 188.2007 3.105751  ?              ?        
1 1 1 5   9  5  o 210.7172 3.339407  ?              ?        
1 1 1 5   9  6  f 38.79606 2.975944  ?              ?        
1 1 1 5   9  7  o 79.45089 3.705574  ?              ?        
1 1 1 5   9  8  o 305.6950 6.358654  ?              ?        
1 1 1 5   9  9  x ?        ?         ?              ?        
1 1 1 5   9  10 o 376.2561 7.605134  ?              ?        
1 1 1 5   9  11 o 128.9946 4.088562  ?              ?        
1 1 1 5   9  12 o 62.86461 3.401535  2.780804       6.803069 
1 1 1 5   9  13 o 136.7880 2.658064  5.985352       5.316129 
1 1 1 5   9  14 o 86.08148 2.526753  0.1850281      5.053505 
1 1 1 5   9  15 o 150.4418 2.971657  ?              ?        
1 1 1 5   9  16 o 20.36784 4.579586  -4.810078      9.159172 
1 1 1 5   9  17 o 36.23627 3.426123  -0.4503822     6.852245 
1 1 1 5   9  18 o 56.28614 2.852830  11.22881       5.705660 
1 1 1 5   9  19 o 184.2441 3.458393  4.941956       6.916785 
1 1 1 5   9  20 o 38.55914 4.557699  11.96133       9.115398 
1 1 1 5   9  21 o 56.38165 3.123119  13.58441       6.246237 
1 1 1 5   9  22 o 126.1706 3.082133  -0.4659271     6.164265 
1 1 1 5   9  23 o 53.15395 3.666827  -3.516621      7.333654 
1 1 1 5   9  24 o 146.5410 3.019270  10.02248       6.038540 
1 1 1 5   9  25 o 35.73086 4.815192  9.540247       9.630383 
1 1 1 5   9  26 o 99.97745 3.055075  -6.146912      6.110149 
1 1 1 5   9  27 o 77.54975 5.530936  ?              ?        
1 1 1 5   9  28 x ?        ?         ?              ?        
1 1 1 5   9  29 o 25.85356 4.176295  -16.63497      8.352591 
1 1 1 5   9  30 o 32.53999 4.062217  -19.45773      8.124434 
1 1 1 5   9  31 o 17.40682 4.469022  -7.418942      8.938044 
1 1 1 5   9  32 o 56.51505 3.641646  -44.16526      7.283293 
1 1 1 5   10 0  o 277.9323 5.868255  ?              ?        
1 1 1 5   10 1  o 147.4650 3.962063  ?              ?        
1 1 1 5   10 2  o 206.0281 4.760248  ?              ?        
1 1 1 5   10 3  o 90.81581 3.571386  ?              ?        
1 1 1 5   10 4  o 138.2840 2.772829  ?              ?        
1 1 1 5   10 5  o 359.4182 5.119547  ?              ?        
1 1 1 5   10 6  o 176.6354 3.078032  ?              ?        
1 1 1 5   10 7  o 88.07949 3.882013  ?              ?        
1 1 1 5   10 8  o 123.6550 4.149266  ?              ?        
1 1 1 5   10 9  o 125.2742 4.204661  ?              ?        
1 1 1 5   10 10 o 208.2207 5.031199  ?              ?        
1 1 1 5   10 11 o 194.0764 4.918065  ?              ?        
1 1 1 5   10 12 o 229.9144 5.407844  ?              ?        
1 1 1 5   10 13 o 134.4383 3.051806  4.331055       6.103611 
1 1 1 5   10 14 o 64.62282 2.883575  -0.5629196     5.767149 
1 1 1 5   10 15 o 142.9816 2.710697  1.754684       5.421393 
1 1 1 5   10 16 o 122.2503 2.607087  1.065880       5.214175 
1 1 1 5   10 17 o 97.77693 2.999964  9.200684       5.999928 
1 1 1 5   10 18 o 82.12558 2.723679  14.64754       5.447357 
1 1 1 5   10 19 o 86.88225 2.745740  1.917595       5.491479 
1 1 1 5   10 20 o 21.98913 5.171058  2.599098       10.34212 
1 1 1 5   10 21 o 59.93095 3.307264  1.194836       6.614527 
1 1 1 5   10 22 o 35.37372 5.229734  -15.66184      10.45947 
1 1 1 5   10 23 o 114.9965 3.157083  0.2540512      6.314167 
1 1 1 5   10 24 o 67.26057 3.449220  -4.835541      6.898440 
1 1 1 5   10 25 o 55.74669 3.738574  -5.179131      7.477147 
1 1 1 5   10 26 x ?        ?         ?              ?        
1 1 1 5   10 27 o 61.22924 3.096263  -9.068611      6.192527 
1 1 1 5   10 28 f 51.89599 5.639869  ?              ?        
1 1 1 5   10 29 o 49.94855 5.122086  ?              ?        
1 1 1 5   10 30 o 14.66971 4.401290  -5.781798      8.802581 
1 1 1 5   10 31 o 45.09529 3.921370  -25.59058      7.842740 
1 1 1 5   10 32 o 47.27893 3.416550  -33.58874      6.833099 
1 1 1 5   11 0  o 194.1325 4.700396  ?              ?        
1 1 1 5   11 1  o 284.2284 4.277543  -5.632782      8.555085 
1 1 1 5   11 2  o 286.6063 6.091530  ?              ?        
1 1 1 5   11 3  o 141.7719 4.072945  ?              ?        
1 1 1 5   11 4  o 206.6209 3.438578  ?              ?        
1 1 1 5   11 5  o 160.3801 3.044086  ?              ?        
1 1 1 5   11 6  o 99.83327 2.778060  ?              ?        
1 1 1 5   11 7  o 222.0003 3.648458  ?              ?        
1 1 1 5   11 8  o 194.9327 4.949689  ?              ?        
1 1 1 5   11 9  o 31.14651 7.857121  ?              ?        
1 1 1 5   11 10 o 78.81312 4.696228  ?              ?        
1 1 1 5   11 11 o 64.23415 3.420198  5.978294       6.840396 
1 1 1 5   11 12 o 330.2822 4.950333  1.909088       9.900665 
1 1 1 5   11 13 o 85.63396 3.097671  -2.611961      6.195342 
1 1 1 5   11 14 o 202.7370 3.624648  15.79266       7.249296 
1 1 1 5   11 15 o 133.7167 4.467501  ?              ?        
1 1 1 5   11 16 o 107.0240 2.638514  -1.836365      5.277029 
1 1 1 5   11 17 o 212.4133 3.287879  3.207596       6.575757 
1 1 1 5   11 18 o 176.8431 3.023641  0.3899994      6.047281 
1 1 1 5   11 19 o 109.4034 2.871297  15.20403       5.742593 
1 1 1 5   11 20 o 42.25696 4.670262  7.253162       9.340525 
1 1 1 5   11 21 o 50.56254 4.828193  -19.34774      9.656386 
1 1 1 5   11 22 o 51.80155 4.861648  -21.34977      9.723296 
1 1 1 5   11 23 o 90.81982 3.224900  -3.934471      6.449800 
1 1 1 5   11 24 o 84.52357 2.769757  ?              ?        
1 1 1 5   11 25 f 25.26938 4.705795  -11.05963      9.411590 
1 1 1 5   11 26 o 70.02528 3.240672  1.836784       6.481344 
1 1 1 5   11 27 f 28.27343 3.817995  -24.72213      7.635990 
1 1 1 5   11 28 o 56.15506 3.265888  -12.41044      6.531777 
1 1 1 5   11 29 o 42.22922 3.473512  -12.35161      6.947024 
1 1 1 5   11 30 o 19.23620 6.626651  ?              ?        
1 1 1 5   11 31 o 30.89968 6.005804  ?              ?        
1 1 1 5   12 0  o 107.1484 2.816873  -3.309532      5.633747 
1 1 1 5   12 1  o 121.3027 4.110635  ?              ?        
1 1 1 5   12 2  o 129.2737 4.188542  ?              ?        
1 1 1 5   12 3  o 42.82471 5.662552  ?              ?        
1 1 1 5   12 4  o 230.4809 3.756270  ?              ?        
1 1 1 5   12 5  o 287.9893 4.371934  ?              ?        
1 1 1 5   12 6  o 125.1051 2.977726  ?              ?        
1 1 1 5   12 7  o 178.2811 3.321857  ?              ?        
1 1 1 5   12 8  o 135.2847 4.515975  ?              ?        
1 1 1 5   12 9  o 294.5774 6.469961  ?              ?        
1 1 1 5   12 10 o 177.3203 4.819969  ?              ?        
1 1 1 5   12 11 o 61.15788 4.752793  ?              ?        
1 1 1 5   12 12 o 50.62266 3.693128  7.157955       7.386256 
1 1 1 5   12 13 o 30.95607 5.295661  4.629021       10.59132 
1 1 1 5   12 14 o 122.1031 3.143241  2.493088       6.286482 
1 1 1 5   12 15 o 169.9349 3.016898  9.103210       6.033796 
1 1 1 5   12 16 o 62.20070 3.047871  0.1082153      6.095742 
1 1 1 5   12 17 o 115.4027 2.821300  2.357552       5.642600 
1 1 1 5   12 18 o 194.6377 3.655709  7.394791       7.311418 
1 1 1 5   12 19 o 113.6854 3.285654  -1.908684      6.571308 
1 1 1 5   12 20 o 233.9062 4.197208  3.025238       8.394416 
1 1 1 5   12 21 o 73.62057 3.369555  1.253418       6.739109 
1 1 1 5   12 22 o 11.81160 5.460607  ?              ?        
1 1 1 5   12 23 o 74.46725 3.488006  5.588478       6.976011 
1 1 1 5   12 24 o 49.71426 3.957044  18.50260       7.914089 
1 1 1 5   12 25 o 11.56584 4.010082  4.653438       8.020164 
1 1 1 5   12 26 o 18.27181 4.622090  -3.424538      9.244181 
1 1 1 5   12 27 o 46.95457 3.982155  6.228100       7.964310 
1 1 1 5   12 28 o 46.27241 3.326061  -7.039391      6.652123 
1 1 1 5   12 29 o 25.08570 6.215500  ?              ?        
1 1 1 5   12 30 o 30.84668 6.180920  ?              ?        
1 1 1 5   12 31 f 58.31756 3.636063  -41.74175      7.272126 
1 1 1 5   13 0  o 250.1806 5.735010  ?              ?        
1 1 1 5   13 1  o 144.5121 4.516355  ?              ?        
1 1 1 5   13 2  x ?        ?         ?              ?        
1 1 1 5   13 3  o 213.9355 3.669231  ?              ?        
1 1 1 5   13 4  f 85.87556 3.164594  ?              ?        
1 1 1 5   13 5  o 171.3061 3.317318  ?              ?        
1 1 1 5   13 6  o 248.8587 4.047405  ?              ?        
1 1 1 5   13 7  o 215.4962 3.728746  ?              ?        
1 1 1 5   13 8  o 339.0999 5.039338  ?              ?        
1 1 1 5   13 9  o 153.5308 4.680674  ?              ?        
1 1 1 5   13 10 o 167.1967 4.824063  ?              ?        
1 1 1 5   13 11 o 31.75581 7.804692  ?              ?        
1 1 1 5   13 12 o 94.59942 4.538892  ?              ?        
1 1 1 5   13 13 o 168.2753 3.442602  -1.265472      6.885205 
1 1 1 5   13 14 o 93.70491 3.210077  -0.9527893     6.420154 
1 1 1 5   13 15 o 113.7173 4.595913  ?              ?        
1 1 1 5   13 16 o 111.7382 3.364454  -7.385475      6.728909 
1 1 1 5   13 17 o 230.0980 3.538910  -0.9246674     7.077819 
1 1 1 5   13 18 o 145.3514 3.029325  -0.8255463     6.058650 
1 1 1 5   13 19 o 71.98763 3.604410  ?              ?        
1 1 1 5   13 20 o 67.25951 3.835760  ?              ?        
1 1 1 5   13 21 o 120.8586 3.141134  2.928307       6.282268 
1 1 1 5   13 22 o 98.62761 3.317564  -1.603447      6.635129 
1 1 1 5   13 23 o 12.27421 4.127429  -0.3074217     8.254858 
1 1 1 5   13 24 o 38.03561 5.154027  -9.999439      10.30805 
1 1 1 5   13 25 o 52.00671 4.759659  -19.83589      9.519318 
1 1 1 5   13 26 o 18.90730 4.945888  1.754215       9.891776 
1 1 1 5   13 27 o 72.40884 3.092378  -14.77273      6.184756 
1 1 1 5   13 28 o 25.96894 3.660341  -20.21512      7.320682 
1 1 1 5   13 29 o 24.74430 4.011976  -25.68251      8.023952 
1 1 1 5   13 30 o 19.77690 6.454599  ?              ?        
1 1 1 5   14 0  o 158.5571 4.723009  ?              ?        
1 1 1 5   14 1  o 36.54952 7.860958  ?              ?        
1 1 1 5   14 2  x ?        ?         ?              ?        
1 1 1 5   14 3  o 192.7698 3.538464  ?              ?        
1 1 1 5   14 4  o 165.4513 3.351418  ?              ?        
1 1 1 5   14 5  o 193.7678 3.576959  ?              ?        
1 1 1 5   14 6  o 178.6657 3.446553  ?              ?        
1 1 1 5   14 7  o 99.44141 3.108505  ?              ?        
1 1 1 5   14 8  o 113.4550 3.127356  ?              ?        
1 1 1 5   14 9  o 124.7330 4.573247  ?              ?        
1 1 1 5   14 10 x ?        ?         ?              ?        
1 1 1 5   14 11 x ?        ?         ?              ?        
1 1 1 5   14 12 x ?        ?         ?              ?        
1 1 1 5   14 13 o 93.10347 4.595051  ?              ?        
1 1 1 5   14 14 o 166.9900 3.539558  10.36206       7.079116 
1 1 1 5   14 15 o 23.36076 5.769771  -7.895599      11.53954 
1 1 1 5   14 16 o 122.9653 3.456479  ?              ?        
1 1 1 5   14 17 o 43.56372 5.124668  ?              ?        
1 1 1 5   14 18 o 130.5356 3.148889  4.076065       6.297778 
1 1 1 5   14 19 o 109.8319 3.255174  -8.338600      6.510349 
1 1 1 5   14 20 o 89.13249 3.308769  5.894173       6.617537 
1 1 1 5   14 21 o 40.65210 5.443636  -12.58289      10.88727 
1 1 1 5   14 22 o 33.10964 6.032129  -14.79501      12.06426 
1 1 1 5   14 23 o 72.25327 4.185997  -15.19975      8.371993 
1 1 1 5   14 24 o 25.95313 5.452649  2.431175       10.90530 
1 1 1 5   14 25 o 25.25199 5.180126  -2.829067      10.36025 
1 1 1 5   14 26 o 74.03300 3.095259  8.470512       6.190519 
1 1 1 5   14 27 o 15.46715 4.442972  -5.870498      8.885943 
1 1 1 5   14 28 o 20.07710 6.918465  ?              ?        
1 1 1 5   14 29 o 14.82125 4.109264  5.889935       8.218528 
1 1 1 5   14 30 o 38.34425 3.753166  ?              ?        
1 1 1 5   15 0  x ?        ?         ?              ?        
1 1 1 5   15 1  o 125.9381 4.640436  ?              ?        
1 1 1 5   15 2  o 148.9929 4.932298  ?              ?        
1 1 1 5   15 3  o 72.34703 3.499630  ?              ?        
1 1 1 5   15 4  o 177.8786 3.487927  ?              ?        
1 1 1 5   15 5  o 214.0479 3.824077  ?              ?        
1 1 1 5   15 6  o 95.68464 3.200848  ?              ?        
1 1 1 5   15 7  o 73.15920 3.309624  ?              ?        
1 1 1 5   15 8  o 226.4851 3.936211  ?              ?        
1 1 1 5   15 9  o 189.7470 3.616200  ?              ?        
1 1 1 5   15 10 o 247.2849 5.922402  ?              ?        
1 1 1 5   15 11 o 47.94406 5.578529  ?              ?        
1 1 1 5   15 12 o 77.54278 4.954110  ?              ?        
1 1 1 5   15 13 o 28.38654 8.280373  ?              ?        
1 1 1 5   15 14 o 102.4808 4.859452  ?              ?        
1 1 1 5   15 15 o 81.03399 3.556118  -3.743561      7.112236 
1 1 1 5   15 16 o 56.64093 4.641188  23.52420       9.282376 
1 1 1 5   15 17 o 81.44688 3.364808  17.31903       6.729616 
1 1 1 5   15 18 o 63.01927 3.832170  12.86312       7.664340 
1 1 1 5   15 19 o 30.20678 6.256327  16.88289       12.51265 
1 1 1 5   15 20 o 76.41916 4.261068  10.20267       8.522137 
1 1 1 5   15 21 o 80.93915 3.564984  0.1415482      7.129968 
1 1 1 5   15 22 o 66.21621 3.673445  7.381683       7.346889 
1 1 1 5   15 23 o 36.32220 5.263242  -15.13357      10.52648 
1 1 1 5   15 24 o 61.54449 3.596293  4.547493       7.192586 
1 1 1 5   15 25 o 45.17318 4.194460  1.330818       8.388920 
1 1 1 5   15 26 f 55.94754 3.171412  -10.08132      6.342824 
1 1 1 5   15 27 o 37.62893 3.979496  -20.45489      7.958992 
1 1 1 5   15 28 o 56.23521 3.053807  ?              ?        
1 1 1 5   15 29 o 30.17994 3.991312  -12.45328      7.982625 
1 1 1 5   16 0  o 326.3719 7.126328  ?              ?        
1 1 1 5   16 1  o 81.66161 4.758410  ?              ?        
1 1 1 5   16 2  x ?        ?         ?              ?        
1 1 1 5   16 3  o 92.15282 3.230107  ?              ?        
1 1 1 5   16 4  f 121.1473 3.219975  ?              ?        
1 1 1 5   16 5  o 93.81753 3.241711  ?              ?        
1 1 1 5   16 6  o 125.8109 3.270603  ?              ?        
1 1 1 5   16 7  f 165.2000 3.479998  ?              ?        
1 1 1 5   16 8  o 134.0622 3.281930  ?              ?        
1 1 1 5   16 9  o 145.7371 3.371186  ?              ?        
1 1 1 5   16 10 o 114.3644 4.896574  ?              ?        
1 1 1 5   16 11 o 140.4707 5.009167  ?              ?        
1 1 1 5   16 12 o 119.6935 5.004263  ?              ?        
1 1 1 5   16 13 o 89.51350 5.155951  ?              ?        
1 1 1 5   16 14 o 110.4358 4.991829  ?              ?        
1 1 1 5   16 15 f 64.54073 6.153636  ?              ?        
1 1 1 5   16 16 o 79.63098 3.963521  -5.346313      7.927042 
1 1 1 5   16 17 f 79.23036 3.607898  -12.10463      7.215796 
1 1 1 5   16 18 o 21.67688 5.905310  13.12062       11.81062 
1 1 1 5   16 19 o 71.48494 4.277775  -3.901543      8.555550 
1 1 1 5   16 20 o 21.44860 5.747205  0.2343979      11.49441 
1 1 1 5   16 21 o 60.71744 3.980343  -4.464863      7.960686 
1 1 1 5   16 22 o 19.50728 5.748594  8.193309       11.49719 
1 1 1 5   16 23 o 59.31288 3.777028  -15.72522      7.554055 
1 1 1 5   16 24 o 20.32509 5.196822  6.894184       10.39364 
1 1 1 5   16 25 o 15.60682 5.882236  ?              ?        
1 1 1 5   16 26 o 30.71479 4.067118  -10.53032      8.134235 
1 1 1 5   16 27 o 23.64868 4.144138  -8.628910      8.288277 
1 1 1 5   16 28 f 12.87782 3.983209  3.450419       7.966419 
1 1 1 5   17 0  o 61.77844 4.966550  ?              ?        
1 1 1 5   17 1  o 111.7758 4.693027  ?              ?        
1 1 1 5   17 2  o 134.6093 3.354840  ?              ?        
1 1 1 5   17 3  o 220.0688 3.933424  ?              ?        
1 1 1 5   17 4  o 48.75275 3.957508  ?              ?        
1 1 1 5   17 5  o 71.57584 3.420276  ?              ?        
1 1 1 5   17 6  o 42.17685 4.500538  ?              ?        
1 1 1 5   17 7  o 111.8877 3.272438  ?              ?        
1 1 1 5   17 8  o 38.49900 4.720592  ?              ?        
1 1 1 5   17 9  o 177.3742 3.642898  ?              ?        
1 1 1 5   17 10 f 31.26860 5.723254  ?              ?        
1 1 1 5   17 11 o 60.79423 6.376256  ?              ?        
1 1 1 5   17 12 o 39.25994 8.253374  ?              ?        
1 1 1 5   17 13 o 67.24006 6.030810  ?              ?        
1 1 1 5   17 14 o 38.70908 8.633117  ?              ?        
1 1 1 5   17 15 o 87.72350 5.644596  ?              ?        
1 1 1 5   17 16 o 68.12925 6.309364  ?              ?        
1 1 1 5   17 17 o 68.86870 4.547815  8.262970       9.095631 
1 1 1 5   17 18 o 139.3343 3.398863  0.6599274      6.797726 
1 1 1 5   17 19 o 20.99469 6.205147  -2.984087      12.41029 
1 1 1 5   17 20 o 69.54315 3.834907  -4.594810      7.669815 
1 1 1 5   17 21 o 27.68145 5.588900  -7.637720      11.17780 
1 1 1 5   17 22 o 55.08138 3.972980  -10.70086      7.945959 
1 1 1 5   17 23 o 42.19339 4.320804  ?              ?        
1 1 1 5   17 24 o 28.68767 4.584184  -10.70420      9.168367 
1 1 1 5   17 25 o 39.48838 3.956478  -17.64342      7.912955 
1 1 1 5   17 26 o 13.60708 4.012911  4.762664       8.025823 
1 1 1 5   17 27 o 14.39524 3.855531  14.34669       7.711062 
1 1 1 5   18 0  o 55.22288 5.464516  ?              ?        
1 1 1 5   18 1  o 99.70480 3.310176  ?              ?        
1 1 1 5   18 2  o 85.82980 3.383357  ?              ?        
1 1 1 5   18 3  o 18.84080 6.504600  ?              ?        
1 1 1 5   18 4  o 75.54243 3.528933  ?              ?        
1 1 1 5   18 5  o 167.6038 3.752214  ?              ?        
1 1 1 5   18 6  o 132.4907 3.444831  ?              ?        
1 1 1 5   18 7  o 191.9658 3.798958  ?              ?        
1 1 1 5   18 8  o 142.2130 3.512656  ?              ?        
1 1 1 5   18 9  o 97.14323 3.533568  ?              ?        
1 1 1 5   18 10 o 75.02908 3.816771  ?              ?        
1 1 1 5   18 11 o 66.32570 3.879988  ?              ?        
1 1 1 5   18 12 o 180.1248 5.653421  ?              ?        
1 1 1 5   18 13 o 59.37448 6.577803  ?              ?        
1 1 1 5   18 14 o 103.6275 5.507792  ?              ?        
1 1 1 5   18 15 x ?        ?         ?              ?        
1 1 1 5   18 16 x ?        ?         ?              ?        
1 1 1 5   18 17 o 67.88450 7.040440  ?              ?        
1 1 1 5   18 18 o 64.38423 4.641270  ?              ?        
1 1 1 5   18 19 o 110.1324 3.845973  ?              ?        
1 1 1 5   18 20 o 75.11061 3.796830  ?              ?        
1 1 1 5   18 21 o 30.37895 5.463783  -2.825045      10.92757 
1 1 1 5   18 22 o 45.65026 4.433650  -4.726456      8.867300 
1 1 1 5   18 23 f 13.83085 4.271769  -0.5201559     8.543537 
1 1 1 5   18 24 o 33.30123 4.255508  -2.961143      8.511017 
1 1 1 5   18 25 o 19.70529 3.983409  -10.45900      7.966817 
1 1 1 5   18 26 o 14.35849 4.228021  4.055229       8.456041 
1 1 1 5   18 27 o 19.16951 4.541608  11.45249       9.083217 
1 1 1 5   19 0  o 109.1021 4.885674  ?              ?        
1 1 1 5   19 1  o 106.4072 3.509843  ?              ?        
1 1 1 5   19 2  o 93.44379 3.502594  ?              ?        
1 1 1 5   19 3  o 102.1134 3.445287  ?              ?        
1 1 1 5   19 4  o 64.15260 3.801165  ?              ?        
1 1 1 5   19 5  o 63.95808 5.529795  ?              ?        
1 1 1 5   19 6  o 68.53447 3.816489  ?              ?        
1 1 1 5   19 7  o 146.3273 3.651847  ?              ?        
1 1 1 5   19 8  o 27.38621 8.504457  ?              ?        
1 1 1 5   19 9  o 23.65244 8.372994  ?              ?        
1 1 1 5   19 10 o 66.62947 5.471369  ?              ?        
1 1 1 5   19 11 o 181.3530 4.063933  ?              ?        
1 1 1 5   19 12 o 132.3470 3.774366  ?              ?        
1 1 1 5   19 13 o 23.31316 9.309772  ?              ?        
1 1 1 5   19 14 o 94.16230 5.801394  ?              ?        
1 1 1 5   19 15 o 36.94328 9.774021  ?              ?        
1 1 1 5   19 16 o 72.92307 6.596507  ?              ?        
1 1 1 5   19 17 o 71.42004 6.350776  ?              ?        
1 1 1 5   19 18 o 30.09493 9.561547  ?              ?        
1 1 1 5   19 19 o 34.52195 6.217046  ?              ?        
1 1 1 5   19 20 o 18.02104 6.673071  ?              ?        
1 1 1 5   19 21 o 17.35429 4.778868  -3.575079      9.557736 
1 1 1 5   19 22 o 43.48135 3.915481  3.876862       7.830961 
1 1 1 5   19 23 o 31.38782 4.390328  12.49601       8.780656 
1 1 1 5   19 24 o 16.42697 4.565746  7.384211       9.131492 
1 1 1 5   19 25 o 28.10997 4.320807  -7.444542      8.641613 
1 1 1 5   19 26 o 9.441906 3.225724  3.279698       6.451449 
1 1 1 5   20 0  o 68.59574 5.361190  ?              ?        
1 1 1 5   20 1  o 67.89626 5.504865  ?              ?        
1 1 1 5   20 2  o 53.44979 5.735417  ?              ?        
1 1 1 5   20 3  o 71.97250 5.660175  ?              ?        
1 1 1 5   20 4  o 23.56863 7.092135  ?              ?        
1 1 1 5   20 5  o 103.5717 5.133488  ?              ?        
1 1 1 5   20 6  o 73.82665 3.946334  ?              ?        
1 1 1 5   20 7  o 51.84566 4.733562  ?              ?        
1 1 1 5   20 8  o 56.42926 4.677510  ?              ?        
1 1 1 5   20 9  o 12.84492 5.991930  ?              ?        
1 1 1 5   20 10 o 123.2900 5.543414  ?              ?        
1 1 1 5   20 11 o 61.70199 6.953485  ?              ?        
1 1 1 5   20 12 o 62.37968 6.894782  ?              ?        
1 1 1 5   20 13 o 63.98797 7.078288  ?              ?        
1 1 1 5   20 14 o 21.51707 9.053840  ?              ?        
1 1 1 5   20 15 o 56.01792 7.810071  ?              ?        
1 1 1 5   20 16 o 108.9583 5.718816  ?              ?        
1 1 1 5   20 17 f 80.13179 5.917984  ?              ?        
1 1 1 5   20 18 o 77.04369 5.825441  ?              ?        
1 1 1 5   20 19 o 23.72458 8.243024  ?              ?        
1 1 1 5   20 20 f 33.11517 5.096891  ?              ?        
1 1 1 5   20 21 o 21.46099 6.578671  ?              ?        
1 1 1 5   20 22 o 19.58052 6.368883  ?              ?        
1 1 1 5   20 23 o 38.94450 4.122725  -15.69561      8.245450 
1 1 1 5   20 24 f 34.07562 4.920388  14.66440       9.840775 
1 1 1 5   20 25 o 39.68595 3.827205  -7.425873      7.654409 
1 1 1 5   21 0  o 39.91701 5.644357  ?              ?        
1 1 1 5   21 1  o 80.58516 4.201715  ?              ?        
1 1 1 5   21 2  o 83.56497 3.914762  ?              ?        
1 1 1 5   21 3  o 113.3991 3.804143  ?              ?        
1 1 1 5   21 4  o 109.6297 3.821881  ?              ?        
1 1 1 5   21 5  o 101.9792 5.390265  ?              ?        
1 1 1 5   21 6  o 86.97253 3.986156  ?              ?        
1 1 1 5   21 7  o 42.44104 5.694414  ?              ?        
1 1 1 5   21 8  o 42.18193 5.746844  ?              ?        
1 1 1 5   21 9  o 17.95101 7.213859  ?              ?        
1 1 1 5   21 10 o 48.64434 5.267294  ?              ?        
1 1 1 5   21 11 o 119.0658 3.885159  ?              ?        
1 1 1 5   21 12 o 49.81106 5.032641  ?              ?        
1 1 1 5   21 13 f 42.11780 5.365932  ?              ?        
1 1 1 5   21 14 o 35.81614 6.916802  ?              ?        
1 1 1 5   21 15 o 51.11065 7.716336  ?              ?        
1 1 1 5   21 16 o 64.41682 6.455371  ?              ?        
1 1 1 5   21 17 o 74.07083 5.491953  ?              ?        
1 1 1 5   21 18 o 14.39828 6.589365  ?              ?        
1 1 1 5   21 19 o 14.47408 6.457470  ?              ?        
1 1 1 5   21 20 o 44.82222 4.397933  ?              ?        
1 1 1 5   21 21 o 22.61567 7.875465  ?              ?        
1 1 1 5   21 22 o 30.13538 4.925439  ?              ?        
1 1 1 5   21 23 o 23.09842 5.674592  ?              ?        
1 1 1 5   22 0  o 13.34993 6.179893  ?              ?        
1 1 1 5   22 1  o 98.83038 3.989090  ?              ?        
1 1 1 5   22 2  o 118.5765 3.898368  ?              ?        
1 1 1 5   22 3  o 91.87910 3.974633  ?              ?        
1 1 1 5   22 4  o 84.00610 4.233859  ?              ?        
1 1 1 5   22 5  o 49.42654 7.258692  ?              ?        
1 1 1 5   22 6  o 45.99855 5.533694  ?              ?        
1 1 1 5   22 7  o 37.23530 6.792384  ?              ?        
1 1 1 5   22 8  o 38.59245 6.254559  ?              ?        
1 1 1 5   22 9  o 68.63536 4.579381  ?              ?        
1 1 1 5   22 10 o 82.19484 4.089152  ?              ?        
1 1 1 5   22 11 o 43.36834 5.406606  ?              ?        
1 1 1 5   22 12 o 47.34235 4.924294  ?              ?        
1 1 1 5   22 13 o 62.69701 4.269130  ?              ?        
1 1 1 5   22 14 o 88.03578 3.875903  ?              ?        
1 1 1 5   22 15 o 45.06226 4.740346  ?              ?        
1 1 1 5   22 16 o 29.24375 8.925620  ?              ?        
1 1 1 5   22 17 x ?        ?         ?              ?        
1 1 1 5   22 18 x ?        ?         ?              ?        
1 1 1 5   22 19 o 51.00769 4.804369  ?              ?        
1 1 1 5   22 20 o 17.14346 6.261174  ?              ?        
1 1 1 5   22 21 o 28.73481 7.984076  ?              ?        
1 1 1 5   22 22 o 27.73823 5.005304  ?              ?        
1 1 1 5   23 0  o 140.1737 4.027537  ?              ?        
1 1 1 5   23 1  o 66.77735 4.573898  ?              ?        
1 1 1 5   23 2  o 130.9129 4.044773  ?              ?        
1 1 1 5   23 3  o 84.07610 4.412371  ?              ?        
1 1 1 5   23 4  o 129.6195 4.066186  ?              ?        
1 1 1 5   23 5  o 67.49239 6.720182  ?              ?        
1 1 1 5   23 6  o 59.21936 4.890273  ?              ?        
1 1 1 5   23 7  o 55.09689 4.946364  ?              ?        
1 1 1 5   23 8  o 101.6676 3.987264  ?              ?        
1 1 1 5   23 9  o 64.83973 4.487701  ?              ?        
1 1 1 5   23 10 o 59.31635 4.495457  ?              ?        
1 1 1 5   23 11 o 20.63266 7.353419  ?              ?        
1 1 1 5   23 12 o 72.47724 5.523179  ?              ?        
1 1 1 5   23 13 o 27.50589 9.112398  ?              ?        
1 1 1 5   23 14 o 27.66114 6.871631  ?              ?        
1 1 1 5   23 15 o 50.07770 3.911041  ?              ?        
1 1 1 5   23 16 o 30.38907 4.925668  ?              ?        
1 1 1 5   23 17 o 22.23697 7.059488  ?              ?        
1 1 1 5   23 18 o 21.91665 6.888132  ?              ?        
1 1 1 5   23 19 o 17.66197 6.830528  ?              ?        
1 1 1 5   23 20 o 43.36509 4.017831  ?              ?        
1 1 1 5   23 21 f 45.93886 4.122851  ?              ?        
1 1 1 5   24 0  o 57.41118 6.870318  ?              ?        
1 1 1 5   24 1  o 29.22590 9.843335  ?              ?        
1 1 1 5   24 2  o 17.36191 7.905176  ?              ?        
1 1 1 5   24 3  o 94.27147 6.015106  ?              ?        
1 1 1 5   24 4  o 97.43234 6.188355  ?              ?        
1 1 1 5   24 5  o 44.56288 8.729661  ?              ?        
1 1 1 5   24 6  o 36.85517 6.776114  ?              ?        
1 1 1 5   24 7  o 40.63236 5.683276  ?              ?        
1 1 1 5   24 8  o 102.5794 3.817332  ?              ?        
1 1 1 5   24 9  o 30.08628 6.754838  ?              ?        
1 1 1 5   24 10 o 17.47877 6.729320  ?              ?        
1 1 1 5   24 11 o 92.64689 3.703522  ?              ?        
1 1 1 5   24 12 o 26.20741 6.841070  ?              ?        
1 1 1 5   24 13 o 32.48795 5.169299  ?              ?        
1 1 1 5   24 14 o 52.89288 5.394281  ?              ?        
1 1 1 5   24 15 o 46.31195 4.948792  ?              ?        
1 1 1 5   24 16 o 51.71095 4.935662  ?              ?        
1 1 1 5   24 17 o 9.403183 4.466774  ?              ?        
1 1 1 5   24 18 o 18.21227 6.926448  ?              ?        
1 1 1 5   24 19 o 13.24965 5.752516  ?              ?        
1 1 1 5   25 0  o 42.11964 8.380193  ?              ?        
1 1 1 5   25 1  o 50.30080 5.142815  ?              ?        
1 1 1 5   25 2  o 19.46862 7.546174  ?              ?        
1 1 1 5   25 3  o 86.70901 4.088024  ?              ?        
1 1 1 5   25 4  o 52.29197 5.018740  ?              ?        
1 1 1 5   25 5  o 28.14134 8.946943  ?              ?        
1 1 1 5   25 6  o 35.57258 5.916852  ?              ?        
1 1 1 5   25 7  o 28.47364 6.455937  ?              ?        
1 1 1 5   25 8  o 48.06628 4.403948  ?              ?        
1 1 1 5   25 9  o 18.84658 6.724526  ?              ?        
1 1 1 5   25 10 o 42.06070 4.589448  ?              ?        
1 1 1 5   25 11 o 35.07249 4.724766  ?              ?        
1 1 1 5   25 12 o 12.88228 5.621086  ?              ?        
1 1 1 5   25 13 f 33.60070 4.379908  ?              ?        
1 1 1 5   25 14 o 61.16609 3.340753  ?              ?        
1 1 1 5   25 15 o 30.65587 4.349125  ?              ?        
1 1 1 5   25 16 o 11.31561 4.969702  ?              ?        
1 1 1 5   25 17 o 12.04678 5.153369  ?              ?        
1 1 1 5   25 18 o 19.07835 5.725060  ?              ?        
1 1 1 5   26 0  o 52.19793 6.516868  ?              ?        
1 1 1 5   26 1  o 50.23178 4.429345  ?              ?        
1 1 1 5   26 2  o 70.54099 3.871277  ?              ?        
1 1 1 5   26 3  o 18.70921 6.785381  ?              ?        
1 1 1 5   26 4  o 12.27765 5.674356  ?              ?        
1 1 1 5   26 5  o 37.36969 8.146569  ?              ?        
1 1 1 5   26 6  o 17.96878 6.686407  ?              ?        
1 1 1 5   26 7  o 12.95710 5.726012  ?              ?        
1 1 1 5   26 8  o 21.54908 6.421520  ?              ?        
1 1 1 5   26 9  o 27.11067 5.737154  ?              ?        
1 1 1 5   26 10 o 9.241412 4.349041  ?              ?        
1 1 1 5   26 11 f 17.58592 5.572439  ?              ?        
1 1 1 5   26 12 o 15.94237 5.612205  ?              ?        
1 1 1 5   26 13 o 14.50919 5.536566  ?              ?        
1 1 1 5   26 14 o 13.35341 5.387372  ?              ?        
1 1 1 5   26 15 o 13.42795 5.348825  ?              ?        
1 1 1 5   26 16 o 25.57124 7.381596  ?              ?        
1 1 1 5   27 0  o 50.94168 4.327466  ?              ?        
1 1 1 5   27 1  o 59.01022 4.128611  ?              ?        
1 1 1 5   27 2  o 32.88831 5.252254  ?              ?        
1 1 1 5   27 3  f 36.09003 4.899951  ?              ?        
1 1 1 5   27 4  o 33.02399 5.137089  ?              ?        
1 1 1 5   27 5  o 59.62416 4.960324  ?              ?        
1 1 1 5   27 6  o 14.53107 5.713179  ?              ?        
1 1 1 5   27 7  o 27.80051 4.427283  ?              ?        
1 1 1 5   27 8  o 8.319909 3.997333  ?              ?        
1 1 1 5   27 9  o 20.29416 5.604546  ?              ?        
1 1 1 5   27 10 o 17.40845 6.522124  ?              ?        
1 1 1 5   27 11 o 23.02586 6.661849  ?              ?        
1 1 1 5   27 12 o 20.50196 6.795379  ?              ?        
1 1 1 5   27 13 f 37.33135 5.633836  ?              ?        
1 1 1 5   28 0  o 35.51323 5.740527  ?              ?        
1 1 1 5   28 1  o 30.64664 6.093581  ?              ?        
1 1 1 5   28 2  o 29.76558 6.505577  ?              ?        
1 1 1 5   28 3  o 38.77118 5.470322  ?              ?        
1 1 1 5   28 4  o 43.61440 5.056722  ?              ?        
1 1 1 5   28 5  f 25.03086 7.334812  ?              ?        
1 1 1 5   28 6  o 25.29729 7.204131  ?              ?        
1 1 1 5   28 7  o 15.69843 6.525706  ?              ?        
1 1 1 5   28 8  f 36.05333 5.555494  ?              ?        
1 1 1 5   28 9  o 15.23228 6.368443  ?              ?        
1 1 1 5   28 10 o 10.90412 5.055346  ?              ?        
1 1 1 5   29 0  x ?        ?         ?              ?        
1 1 1 5   29 1  x ?        ?         ?              ?        
1 1 1 5   29 2  x ?        ?         ?              ?        
1 1 1 5   29 3  x ?        ?         ?              ?        
1 1 1 5   29 4  x ?        ?         ?              ?        
1 1 1 5   29 5  x ?        ?         ?              ?        
1 1 1 5   29 6  x ?        ?         ?              ?        
1 1 1 5   29 7  x ?        ?         ?              ?        
1 1 1 6   0  0  o 237.2781 3.197870  -0.000000      0.000000 
1 1 1 6   0  1  o 184.2041 2.514985  -0.000000      0.000000 
1 1 1 6   0  2  x ?        ?         ?              ?        
1 1 1 6   0  3  x ?        ?         ?              ?        
1 1 1 6   0  4  o 70.94288 1.544597  -0.000000      0.000000 
1 1 1 6   0  5  x ?        ?         ?              ?        
1 1 1 6   0  6  x ?        ?         ?              ?        
1 1 1 6   0  7  x ?        ?         ?              ?        
1 1 1 6   0  8  o 292.3898 5.558307  -0.000000      0.000000 
1 1 1 6   0  9  x ?        ?         ?              ?        
1 1 1 6   0  10 x ?        ?         ?              ?        
1 1 1 6   0  11 f 548.7391 7.303481  -0.000000      0.000000 
1 1 1 6   0  12 o 143.5510 2.152775  -0.000000      0.000000 
1 1 1 6   0  13 o 13.57563 4.644364  -0.000000      0.000000 
1 1 1 6   0  14 o 270.5765 3.733491  -0.000000      0.000000 
1 1 1 6   0  15 o 38.26434 3.987305  -0.000000      0.000000 
1 1 1 6   0  16 o 9.813645 5.209573  -0.000000      0.000000 
1 1 1 6   0  17 o 93.39433 1.897743  -0.000000      0.000000 
1 1 1 6   0  18 o 64.35815 1.943034  -0.000000      0.000000 
1 1 1 6   0  19 o 173.4257 2.718592  -0.000000      0.000000 
1 1 1 6   0  20 o 51.00848 2.150140  -0.000000      0.000000 
1 1 1 6   0  21 o 165.5292 2.740132  -0.000000      0.000000 
1 1 1 6   0  22 o 54.08937 2.466423  -0.000000      0.000000 
1 1 1 6   0  23 o 42.52478 2.973829  -0.000000      0.000000 
1 1 1 6   0  24 o 10.16987 6.113282  -0.000000      0.000000 
1 1 1 6   0  25 o 146.4269 4.315095  -0.000000      0.000000 
1 1 1 6   0  26 f 59.73383 2.997882  -0.000000      0.000000 
1 1 1 6   0  27 o 27.42402 5.687266  -0.000000      0.000000 
1 1 1 6   0  28 o 58.99820 2.945690  -0.000000      0.000000 
1 1 1 6   0  29 o 115.0043 2.703444  -0.000000      0.000000 
1 1 1 6   0  30 o 7.856867 5.116783  -0.000000      0.000000 
1 1 1 6   0  31 o 24.60360 4.888029  -0.000000      0.000000 
1 1 1 6   0  32 o 21.86110 5.008639  -0.000000      0.000000 
1 1 1 6   0  33 o 37.58113 3.370719  -0.000000      0.000000 
1 1 1 6   1  0  o 161.7850 2.280366  ?              ?        
1 1 1 6   1  1  o 481.7940 6.404250  ?              ?        
1 1 1 6   1  2  o 298.3602 2.851038  -13.46198      5.702075 
1 1 1 6   1  3  o 116.4555 1.491223  -1.893036      2.982445 
1 1 1 6   1  4  o 121.1833 1.494011  -5.768639      2.988022 
1 1 1 6   1  5  x ?        ?         ?              ?        
1 1 1 6   1  6  o 142.5224 2.876047  ?              ?        
1 1 1 6   1  7  o 87.69378 1.996475  ?              ?        
1 1 1 6   1  8  o 83.04622 1.392061  -7.847572      2.784122 
1 1 1 6   1  9  o 191.1115 2.270502  -7.530899      4.541003 
1 1 1 6   1  10 o 131.7023 1.394693  -4.693161      2.789387 
1 1 1 6   1  11 o 214.9784 2.112412  -0.2299957     4.224825 
1 1 1 6   1  12 o 383.8207 3.649220  3.255951       7.298440 
1 1 1 6   1  13 o 65.52074 1.167174  4.273277       2.334348 
1 1 1 6   1  14 o 278.3302 3.327898  4.200806       6.655797 
1 1 1 6   1  15 o 120.2710 1.902149  4.265503       3.804299 
1 1 1 6   1  16 o 196.3919 2.036630  0.9081573      4.073259 
1 1 1 6   1  17 o 155.1911 2.089631  -4.082214      4.179262 
1 1 1 6   1  18 o 110.7692 1.670733  0.1211777      3.341466 
1 1 1 6   1  19 o 69.96332 1.391798  -0.9335556     2.783596 
1 1 1 6   1  20 o 161.3823 1.863444  2.603348       3.726888 
1 1 1 6   1  21 o 102.5237 1.563930  1.476532       3.127861 
1 1 1 6   1  22 o 19.75827 3.341694  3.280285       6.683388 
1 1 1 6   1  23 o 175.1806 2.086884  3.674774       4.173768 
1 1 1 6   1  24 o 110.6621 1.774913  1.935593       3.549825 
1 1 1 6   1  25 o 87.21532 2.942931  -2.552475      5.885862 
1 1 1 6   1  26 o 25.00828 4.003433  0.3389359E-01  8.006866 
1 1 1 6   1  27 o 71.40663 2.405551  -1.395706      4.811101 
1 1 1 6   1  28 o 31.62155 3.373583  -5.011566      6.747166 
1 1 1 6   1  29 o 15.29500 3.961967  2.240359       7.923934 
1 1 1 6   1  30 o 70.74113 1.845713  -5.155411      3.691425 
1 1 1 6   1  31 o 45.35178 2.091272  3.945004       4.182544 
1 1 1 6   1  32 o 20.19600 3.389336  -6.270586      6.778671 
1 1 1 6   1  33 o 33.93967 3.632480  ?              ?        
1 1 1 6   2  0  o 459.0225 4.362755  -14.62363      8.725511 
1 1 1 6   2  1  o 79.01569 1.134758  -5.741653      2.269516 
1 1 1 6   2  2  o 163.3074 2.041020  -6.677353      4.082039 
1 1 1 6   2  3  o 135.5869 1.722034  -9.590698      3.444069 
1 1 1 6   2  4  o 105.0043 1.633154  -3.467850      3.266308 
1 1 1 6   2  5  o 13.23569 2.776568  ?              ?        
1 1 1 6   2  6  o 166.8215 2.359464  ?              ?        
1 1 1 6   2  7  o 180.6591 2.533294  ?              ?        
1 1 1 6   2  8  o 197.7410 2.735529  ?              ?        
1 1 1 6   2  9  o 52.99097 1.205416  -1.087475      2.410833 
1 1 1 6   2  10 f 363.3359 4.146700  -18.89395      8.293401 
1 1 1 6   2  11 o 265.6069 3.127182  -12.32117      6.254364 
1 1 1 6   2  12 o 170.3039 2.221052  -0.7886963     4.442104 
1 1 1 6   2  13 o 317.5446 3.745366  0.6537476      7.490733 
1 1 1 6   2  14 o 163.3704 1.796672  -5.141800      3.593344 
1 1 1 6   2  15 o 242.3671 3.021466  -2.391907      6.042933 
1 1 1 6   2  16 o 203.9556 2.681091  7.514465       5.362182 
1 1 1 6   2  17 o 187.0310 2.009687  -0.3699341     4.019375 
1 1 1 6   2  18 o 160.8393 2.772354  ?              ?        
1 1 1 6   2  19 o 109.6808 1.559043  -0.5207901     3.118087 
1 1 1 6   2  20 o 114.4283 1.605954  2.079277       3.211909 
1 1 1 6   2  21 o 49.46327 1.713223  3.150879       3.426445 
1 1 1 6   2  22 o 53.09992 1.841349  -6.400124      3.682698 
1 1 1 6   2  23 o 55.16731 1.926143  -6.300213      3.852285 
1 1 1 6   2  24 o 154.0715 2.528208  -0.6902161     5.056415 
1 1 1 6   2  25 o 114.9063 2.484238  -1.335854      4.968476 
1 1 1 6   2  26 o 118.6753 1.949926  3.134949       3.899852 
1 1 1 6   2  27 o 68.17644 2.135129  -7.489594      4.270259 
1 1 1 6   2  28 o 36.49095 3.043450  -7.978558      6.086900 
1 1 1 6   2  29 o 63.70836 2.014516  -11.85785      4.029031 
1 1 1 6   2  30 o 18.68800 3.579672  -8.156892      7.159343 
1 1 1 6   2  31 o 47.32538 3.280422  ?              ?        
1 1 1 6   2  32 o 11.17389 3.333135  -2.221927      6.666271 
1 1 1 6   2  33 o 24.45080 4.976201  ?              ?        
1 1 1 6   3  0  o 111.1751 1.691639  -1.801117      3.383278 
1 1 1 6   3  1  o 255.6982 3.099279  -1.184326      6.198559 
1 1 1 6   3  2  o 88.32498 2.378822  ?              ?        
1 1 1 6   3  3  o 183.7822 2.657938  -10.77429      5.315875 
1 1 1 6   3  4  o 11.27519 2.608536  0.3334999      5.217073 
1 1 1 6   3  5  o 54.20481 1.843189  ?              ?        
1 1 1 6   3  6  o 64.79855 1.428940  ?              ?        
1 1 1 6   3  7  o 190.7498 2.725606  ?              ?        
1 1 1 6   3  8  o 218.9565 3.104011  ?              ?        
1 1 1 6   3  9  o 290.6655 3.361683  -21.84818      6.723367 
1 1 1 6   3  10 o 332.1514 3.852477  -15.93964      7.704954 
1 1 1 6   3  11 o 141.3410 1.980866  -5.689056      3.961732 
1 1 1 6   3  12 o 132.0193 2.141457  -4.555832      4.282914 
1 1 1 6   3  13 o 74.89867 1.800692  -4.929230      3.601385 
1 1 1 6   3  14 f 74.80019 1.841997  -3.371124      3.683995 
1 1 1 6   3  15 o 37.71165 1.891814  ?              ?        
1 1 1 6   3  16 o 129.2094 1.654206  -2.321518      3.308412 
1 1 1 6   3  17 o 78.01828 1.801218  -5.959244      3.602436 
1 1 1 6   3  18 o 65.56808 1.597273  -5.037647      3.194545 
1 1 1 6   3  19 f 109.5111 1.607847  4.648499       3.215694 
1 1 1 6   3  20 o 94.88778 1.811482  -2.244812      3.622963 
1 1 1 6   3  21 o 22.77205 3.306728  -3.843822      6.613455 
1 1 1 6   3  22 o 83.19040 1.720641  -1.272079      3.441283 
1 1 1 6   3  23 o 57.66493 2.480196  5.634037       4.960392 
1 1 1 6   3  24 o 118.7617 1.894240  0.2260208      3.788481 
1 1 1 6   3  25 o 55.09356 3.073570  -1.507908      6.147141 
1 1 1 6   3  26 o 74.04111 2.679703  1.723808       5.359406 
1 1 1 6   3  27 o 42.53347 2.848572  -3.221230      5.697144 
1 1 1 6   3  28 o 97.19305 1.949695  -13.90031      3.899391 
1 1 1 6   3  29 o 52.17019 2.120873  -7.495018      4.241747 
1 1 1 6   3  30 o 21.00907 3.465713  -7.483204      6.931426 
1 1 1 6   3  31 o 38.36384 3.626040  ?              ?        
1 1 1 6   3  32 o 46.32062 3.156601  ?              ?        
1 1 1 6   3  33 o 53.24268 2.501069  -4.230778      5.002139 
1 1 1 6   4  0  o 173.7243 2.728149  3.379471       5.456298 
1 1 1 6   4  1  o 115.1637 2.878089  ?              ?        
1 1 1 6   4  2  x ?        ?         ?              ?        
1 1 1 6   4  3  o 300.4853 4.152542  -10.97333      8.305083 
1 1 1 6   4  4  o 185.6563 2.707317  3.181885       5.414634 
1 1 1 6   4  5  o 214.5693 4.318260  ?              ?        
1 1 1 6   4  6  o 205.2223 2.962357  ?              ?        
1 1 1 6   4  7  o 213.4264 4.286408  ?              ?        
1 1 1 6   4  8  x ?        ?         ?              ?        
1 1 1 6   4  9  o 237.3287 3.417627  -9.989456      6.835254 
1 1 1 6   4  10 o 384.2646 4.505231  -9.446228      9.010463 
1 1 1 6   4  11 o 378.9106 4.428379  -13.69348      8.856758 
1 1 1 6   4  12 o 213.8898 2.782028  0.5596619      5.564055 
1 1 1 6   4  13 o 146.5705 2.303136  ?              ?        
1 1 1 6   4  14 o 120.5806 2.090135  3.512413       4.180270 
1 1 1 6   4  15 o 154.9010 2.312395  2.438370       4.624791 
1 1 1 6   4  16 o 140.3877 2.565947  -0.2304840     5.131894 
1 1 1 6   4  17 o 173.5581 2.481563  -6.360611      4.963125 
1 1 1 6   4  18 o 60.96565 2.160588  5.037716       4.321177 
1 1 1 6   4  19 o 65.21744 2.136915  -2.346230      4.273830 
1 1 1 6   4  20 o 86.13931 2.366443  0.6273117      4.732886 
1 1 1 6   4  21 o 67.14255 1.870468  -5.217934      3.740937 
1 1 1 6   4  22 o 96.40874 2.072474  0.9706345      4.144948 
1 1 1 6   4  23 o 93.65947 1.873833  0.6618729      3.747666 
1 1 1 6   4  24 o 144.8673 2.674081  2.477676       5.348162 
1 1 1 6   4  25 f 24.53290 5.066801  23.77192       10.13360 
1 1 1 6   4  26 o 30.80691 3.994192  -13.03896      7.988383 
1 1 1 6   4  27 o 30.62485 3.825088  -8.258923      7.650176 
1 1 1 6   4  28 o 44.19025 2.618856  -5.166012      5.237713 
1 1 1 6   4  29 o 43.04470 2.455196  -4.379463      4.910392 
1 1 1 6   4  30 o 40.95279 2.369917  -6.182102      4.739834 
1 1 1 6   4  31 o 30.53551 2.773541  -2.339813      5.547082 
1 1 1 6   4  32 o 64.99496 2.981045  ?              ?        
1 1 1 6   4  33 o 12.98193 3.477884  -7.855097      6.955767 
1 1 1 6   5  0  o 82.57144 1.927318  2.720886       3.854637 
1 1 1 6   5  1  f 191.4441 2.898423  9.626114       5.796846 
1 1 1 6   5  2  x ?        ?         ?              ?        
1 1 1 6   5  3  o 208.8739 4.328148  ?              ?        
1 1 1 6   5  4  x ?        ?         ?              ?        
1 1 1 6   5  5  o 212.4906 3.144040  ?              ?        
1 1 1 6   5  6  o 316.2293 4.381049  ?              ?        
1 1 1 6   5  7  o 226.2730 3.282075  ?              ?        
1 1 1 6   5  8  o 170.7527 3.851139  ?              ?        
1 1 1 6   5  9  o 36.73881 3.752114  ?              ?        
1 1 1 6   5  10 x ?        ?         ?              ?        
1 1 1 6   5  11 o 333.0862 4.639596  ?              ?        
1 1 1 6   5  12 o 205.7531 2.755935  0.5590668      5.511871 
1 1 1 6   5  13 o 228.0925 2.980551  -0.9994507     5.961102 
1 1 1 6   5  14 f 129.2663 2.580576  5.127258       5.161151 
1 1 1 6   5  15 o 95.12537 2.502841  6.214584       5.005682 
1 1 1 6   5  16 o 82.01062 2.131218  1.905251       4.262436 
1 1 1 6   5  17 o 147.5891 2.346153  -4.168732      4.692307 
1 1 1 6   5  18 o 34.31695 3.005077  4.196026       6.010153 
1 1 1 6   5  19 o 101.9298 2.160227  -7.315880      4.320453 
1 1 1 6   5  20 f 80.13301 2.532491  3.056717       5.064981 
1 1 1 6   5  21 o 165.5139 2.899852  5.715652       5.799704 
1 1 1 6   5  22 o 94.14943 2.426032  2.626968       4.852064 
1 1 1 6   5  23 o 74.90368 2.584453  8.341995       5.168907 
1 1 1 6   5  24 o 43.27864 2.694091  ?              ?        
1 1 1 6   5  25 f 104.0026 2.645173  5.731949       5.290347 
1 1 1 6   5  26 o 29.07430 4.722875  -13.37244      9.445750 
1 1 1 6   5  27 o 49.76092 3.508623  1.646564       7.017245 
1 1 1 6   5  28 o 77.80025 5.076410  ?              ?        
1 1 1 6   5  29 o 42.99622 4.089663  -20.54197      8.179325 
1 1 1 6   5  30 o 18.47641 4.464447  10.64621       8.928895 
1 1 1 6   5  31 o 30.36882 3.839911  -8.760752      7.679822 
1 1 1 6   5  32 o 12.46258 3.943187  -0.3553371     7.886374 
1 1 1 6   5  33 o 42.16177 4.729989  ?              ?        
1 1 1 6   6  0  o 197.3627 3.035435  -8.998688      6.070870 
1 1 1 6   6  1  o 149.9109 3.545326  ?              ?        
1 1 1 6   6  2  o 92.20599 2.864140  ?              ?        
1 1 1 6   6  3  o 159.6406 2.566433  -5.748932      5.132866 
1 1 1 6   6  4  o 303.5178 6.013149  ?              ?        
1 1 1 6   6  5  o 92.72590 2.032726  ?              ?        
1 1 1 6   6  6  o 228.6590 3.364064  ?              ?        
1 1 1 6   6  7  o 262.5059 3.774240  ?              ?        
1 1 1 6   6  8  o 38.52778 3.771706  ?              ?        
1 1 1 6   6  9  o 162.2811 3.911454  ?              ?        
1 1 1 6   6  10 o 385.6014 5.355298  2.534729       10.71060 
1 1 1 6   6  11 o 364.6636 5.109950  4.008728       10.21990 
1 1 1 6   6  12 o 178.5110 3.001648  0.5512238      6.003296 
1 1 1 6   6  13 o 20.18363 4.527792  -2.837914      9.055584 
1 1 1 6   6  14 o 71.09285 2.268996  4.580925       4.537993 
1 1 1 6   6  15 o 70.47421 2.256588  -3.251717      4.513175 
1 1 1 6   6  16 o 90.97792 2.219667  -0.5840759     4.439334 
1 1 1 6   6  17 o 97.41872 2.172213  2.940773       4.344426 
1 1 1 6   6  18 o 93.13232 2.179945  -5.762680      4.359890 
1 1 1 6   6  19 o 38.22142 3.086697  0.9939384      6.173393 
1 1 1 6   6  20 o 101.1672 2.380706  11.08202       4.761413 
1 1 1 6   6  21 o 137.5285 2.564485  1.819778       5.128970 
1 1 1 6   6  22 o 83.61722 1.911720  ?              ?        
1 1 1 6   6  23 o 72.30865 2.862401  5.464577       5.724803 
1 1 1 6   6  24 o 52.71405 3.336889  4.247578       6.673777 
1 1 1 6   6  25 o 112.7632 2.660669  -6.270233      5.321338 
1 1 1 6   6  26 o 97.88992 2.951679  -0.1171112     5.903358 
1 1 1 6   6  27 o 53.57201 3.436423  -3.727158      6.872846 
1 1 1 6   6  28 o 64.19350 5.364252  ?              ?        
1 1 1 6   6  29 o 12.50944 3.989168  0.8704844      7.978336 
1 1 1 6   6  30 o 24.78429 5.182878  -4.847857      10.36576 
1 1 1 6   6  31 o 29.53848 6.210950  ?              ?        
1 1 1 6   6  32 f 40.86287 4.721306  ?              ?        
1 1 1 6   6  33 o 24.38658 8.007335  ?              ?        
1 1 1 6   7  0  o 124.2693 2.348480  -5.409431      4.696961 
1 1 1 6   7  1  o 99.91388 2.174087  -4.842125      4.348174 
1 1 1 6   7  2  o 321.5566 4.533355  2.032166       9.066710 
1 1 1 6   7  3  o 72.51985 2.041580  -7.705101      4.083160 
1 1 1 6   7  4  o 175.8322 3.992532  ?              ?        
1 1 1 6   7  5  o 261.1938 3.799623  ?              ?        
1 1 1 6   7  6  o 154.4953 2.618649  ?              ?        
1 1 1 6   7  7  o 236.1185 3.516655  ?              ?        
1 1 1 6   7  8  o 158.4297 3.945890  ?              ?        
1 1 1 6   7  9  o 178.4648 4.239222  ?              ?        
1 1 1 6   7  10 o 221.1518 4.880872  ?              ?        
1 1 1 6   7  11 o 107.7454 2.603408  5.215912       5.206816 
1 1 1 6   7  12 o 182.2826 2.703225  2.570618       5.406450 
1 1 1 6   7  13 o 156.0667 2.522022  -4.496323      5.044044 
1 1 1 6   7  14 o 113.3049 2.329591  1.680992       4.659182 
1 1 1 6   7  15 o 254.9901 3.357097  -4.957031      6.714194 
1 1 1 6   7  16 o 42.10943 3.129209  -4.997185      6.258417 
1 1 1 6   7  17 o 190.0910 3.156569  4.797180       6.313138 
1 1 1 6   7  18 o 67.88077 2.359370  -0.8534698     4.718741 
1 1 1 6   7  19 o 56.89529 2.629109  3.061287       5.258217 
1 1 1 6   7  20 o 122.5735 2.532304  7.974403       5.064609 
1 1 1 6   7  21 o 94.17690 2.087590  ?              ?        
1 1 1 6   7  22 o 38.47710 4.329025  -4.826248      8.658050 
1 1 1 6   7  23 o 164.3221 2.898584  4.106522       5.797169 
1 1 1 6   7  24 o 44.44150 4.687553  -2.324688      9.375107 
1 1 1 6   7  25 o 92.06120 2.883228  -3.471092      5.766456 
1 1 1 6   7  26 o 26.89325 4.095510  -20.17788      8.191020 
1 1 1 6   7  27 o 21.36116 4.986471  14.89486       9.972941 
1 1 1 6   7  28 o 47.96801 3.563463  -2.121067      7.126926 
1 1 1 6   7  29 f 23.95848 5.151150  -7.086609      10.30230 
1 1 1 6   7  30 o 22.87650 3.965535  -14.68470      7.931069 
1 1 1 6   7  31 o 29.98659 3.400412  -34.68890      6.800823 
1 1 1 6   7  32 o 16.24280 6.175681  ?              ?        
1 1 1 6   8  0  o 272.4142 4.006442  15.57349       8.012884 
1 1 1 6   8  1  o 72.08015 2.200532  1.277824       4.401064 
1 1 1 6   8  2  o 130.3117 2.483511  -1.514618      4.967022 
1 1 1 6   8  3  o 255.3203 3.772609  -2.215515      7.545217 
1 1 1 6   8  4  o 164.7848 3.946733  ?              ?        
1 1 1 6   8  5  o 384.3671 5.348181  ?              ?        
1 1 1 6   8  6  x ?        ?         ?              ?        
1 1 1 6   8  7  o 285.7808 4.153663  ?              ?        
1 1 1 6   8  8  o 366.0113 7.318192  ?              ?        
1 1 1 6   8  9  o 96.27173 3.701190  ?              ?        
1 1 1 6   8  10 o 117.7859 3.850649  ?              ?        
1 1 1 6   8  11 o 22.93373 5.322985  0.6513863      10.64597 
1 1 1 6   8  12 f 160.7691 3.024861  -0.1085815     6.049721 
1 1 1 6   8  13 o 19.87228 4.795358  -4.651911      9.590716 
1 1 1 6   8  14 o 166.8638 3.048020  5.884995       6.096040 
1 1 1 6   8  15 o 111.7801 2.693508  -2.483551      5.387017 
1 1 1 6   8  16 o 116.0604 2.430726  5.562431       4.861452 
1 1 1 6   8  17 o 73.81271 2.430239  4.566292       4.860479 
1 1 1 6   8  18 o 88.47112 2.399536  ?              ?        
1 1 1 6   8  19 o 95.54439 2.372894  ?              ?        
1 1 1 6   8  20 o 86.29486 2.602160  -3.056946      5.204319 
1 1 1 6   8  21 o 159.9355 2.834944  -0.8137512     5.669887 
1 1 1 6   8  22 o 114.4090 2.695273  2.649345       5.390546 
1 1 1 6   8  23 o 63.33482 3.693194  -13.14140      7.386387 
1 1 1 6   8  24 o 43.20374 4.323401  2.645538       8.646802 
1 1 1 6   8  25 o 61.17853 3.369651  -5.858555      6.739302 
1 1 1 6   8  26 o 38.52046 4.677149  -9.662933      9.354298 
1 1 1 6   8  27 o 22.84566 4.686582  -5.482481      9.373163 
1 1 1 6   8  28 o 72.29190 3.239441  -27.11288      6.478882 
1 1 1 6   8  29 o 52.06144 5.658422  ?              ?        
1 1 1 6   8  30 o 21.85707 6.045812  ?              ?        
1 1 1 6   8  31 o 35.45270 3.771465  -15.20546      7.542931 
1 1 1 6   8  32 o 35.66973 3.750883  -22.55486      7.501765 
1 1 1 6   9  0  o 259.0012 3.895423  10.11142       7.790845 
1 1 1 6   9  1  o 189.0482 3.119262  8.574097       6.238523 
1 1 1 6   9  2  o 37.88766 2.803482  -0.3726997     5.606965 
1 1 1 6   9  3  o 64.05674 3.414706  ?              ?        
1 1 1 6   9  4  o 160.4134 3.998268  ?              ?        
1 1 1 6   9  5  o 189.4876 3.137338  ?              ?        
1 1 1 6   9  6  o 160.1703 2.876194  ?              ?        
1 1 1 6   9  7  o 360.5906 5.105402  ?              ?        
1 1 1 6   9  8  o 309.2838 4.496523  ?              ?        
1 1 1 6   9  9  o 476.1243 9.376851  ?              ?        
1 1 1 6   9  10 x ?        ?         ?              ?        
1 1 1 6   9  11 x ?        ?         ?              ?        
1 1 1 6   9  12 o 180.7368 3.277763  10.82863       6.555526 
1 1 1 6   9  13 o 184.9243 2.819192  -9.873703      5.638385 
1 1 1 6   9  14 o 191.1519 2.911601  -2.618393      5.823202 
1 1 1 6   9  15 o 80.80505 2.528073  -3.031242      5.056146 
1 1 1 6   9  16 o 170.8669 3.123769  ?              ?        
1 1 1 6   9  17 o 79.75423 2.548328  -0.1963043     5.096655 
1 1 1 6   9  18 o 25.34820 4.558188  5.195402       9.116376 
1 1 1 6   9  19 o 137.7367 2.682182  0.2871399      5.364363 
1 1 1 6   9  20 o 20.84761 5.053834  6.519787       10.10767 
1 1 1 6   9  21 o 95.77525 3.216665  4.789345       6.433329 
1 1 1 6   9  22 o 92.60808 2.801602  -0.8991241E-01 5.603205 
1 1 1 6   9  23 o 125.0391 2.842643  -3.672974      5.685287 
1 1 1 6   9  24 o 65.03553 3.286927  2.188946       6.573853 
1 1 1 6   9  25 o 97.20932 2.899257  -3.798935      5.798515 
1 1 1 6   9  26 o 28.13604 4.887856  -2.997473      9.775711 
1 1 1 6   9  27 o 25.47991 4.095753  -15.15514      8.191505 
1 1 1 6   9  28 o 34.57324 4.326657  -20.08105      8.653314 
1 1 1 6   9  29 o 21.53066 6.281083  ?              ?        
1 1 1 6   9  30 o 14.74590 6.175024  ?              ?        
1 1 1 6   9  31 o 39.67941 3.705096  -25.38046      7.410193 
1 1 1 6   9  32 o 14.14740 4.238941  -3.019351      8.477881 
1 1 1 6   10 0  o 230.4801 5.145010  ?              ?        
1 1 1 6   10 1  o 350.9741 7.101717  ?              ?        
1 1 1 6   10 2  o 231.7148 5.126914  ?              ?        
1 1 1 6   10 3  o 216.8419 4.925515  ?              ?        
1 1 1 6   10 4  o 259.1825 5.573114  ?              ?        
1 1 1 6   10 5  o 300.6286 4.417070  ?              ?        
1 1 1 6   10 6  o 206.8903 3.400778  ?              ?        
1 1 1 6   10 7  o 113.3594 2.727111  ?              ?        
1 1 1 6   10 8  o 235.2861 3.735872  ?              ?        
1 1 1 6   10 9  o 300.2426 6.403230  ?              ?        
1 1 1 6   10 10 o 123.0442 4.247218  ?              ?        
1 1 1 6   10 11 o 261.2813 5.815566  ?              ?        
1 1 1 6   10 12 o 133.9069 4.241507  ?              ?        
1 1 1 6   10 13 o 170.7311 4.598912  ?              ?        
1 1 1 6   10 14 o 194.9520 3.058509  6.152740       6.117019 
1 1 1 6   10 15 o 65.36226 2.803420  -2.258629      5.606840 
1 1 1 6   10 16 o 184.5079 2.943766  -6.087570      5.887531 
1 1 1 6   10 17 o 128.8124 2.627565  -7.083229      5.255131 
1 1 1 6   10 18 o 134.5589 3.130252  -4.600647      6.260504 
1 1 1 6   10 19 o 89.55948 3.168373  -9.314568      6.336747 
1 1 1 6   10 20 o 142.7967 2.843441  -1.243973      5.686881 
1 1 1 6   10 21 o 125.5379 2.886775  -5.517998      5.773549 
1 1 1 6   10 22 o 114.4848 2.897456  -6.150322      5.794913 
1 1 1 6   10 23 o 141.6525 3.023936  2.939377       6.047872 
1 1 1 6   10 24 o 133.3918 3.162328  0.6743774      6.324656 
1 1 1 6   10 25 o 27.66711 5.199934  13.33537       10.39987 
1 1 1 6   10 26 o 69.43164 3.093702  2.992378       6.187404 
1 1 1 6   10 27 x ?        ?         ?              ?        
1 1 1 6   10 28 o 17.87638 4.806987  1.695377       9.613974 
1 1 1 6   10 29 o 23.62824 4.599149  4.872168       9.198298 
1 1 1 6   10 30 o 42.72668 4.880529  ?              ?        
1 1 1 6   10 31 o 29.24961 6.082795  ?              ?        
1 1 1 6   11 0  o 322.0797 6.691309  ?              ?        
1 1 1 6   11 1  o 220.7343 3.669911  1.219955       7.339823 
1 1 1 6   11 2  o 164.3038 4.373524  ?              ?        
1 1 1 6   11 3  o 162.6012 4.302936  ?              ?        
1 1 1 6   11 4  o 186.7960 4.595960  ?              ?        
1 1 1 6   11 5  o 63.71834 2.994357  ?              ?        
1 1 1 6   11 6  f 340.6872 4.953840  ?              ?        
1 1 1 6   11 7  o 168.5106 3.174086  ?              ?        
1 1 1 6   11 8  o 92.84307 2.924675  ?              ?        
1 1 1 6   11 9  o 226.0227 5.399297  ?              ?        
1 1 1 6   11 10 o 129.9160 4.393543  ?              ?        
1 1 1 6   11 11 o 86.86571 4.349082  ?              ?        
1 1 1 6   11 12 o 198.2512 4.964153  ?              ?        
1 1 1 6   11 13 o 162.7304 3.282213  9.238129       6.564426 
1 1 1 6   11 14 o 179.1217 3.411645  0.9146118      6.823290 
1 1 1 6   11 15 o 45.52839 3.893794  -6.575523      7.787588 
1 1 1 6   11 16 o 147.6923 2.828421  0.2181854      5.656841 
1 1 1 6   11 17 f 106.3422 2.689756  -2.049896      5.379513 
1 1 1 6   11 18 o 109.1346 2.754770  -3.522057      5.509540 
1 1 1 6   11 19 o 99.82010 3.277573  2.705338       6.555147 
1 1 1 6   11 20 o 162.1653 3.000249  -11.35240      6.000498 
1 1 1 6   11 21 o 36.61164 4.886010  -3.282196      9.772020 
1 1 1 6   11 22 o 73.18973 3.553891  -2.753143      7.107783 
1 1 1 6   11 23 o 138.2022 3.082279  0.8003082      6.164558 
1 1 1 6   11 24 o 32.30990 5.254347  11.05496       10.50869 
1 1 1 6   11 25 o 48.78147 3.038746  ?              ?        
1 1 1 6   11 26 o 50.95576 3.521114  -3.791004      7.042228 
1 1 1 6   11 27 o 17.40907 4.468323  -0.4892330     8.936646 
1 1 1 6   11 28 o 54.48681 5.171857  ?              ?        
1 1 1 6   11 29 f 18.09047 6.613846  ?              ?        
1 1 1 6   11 30 o 26.61216 4.752615  -4.646236      9.505230 
1 1 1 6   11 31 o 30.73965 4.468322  -11.07905      8.936644 
1 1 1 6   12 0  o 237.6187 3.861880  7.078461       7.723759 
1 1 1 6   12 1  x ?        ?         ?              ?        
1 1 1 6   12 2  o 288.3690 6.236662  ?              ?        
1 1 1 6   12 3  o 109.1748 4.178987  ?              ?        
1 1 1 6   12 4  o 73.51733 3.192008  ?              ?        
1 1 1 6   12 5  o 125.6031 2.973501  ?              ?        
1 1 1 6   12 6  o 201.4117 3.501952  ?              ?        
1 1 1 6   12 7  o 79.66004 3.147972  ?              ?        
1 1 1 6   12 8  o 130.4822 3.041665  ?              ?        
1 1 1 6   12 9  o 235.4809 3.877455  ?              ?        
1 1 1 6   12 10 o 94.51803 4.445330  ?              ?        
1 1 1 6   12 11 o 191.9566 5.005744  ?              ?        
1 1 1 6   12 12 o 155.0263 4.602335  ?              ?        
1 1 1 6   12 13 o 75.68426 4.584184  ?              ?        
1 1 1 6   12 14 o 63.17099 3.464080  0.6942177      6.928160 
1 1 1 6   12 15 o 80.23283 2.878286  15.71210       5.756573 
1 1 1 6   12 16 o 44.46471 3.574463  -3.476444      7.148926 
1 1 1 6   12 17 o 218.8168 3.413177  5.835968       6.826355 
1 1 1 6   12 18 f 107.2921 2.901871  -1.441101      5.803741 
1 1 1 6   12 19 f 167.3675 3.544304  1.210754       7.088608 
1 1 1 6   12 20 o 29.76416 6.029391  1.822601       12.05878 
1 1 1 6   12 21 o 98.87244 3.165673  3.995033       6.331347 
1 1 1 6   12 22 o 78.13388 3.386180  3.458176       6.772360 
1 1 1 6   12 23 o 110.0099 3.024799  ?              ?        
1 1 1 6   12 24 o 32.35222 4.904763  -15.96829      9.809525 
1 1 1 6   12 25 o 69.04166 3.451191  -19.84380      6.902382 
1 1 1 6   12 26 o 30.91072 4.305412  -20.84544      8.610825 
1 1 1 6   12 27 o 35.47598 4.136384  -9.164034      8.272769 
1 1 1 6   12 28 o 11.40177 3.596651  -2.446792      7.193302 
1 1 1 6   12 29 o 21.67834 4.431785  10.20934       8.863569 
1 1 1 6   12 30 o 25.15008 3.545444  -24.68994      7.090889 
1 1 1 6   13 0  o 134.2567 3.146803  1.056442       6.293605 
1 1 1 6   13 1  x ?        ?         ?              ?        
1 1 1 6   13 2  o 208.9845 5.147800  ?              ?        
1 1 1 6   13 3  o 168.2187 4.716400  ?              ?        
1 1 1 6   13 4  o 58.61606 3.603627  ?              ?        
1 1 1 6   13 5  o 244.4742 3.994092  ?              ?        
1 1 1 6   13 6  o 212.2930 3.701606  ?              ?        
1 1 1 6   13 7  o 23.44831 6.679774  ?              ?        
1 1 1 6   13 8  o 70.15845 3.272873  ?              ?        
1 1 1 6   13 9  o 191.8070 3.531710  ?              ?        
1 1 1 6   13 10 o 118.3561 4.580222  ?              ?        
1 1 1 6   13 11 o 118.4749 4.507752  ?              ?        
1 1 1 6   13 12 o 198.4915 5.221263  ?              ?        
1 1 1 6   13 13 o 173.0615 4.938028  ?              ?        
1 1 1 6   13 14 o 137.2952 4.680503  ?              ?        
1 1 1 6   13 15 f 100.3569 3.319618  -1.319641      6.639236 
1 1 1 6   13 16 o 57.53829 3.957721  -10.34481      7.915441 
1 1 1 6   13 17 f 39.80968 4.563816  -10.10174      9.127631 
1 1 1 6   13 18 o 76.77969 3.155003  -3.722992      6.310007 
1 1 1 6   13 19 o 53.65009 3.977209  -2.757355      7.954419 
1 1 1 6   13 20 o 116.9359 3.370202  ?              ?        
1 1 1 6   13 21 o 101.9500 3.331298  -4.389915      6.662597 
1 1 1 6   13 22 o 59.24242 3.781414  6.084900       7.562829 
1 1 1 6   13 23 o 47.02605 4.619044  -7.525658      9.238089 
1 1 1 6   13 24 o 37.25761 4.881404  -1.990570      9.762808 
1 1 1 6   13 25 o 24.62893 8.841653  ?              ?        
1 1 1 6   13 26 o 34.57609 5.059597  -13.34144      10.11919 
1 1 1 6   13 27 o 15.23098 4.571623  -1.356784      9.143246 
1 1 1 6   13 28 o 37.94042 3.438566  -20.18067      6.877131 
1 1 1 6   13 29 o 24.37300 3.815809  -17.92519      7.631619 
1 1 1 6   13 30 o 18.29656 5.008667  -3.532448      10.01733 
1 1 1 6   14 0  o 194.1982 3.588811  -5.099640      7.177623 
1 1 1 6   14 1  o 310.8729 6.767517  ?              ?        
1 1 1 6   14 2  o 150.3495 4.690292  ?              ?        
1 1 1 6   14 3  o 90.64088 4.541226  ?              ?        
1 1 1 6   14 4  f 160.2663 3.332952  ?              ?        
1 1 1 6   14 5  o 229.8491 3.890529  ?              ?        
1 1 1 6   14 6  o 242.8242 4.040998  ?              ?        
1 1 1 6   14 7  o 17.78146 6.523022  ?              ?        
1 1 1 6   14 8  f 125.1681 3.175137  ?              ?        
1 1 1 6   14 9  o 177.5949 3.471729  ?              ?        
1 1 1 6   14 10 o 104.6177 4.253767  ?              ?        
1 1 1 6   14 11 x ?        ?         ?              ?        
1 1 1 6   14 12 x ?        ?         ?              ?        
1 1 1 6   14 13 o 111.9479 4.759321  ?              ?        
1 1 1 6   14 14 o 164.5343 5.011776  ?              ?        
1 1 1 6   14 15 o 55.76539 6.078119  ?              ?        
1 1 1 6   14 16 o 36.46582 5.595315  1.042595       11.19063 
1 1 1 6   14 17 o 67.12604 4.161981  ?              ?        
1 1 1 6   14 18 o 100.3694 3.217280  0.9842834      6.434561 
1 1 1 6   14 19 o 44.05739 4.919091  -6.498623      9.838182 
1 1 1 6   14 20 f 70.70988 3.594927  3.708054       7.189854 
1 1 1 6   14 21 o 21.08681 5.847059  10.51175       11.69412 
1 1 1 6   14 22 o 74.18212 3.422828  -1.769516      6.845656 
1 1 1 6   14 23 o 24.45599 5.455894  20.32251       10.91179 
1 1 1 6   14 24 o 37.23358 5.375156  3.026154       10.75031 
1 1 1 6   14 25 o 55.55053 3.431370  3.297112       6.862739 
1 1 1 6   14 26 o 38.43530 3.951761  -4.014366      7.903522 
1 1 1 6   14 27 o 42.78746 4.915344  ?              ?        
1 1 1 6   14 28 o 50.03420 3.719053  -35.17538      7.438106 
1 1 1 6   14 29 o 11.26644 3.634390  1.785969       7.268781 
1 1 1 6   15 0  x ?        ?         ?              ?        
1 1 1 6   15 1  x ?        ?         ?              ?        
1 1 1 6   15 2  o 129.0767 4.622004  ?              ?        
1 1 1 6   15 3  o 227.2170 3.933321  ?              ?        
1 1 1 6   15 4  o 115.0614 3.209135  ?              ?        
1 1 1 6   15 5  o 148.4459 3.355571  ?              ?        
1 1 1 6   15 6  o 108.9481 3.191628  ?              ?        
1 1 1 6   15 7  o 172.9627 3.497614  ?              ?        
1 1 1 6   15 8  o 282.9975 4.510974  ?              ?        
1 1 1 6   15 9  o 154.7203 3.318688  ?              ?        
1 1 1 6   15 10 o 106.0879 3.121082  ?              ?        
1 1 1 6   15 11 o 106.0969 4.790259  ?              ?        
1 1 1 6   15 12 o 110.9580 4.864818  ?              ?        
1 1 1 6   15 13 o 95.25446 4.972637  ?              ?        
1 1 1 6   15 14 o 68.19180 5.411009  ?              ?        
1 1 1 6   15 15 o 114.6795 5.003001  ?              ?        
1 1 1 6   15 16 o 68.06401 5.614489  ?              ?        
1 1 1 6   15 17 o 25.97954 6.041774  9.537281       12.08355 
1 1 1 6   15 18 o 64.86278 4.290975  -6.226273      8.581949 
1 1 1 6   15 19 o 90.26070 3.330537  0.2507858      6.661074 
1 1 1 6   15 20 o 97.73967 3.832811  -5.815811      7.665622 
1 1 1 6   15 21 f 65.31690 4.296029  -3.450321      8.592057 
1 1 1 6   15 22 o 33.09703 5.499183  4.372156       10.99837 
1 1 1 6   15 23 o 37.88716 4.941756  12.14103       9.883512 
1 1 1 6   15 24 o 11.71882 4.067160  8.055245       8.134319 
1 1 1 6   15 25 o 42.66455 4.555232  -12.77826      9.110463 
1 1 1 6   15 26 o 50.80203 3.359774  -13.12783      6.719548 
1 1 1 6   15 27 o 41.89568 3.050219  -5.695827      6.100438 
1 1 1 6   15 28 o 26.11550 4.133813  -5.774103      8.267626 
1 1 1 6   16 0  o 173.9930 5.056499  ?              ?        
1 1 1 6   16 1  o 108.0225 4.679059  ?              ?        
1 1 1 6   16 2  o 112.7753 4.565165  ?              ?        
1 1 1 6   16 3  o 85.61768 3.269032  ?              ?        
1 1 1 6   16 4  o 13.95481 5.989210  ?              ?        
1 1 1 6   16 5  o 85.47874 3.286698  ?              ?        
1 1 1 6   16 6  o 44.22478 4.117421  ?              ?        
1 1 1 6   16 7  f 141.4849 3.305018  ?              ?        
1 1 1 6   16 8  o 134.4903 3.291893  ?              ?        
1 1 1 6   16 9  o 227.6270 4.018778  ?              ?        
1 1 1 6   16 10 f 89.94924 3.327563  ?              ?        
1 1 1 6   16 11 o 50.28108 4.139766  ?              ?        
1 1 1 6   16 12 o 105.3523 5.023641  ?              ?        
1 1 1 6   16 13 o 41.35297 7.782124  ?              ?        
1 1 1 6   16 14 o 150.1177 5.192799  ?              ?        
1 1 1 6   16 15 o 59.39791 6.004989  ?              ?        
1 1 1 6   16 16 o 121.5345 5.251716  ?              ?        
1 1 1 6   16 17 o 52.64701 7.696595  ?              ?        
1 1 1 6   16 18 o 84.48324 4.330633  ?              ?        
1 1 1 6   16 19 o 54.53938 4.502517  -13.24764      9.005033 
1 1 1 6   16 20 o 59.89365 3.858254  8.208855       7.716507 
1 1 1 6   16 21 o 34.79209 5.387578  1.232319       10.77516 
1 1 1 6   16 22 o 58.47755 3.732663  3.824638       7.465325 
1 1 1 6   16 23 o 28.41883 5.861732  14.92298       11.72346 
1 1 1 6   16 24 o 23.45167 4.910316  -3.467121      9.820632 
1 1 1 6   16 25 o 23.39304 3.888839  -16.88021      7.777677 
1 1 1 6   16 26 o 49.96442 3.250917  ?              ?        
1 1 1 6   16 27 o 25.43762 4.122437  3.897646       8.244873 
1 1 1 6   16 28 o 26.30979 4.219700  -10.73209      8.439401 
1 1 1 6   17 0  o 28.25471 8.023099  ?              ?        
1 1 1 6   17 1  o 84.94739 4.844987  ?              ?        
1 1 1 6   17 2  o 119.5977 3.340394  ?              ?        
1 1 1 6   17 3  o 222.0864 3.958294  ?              ?        
1 1 1 6   17 4  f 109.0965 3.274940  ?              ?        
1 1 1 6   17 5  o 88.11284 3.266833  ?              ?        
1 1 1 6   17 6  o 44.11268 4.272636  ?              ?        
1 1 1 6   17 7  o 109.4171 3.311978  ?              ?        
1 1 1 6   17 8  o 79.69365 3.527503  ?              ?        
1 1 1 6   17 9  o 110.8543 3.343953  ?              ?        
1 1 1 6   17 10 o 164.3073 3.614236  ?              ?        
1 1 1 6   17 11 o 89.88669 3.532467  ?              ?        
1 1 1 6   17 12 o 100.0322 3.585556  ?              ?        
1 1 1 6   17 13 o 121.6841 5.351147  ?              ?        
1 1 1 6   17 14 o 95.09527 5.378962  ?              ?        
1 1 1 6   17 15 o 133.1634 5.380801  ?              ?        
1 1 1 6   17 16 o 44.68932 8.320837  ?              ?        
1 1 1 6   17 17 o 116.6044 5.562450  ?              ?        
1 1 1 6   17 18 o 15.57201 6.887515  ?              ?        
1 1 1 6   17 19 o 63.46769 6.725325  ?              ?        
1 1 1 6   17 20 o 16.61273 5.254347  -2.054137      10.50869 
1 1 1 6   17 21 o 37.88769 5.067865  3.530777       10.13573 
1 1 1 6   17 22 o 45.82724 4.237440  4.241196       8.474879 
1 1 1 6   17 23 o 76.35815 3.251635  ?              ?        
1 1 1 6   17 24 o 52.60056 3.470111  7.642448       6.940223 
1 1 1 6   17 25 o 13.71561 4.211262  5.827030       8.422523 
1 1 1 6   17 26 o 18.94919 3.679484  -14.34927      7.358967 
1 1 1 6   17 27 o 13.80083 3.714192  -8.672167      7.428383 
1 1 1 6   18 0  x ?        ?         ?              ?        
1 1 1 6   18 1  o 110.7892 4.772973  ?              ?        
1 1 1 6   18 2  o 183.6787 3.705304  ?              ?        
1 1 1 6   18 3  o 63.20080 3.630008  ?              ?        
1 1 1 6   18 4  o 42.11887 4.373950  ?              ?        
1 1 1 6   18 5  o 36.26350 5.010060  ?              ?        
1 1 1 6   18 6  o 95.57639 3.421725  ?              ?        
1 1 1 6   18 7  o 55.75949 4.193709  ?              ?        
1 1 1 6   18 8  f 21.26861 6.874360  ?              ?        
1 1 1 6   18 9  o 165.6854 3.692693  ?              ?        
1 1 1 6   18 10 o 18.19915 6.940898  ?              ?        
1 1 1 6   18 11 o 137.2090 3.594789  ?              ?        
1 1 1 6   18 12 o 73.64818 3.838106  ?              ?        
1 1 1 6   18 13 o 112.3274 3.661821  ?              ?        
1 1 1 6   18 14 o 43.31441 8.768037  ?              ?        
1 1 1 6   18 15 x ?        ?         ?              ?        
1 1 1 6   18 16 x ?        ?         ?              ?        
1 1 1 6   18 17 o 100.4981 5.930281  ?              ?        
1 1 1 6   18 18 o 42.81193 8.265080  ?              ?        
1 1 1 6   18 19 o 30.60682 6.709002  ?              ?        
1 1 1 6   18 20 o 58.32411 4.176467  ?              ?        
1 1 1 6   18 21 o 31.97278 5.271317  ?              ?        
1 1 1 6   18 22 o 48.00516 3.650287  17.19406       7.300573 
1 1 1 6   18 23 f 45.24586 3.646546  -8.308720      7.293092 
1 1 1 6   18 24 o 14.37243 4.240466  7.546936       8.480932 
1 1 1 6   18 25 o 13.44967 4.032623  -0.3877764     8.065246 
1 1 1 6   18 26 o 25.96355 4.131883  -5.147511      8.263765 
1 1 1 6   19 0  x ?        ?         ?              ?        
1 1 1 6   19 1  o 156.4992 3.739382  ?              ?        
1 1 1 6   19 2  o 90.95126 3.452869  ?              ?        
1 1 1 6   19 3  o 97.97520 3.466388  ?              ?        
1 1 1 6   19 4  o 56.90034 4.096018  ?              ?        
1 1 1 6   19 5  o 123.2981 3.543300  ?              ?        
1 1 1 6   19 6  o 99.44772 3.515933  ?              ?        
1 1 1 6   19 7  o 54.72348 4.214699  ?              ?        
1 1 1 6   19 8  o 84.91566 5.033603  ?              ?        
1 1 1 6   19 9  o 45.71800 7.100599  ?              ?        
1 1 1 6   19 10 o 95.81319 5.109568  ?              ?        
1 1 1 6   19 11 o 53.49693 6.282477  ?              ?        
1 1 1 6   19 12 o 31.21643 6.972881  ?              ?        
1 1 1 6   19 13 o 122.1509 3.761184  ?              ?        
1 1 1 6   19 14 o 14.83786 6.466892  ?              ?        
1 1 1 6   19 15 o 65.57000 6.999155  ?              ?        
1 1 1 6   19 16 o 64.31020 7.296301  ?              ?        
1 1 1 6   19 17 o 56.12201 7.037009  ?              ?        
1 1 1 6   19 18 o 113.7869 5.429595  ?              ?        
1 1 1 6   19 19 o 12.48838 5.698818  ?              ?        
1 1 1 6   19 20 o 12.21707 5.526262  ?              ?        
1 1 1 6   19 21 o 15.47552 6.043643  ?              ?        
1 1 1 6   19 22 f 14.94952 5.926675  ?              ?        
1 1 1 6   19 23 o 20.78289 5.805028  ?              ?        
1 1 1 6   19 24 o 28.70261 4.608727  2.637146       9.217453 
1 1 1 6   19 25 o 31.89523 4.287438  8.632254       8.574876 
1 1 1 6   20 0  x ?        ?         ?              ?        
1 1 1 6   20 1  o 109.9452 5.185463  ?              ?        
1 1 1 6   20 2  o 25.20696 8.792120  ?              ?        
1 1 1 6   20 3  o 40.31495 7.764832  ?              ?        
1 1 1 6   20 4  o 98.71860 3.715406  ?              ?        
1 1 1 6   20 5  o 26.95314 7.158882  ?              ?        
1 1 1 6   20 6  o 75.07481 3.960582  ?              ?        
1 1 1 6   20 7  o 22.33039 7.386648  ?              ?        
1 1 1 6   20 8  o 43.01385 5.389618  ?              ?        
1 1 1 6   20 9  o 33.05896 6.663144  ?              ?        
1 1 1 6   20 10 o 58.58243 4.659025  ?              ?        
1 1 1 6   20 11 o 32.05055 7.514467  ?              ?        
1 1 1 6   20 12 o 45.31538 9.310801  ?              ?        
1 1 1 6   20 13 o 92.35262 6.003216  ?              ?        
1 1 1 6   20 14 o 39.61992 9.184938  ?              ?        
1 1 1 6   20 15 o 138.6280 5.888099  ?              ?        
1 1 1 6   20 16 f 84.47221 6.036782  ?              ?        
1 1 1 6   20 17 o 118.7013 5.507029  ?              ?        
1 1 1 6   20 18 o 40.36629 7.871304  ?              ?        
1 1 1 6   20 19 o 14.91665 6.274552  ?              ?        
1 1 1 6   20 20 x ?        ?         ?              ?        
1 1 1 6   20 21 f 20.85629 7.747659  ?              ?        
1 1 1 6   20 22 o 43.50739 4.001773  ?              ?        
1 1 1 6   20 23 o 17.33046 5.787513  ?              ?        
1 1 1 6   20 24 o 19.59589 6.000166  ?              ?        
1 1 1 6   21 0  o 118.8532 3.710550  ?              ?        
1 1 1 6   21 1  o 55.41379 4.734772  ?              ?        
1 1 1 6   21 2  o 107.6696 3.786360  ?              ?        
1 1 1 6   21 3  f 148.1936 3.881515  ?              ?        
1 1 1 6   21 4  o 190.2325 4.050817  ?              ?        
1 1 1 6   21 5  o 42.89078 5.464030  ?              ?        
1 1 1 6   21 6  o 16.25439 7.029747  ?              ?        
1 1 1 6   21 7  o 60.93133 4.657205  ?              ?        
1 1 1 6   21 8  o 59.28770 4.705755  ?              ?        
1 1 1 6   21 9  o 57.00523 4.860599  ?              ?        
1 1 1 6   21 10 o 127.4654 3.927398  ?              ?        
1 1 1 6   21 11 o 123.5301 3.892325  ?              ?        
1 1 1 6   21 12 o 30.27024 6.961442  ?              ?        
1 1 1 6   21 13 o 29.70019 7.038663  ?              ?        
1 1 1 6   21 14 o 59.64936 4.450133  ?              ?        
1 1 1 6   21 15 f 17.23992 6.991485  ?              ?        
1 1 1 6   21 16 o 81.58546 3.924938  ?              ?        
1 1 1 6   21 17 o 60.35658 6.045220  ?              ?        
1 1 1 6   21 18 o 19.35773 7.699142  ?              ?        
1 1 1 6   21 19 o 31.93112 7.286461  ?              ?        
1 1 1 6   21 20 o 15.41018 6.761954  ?              ?        
1 1 1 6   21 21 o 33.93929 7.628566  ?              ?        
1 1 1 6   21 22 o 17.91668 7.358375  ?              ?        
1 1 1 6   21 23 o 20.09177 5.995489  ?              ?        
1 1 1 6   22 0  o 14.54380 6.567328  ?              ?        
1 1 1 6   22 1  o 69.55826 4.432153  ?              ?        
1 1 1 6   22 2  o 81.28152 4.137971  ?              ?        
1 1 1 6   22 3  o 123.3712 3.912055  ?              ?        
1 1 1 6   22 4  o 58.92862 4.736693  ?              ?        
1 1 1 6   22 5  o 42.04143 5.836865  ?              ?        
1 1 1 6   22 6  o 55.76050 5.217166  ?              ?        
1 1 1 6   22 7  o 117.8281 3.931950  ?              ?        
1 1 1 6   22 8  o 120.0050 3.938993  ?              ?        
1 1 1 6   22 9  o 22.88141 7.915598  ?              ?        
1 1 1 6   22 10 o 33.15358 6.850812  ?              ?        
1 1 1 6   22 11 o 84.65608 4.010842  ?              ?        
1 1 1 6   22 12 o 54.84747 4.514010  ?              ?        
1 1 1 6   22 13 o 55.98425 4.417428  ?              ?        
1 1 1 6   22 14 o 37.15569 5.568871  ?              ?        
1 1 1 6   22 15 o 51.12940 4.889616  ?              ?        
1 1 1 6   22 16 o 30.17076 5.797199  ?              ?        
1 1 1 6   22 17 o 48.42290 5.471122  ?              ?        
1 1 1 6   22 18 x ?        ?         ?              ?        
1 1 1 6   22 19 o 23.10323 6.986067  ?              ?        
1 1 1 6   22 20 o 32.29498 5.099163  ?              ?        
1 1 1 6   22 21 o 15.03081 5.749691  ?              ?        
1 1 1 6   22 22 o 15.83085 5.897749  ?              ?        
1 1 1 6   23 0  o 77.38182 4.352919  ?              ?        
1 1 1 6   23 1  o 102.2685 4.045879  ?              ?        
1 1 1 6   23 2  o 66.86617 4.927696  ?              ?        
1 1 1 6   23 3  o 69.92647 4.700334  ?              ?        
1 1 1 6   23 4  o 35.04525 7.626070  ?              ?        
1 1 1 6   23 5  o 28.75299 8.077522  ?              ?        
1 1 1 6   23 6  o 65.35941 4.831060  ?              ?        
1 1 1 6   23 7  o 28.78077 7.669455  ?              ?        
1 1 1 6   23 8  o 87.15046 4.040062  ?              ?        
1 1 1 6   23 9  o 18.82933 7.367997  ?              ?        
1 1 1 6   23 10 o 64.41209 4.325821  ?              ?        
1 1 1 6   23 11 o 29.65027 8.951439  ?              ?        
1 1 1 6   23 12 o 24.21010 8.165633  ?              ?        
1 1 1 6   23 13 o 29.70022 8.277730  ?              ?        
1 1 1 6   23 14 o 56.48105 3.941420  ?              ?        
1 1 1 6   23 15 o 29.73085 4.908147  ?              ?        
1 1 1 6   23 16 o 45.12489 3.942452  ?              ?        
1 1 1 6   23 17 o 21.41942 5.765691  ?              ?        
1 1 1 6   23 18 o 59.95142 3.310574  ?              ?        
1 1 1 6   23 19 o 45.41715 5.209172  ?              ?        
1 1 1 6   23 20 o 39.49496 4.109447  ?              ?        
1 1 1 6   24 0  o 14.81083 6.526096  ?              ?        
1 1 1 6   24 1  o 109.3419 4.027917  ?              ?        
1 1 1 6   24 2  o 60.43423 4.851792  ?              ?        
1 1 1 6   24 3  o 113.7507 4.039668  ?              ?        
1 1 1 6   24 4  o 49.94174 5.211839  ?              ?        
1 1 1 6   24 5  f 25.35636 7.649545  ?              ?        
1 1 1 6   24 6  o 33.08382 6.834697  ?              ?        
1 1 1 6   24 7  o 28.60931 7.298395  ?              ?        
1 1 1 6   24 8  f 61.19446 4.326955  ?              ?        
1 1 1 6   24 9  f 44.11600 4.664987  ?              ?        
1 1 1 6   24 10 o 44.99253 4.346891  ?              ?        
1 1 1 6   24 11 o 23.07251 6.906374  ?              ?        
1 1 1 6   24 12 o 23.09239 6.497676  ?              ?        
1 1 1 6   24 13 o 35.24529 5.040000  ?              ?        
1 1 1 6   24 14 o 48.17860 3.712717  ?              ?        
1 1 1 6   24 15 o 32.69632 4.677456  ?              ?        
1 1 1 6   24 16 o 21.14698 6.798784  ?              ?        
1 1 1 6   24 17 o 20.27146 6.984122  ?              ?        
1 1 1 6   24 18 o 14.18478 5.415380  ?              ?        
1 1 1 6   24 19 o 15.23881 5.543489  ?              ?        
1 1 1 6   25 0  o 73.32697 4.256579  ?              ?        
1 1 1 6   25 1  o 58.59070 4.474118  ?              ?        
1 1 1 6   25 2  o 77.23989 4.079077  ?              ?        
1 1 1 6   25 3  o 32.65133 7.043333  ?              ?        
1 1 1 6   25 4  o 32.10782 6.722726  ?              ?        
1 1 1 6   25 5  o 21.24705 7.039158  ?              ?        
1 1 1 6   25 6  o 28.28719 6.401529  ?              ?        
1 1 1 6   25 7  o 33.87015 5.371478  ?              ?        
1 1 1 6   25 8  o 19.92851 6.874388  ?              ?        
1 1 1 6   25 9  o 12.43162 5.543025  ?              ?        
1 1 1 6   25 10 o 27.27389 6.196124  ?              ?        
1 1 1 6   25 11 o 41.23710 4.104597  ?              ?        
1 1 1 6   25 12 o 13.30006 5.478236  ?              ?        
1 1 1 6   25 13 o 31.57829 4.604964  ?              ?        
1 1 1 6   25 14 o 13.07494 5.435102  ?              ?        
1 1 1 6   25 15 o 11.16870 4.994519  ?              ?        
1 1 1 6   25 16 o 12.91589 5.292318  ?              ?        
1 1 1 6   25 17 o 22.10627 5.405912  ?              ?        
1 1 1 6   26 0  o 54.38415 4.222154  ?              ?        
1 1 1 6   26 1  o 44.73059 4.666920  ?              ?        
1 1 1 6   26 2  o 18.58443 6.833103  ?              ?        
1 1 1 6   26 3  f 20.07080 6.806517  ?              ?        
1 1 1 6   26 4  f 26.78637 6.412722  ?              ?        
1 1 1 6   26 5  o 68.95220 3.778637  ?              ?        
1 1 1 6   26 6  o 19.84898 6.616811  ?              ?        
1 1 1 6   26 7  o 39.08859 4.543129  ?              ?        
1 1 1 6   26 8  o 23.29958 6.315531  ?              ?        
1 1 1 6   26 9  o 32.75159 4.220458  ?              ?        
1 1 1 6   26 10 o 12.79275 5.093995  ?              ?        
1 1 1 6   26 11 o 19.69749 5.548786  ?              ?        
1 1 1 6   26 12 o 10.71658 4.749556  ?              ?        
1 1 1 6   26 13 o 18.53957 5.517532  ?              ?        
1 1 1 6   26 14 o 12.34555 5.079535  ?              ?        
1 1 1 6   26 15 o 9.693358 4.538845  ?              ?        
1 1 1 6   27 0  o 38.66791 4.645659  ?              ?        
1 1 1 6   27 1  o 46.69197 4.284495  ?              ?        
1 1 1 6   27 2  o 56.48382 3.922734  ?              ?        
1 1 1 6   27 3  o 11.97236 5.310058  ?              ?        
1 1 1 6   27 4  o 35.55466 4.080515  ?              ?        
1 1 1 6   27 5  o 43.49876 3.661087  ?              ?        
1 1 1 6   27 6  o 12.85220 5.329461  ?              ?        
1 1 1 6   27 7  f 50.68519 3.359637  ?              ?        
1 1 1 6   27 8  o 18.01650 5.563898  ?              ?        
1 1 1 6   27 9  o 30.30754 4.101797  ?              ?        
1 1 1 6   27 10 o 16.55679 6.588953  ?              ?        
1 1 1 6   27 11 o 12.74689 5.748631  ?              ?        
1 1 1 6   27 12 o 36.30412 5.750272  ?              ?        
1 1 1 6   27 13 o 14.71157 6.107561  ?              ?        
1 1 1 6   28 0  x ?        ?         ?              ?        
1 1 1 6   28 1  o 24.73347 6.976759  ?              ?        
1 1 1 6   28 2  o 16.16558 6.440889  ?              ?        
1 1 1 6   28 3  o 24.25892 7.020535  ?              ?        
1 1 1 6   28 4  o 36.17267 5.587514  ?              ?        
1 1 1 6   28 5  o 22.68490 6.920121  ?              ?        
1 1 1 6   28 6  o 47.29731 5.152486  ?              ?        
1 1 1 6   28 7  o 24.77320 6.673017  ?              ?        
1 1 1 6   28 8  o 14.09405 6.209361  ?              ?        
1 1 1 6   28 9  o 40.11912 5.385103  ?              ?        
1 1 1 6   28 10 o 9.618356 4.640450  ?              ?        
1 1 1 6   29 0  x ?        ?         ?              ?        
1 1 1 6   29 1  x ?        ?         ?              ?        
1 1 1 6   29 2  x ?        ?         ?              ?        
1 1 1 6   29 3  x ?        ?         ?              ?        
1 1 1 6   29 4  x ?        ?         ?              ?        
1 1 1 6   29 5  x ?        ?         ?              ?        
1 1 1 7   0  0  f 146.8947 2.077914  -0.000000      0.000000 
1 1 1 7   0  1  o 412.1815 7.765349  -0.000000      0.000000 
1 1 1 7   0  2  x ?        ?         ?              ?        
1 1 1 7   0  3  f 61.43329 1.149460  -0.000000      0.000000 
1 1 1 7   0  4  x ?        ?         ?              ?        
1 1 1 7   0  5  x ?        ?         ?              ?        
1 1 1 7   0  6  x ?        ?         ?              ?        
1 1 1 7   0  7  x ?        ?         ?              ?        
1 1 1 7   0  8  x ?        ?         ?              ?        
1 1 1 7   0  9  x ?        ?         ?              ?        
1 1 1 7   0  10 o 14.21409 2.606689  -0.000000      0.000000 
1 1 1 7   0  11 o 177.9471 2.500982  -0.000000      0.000000 
1 1 1 7   0  12 o 13.41981 4.295365  -0.000000      0.000000 
1 1 1 7   0  13 o 373.7246 5.034348  -0.000000      0.000000 
1 1 1 7   0  14 o 30.40208 2.463763  -0.000000      0.000000 
1 1 1 7   0  15 o 47.15961 1.934294  -0.000000      0.000000 
1 1 1 7   0  16 o 121.8036 3.160195  -0.000000      0.000000 
1 1 1 7   0  17 o 405.9562 5.519776  -0.000000      0.000000 
1 1 1 7   0  18 o 10.01933 5.221240  -0.000000      0.000000 
1 1 1 7   0  19 o 96.39648 2.689663  -0.000000      0.000000 
1 1 1 7   0  20 o 10.41777 5.518954  -0.000000      0.000000 
1 1 1 7   0  21 o 49.57402 2.420837  -0.000000      0.000000 
1 1 1 7   0  22 o 55.56075 2.491177  -0.000000      0.000000 
1 1 1 7   0  23 o 6.588445 4.580234  -0.000000      0.000000 
1 1 1 7   0  24 f 153.7774 2.825376  -0.000000      0.000000 
1 1 1 7   0  25 o 121.1560 2.698011  -0.000000      0.000000 
1 1 1 7   0  26 o 138.5838 2.857193  -0.000000      0.000000 
1 1 1 7   0  27 o 9.952861 6.179909  -0.000000      0.000000 
1 1 1 7   0  28 o 105.4495 2.616257  -0.000000      0.000000 
1 1 1 7   0  29 o 31.76172 5.268330  -0.000000      0.000000 
1 1 1 7   0  30 o 64.45686 2.557620  -0.000000      0.000000 
1 1 1 7   0  31 f 11.94219 5.888633  -0.000000      0.000000 
1 1 1 7   0  32 o 5.796785 4.046230  -0.000000      0.000000 
1 1 1 7   0  33 x ?        ?         ?              ?        
1 1 1 7   1  0  o 243.4581 3.377184  ?              ?        
1 1 1 7   1  1  o 220.4492 3.069164  -12.52980      6.138329 
1 1 1 7   1  2  f 120.7831 1.299910  1.124046       2.599820 
1 1 1 7   1  3  o 155.1452 2.147125  ?              ?        
1 1 1 7   1  4  o 281.2334 3.305294  2.113861       6.610587 
1 1 1 7   1  5  o 343.7668 4.601988  ?              ?        
1 1 1 7   1  6  x ?        ?         ?              ?        
1 1 1 7   1  7  o 514.6901 9.739612  ?              ?        
1 1 1 7   1  8  o 342.2329 6.489276  ?              ?        
1 1 1 7   1  9  o 190.1945 3.683110  ?              ?        
1 1 1 7   1  10 o 111.6362 1.451453  -10.12865      2.902907 
1 1 1 7   1  11 o 160.8075 1.996861  -6.017380      3.993721 
1 1 1 7   1  12 o 138.4236 2.190199  ?              ?        
1 1 1 7   1  13 o 161.2957 1.688173  -1.002502      3.376346 
1 1 1 7   1  14 o 225.6330 2.247975  -2.153107      4.495950 
1 1 1 7   1  15 o 122.5987 1.459766  -1.339447      2.919533 
1 1 1 7   1  16 o 99.45351 1.765362  -3.547508      3.530724 
1 1 1 7   1  17 o 31.01007 2.599985  -3.604887      5.199970 
1 1 1 7   1  18 o 162.7705 2.230133  2.587952       4.460266 
1 1 1 7   1  19 o 119.0747 1.796247  -3.641464      3.592493 
1 1 1 7   1  20 o 129.2517 1.672860  4.168701       3.345720 
1 1 1 7   1  21 o 55.87190 1.651455  -3.939503      3.302910 
1 1 1 7   1  22 o 100.7081 1.650116  0.9520416      3.300232 
1 1 1 7   1  23 o 30.45560 2.683348  4.495672       5.366696 
1 1 1 7   1  24 o 91.77348 1.785101  0.5521774      3.570202 
1 1 1 7   1  25 o 49.49824 2.256035  -1.176098      4.512071 
1 1 1 7   1  26 o 66.24854 2.704750  7.131649       5.409499 
1 1 1 7   1  27 o 41.48386 3.331896  -6.201054      6.663792 
1 1 1 7   1  28 o 32.82798 2.709464  1.559723       5.418928 
1 1 1 7   1  29 o 65.85529 2.598784  -6.268967      5.197568 
1 1 1 7   1  30 o 21.30741 3.370653  -5.266125      6.741305 
1 1 1 7   1  31 o 49.33855 2.000231  -8.986298      4.000461 
1 1 1 7   1  32 o 19.36983 3.420047  -0.8938751     6.840093 
1 1 1 7   1  33 x ?        ?         ?              ?        
1 1 1 7   2  0  o 126.6196 1.469382  -8.440529      2.938763 
1 1 1 7   2  1  o 230.1857 3.286742  -9.530716      6.573484 
1 1 1 7   2  2  o 141.9215 1.848745  -5.131699      3.697490 
1 1 1 7   2  3  o 385.2461 4.455484  -8.742157      8.910969 
1 1 1 7   2  4  o 71.99460 1.201986  -8.763710      2.403973 
1 1 1 7   2  5  o 284.8900 3.864686  -18.25620      7.729373 
1 1 1 7   2  6  o 189.1130 2.640937  ?              ?        
1 1 1 7   2  7  o 146.4591 2.068658  ?              ?        
1 1 1 7   2  8  o 158.0050 1.819809  ?              ?        
1 1 1 7   2  9  o 405.0894 4.421421  ?              ?        
1 1 1 7   2  10 o 98.28958 1.468436  -4.029182      2.936872 
1 1 1 7   2  11 o 265.8232 3.135734  -6.988983      6.271467 
1 1 1 7   2  12 o 470.2981 5.370660  -21.26892      10.74132 
1 1 1 7   2  13 o 167.0997 2.190495  -8.479248      4.380990 
1 1 1 7   2  14 o 238.2835 2.912927  -7.255310      5.825855 
1 1 1 7   2  15 o 96.62982 1.708176  -4.275330      3.416353 
1 1 1 7   2  16 o 43.40450 2.142483  -0.1878548     4.284965 
1 1 1 7   2  17 o 173.9255 1.932283  7.476303       3.864566 
1 1 1 7   2  18 o 91.54930 1.443701  3.206245       2.887403 
1 1 1 7   2  19 o 69.51262 2.023007  -4.401482      4.046014 
1 1 1 7   2  20 o 55.80619 1.605578  1.167919       3.211156 
1 1 1 7   2  21 o 74.99869 1.596376  3.549507       3.192752 
1 1 1 7   2  22 o 98.00836 1.678859  -1.012970      3.357719 
1 1 1 7   2  23 o 131.0520 1.842920  -1.899765      3.685841 
1 1 1 7   2  24 o 129.4060 1.896466  4.261139       3.792932 
1 1 1 7   2  25 o 73.81670 2.574020  -5.135452      5.148040 
1 1 1 7   2  26 o 105.2885 1.948237  -2.788979      3.896473 
1 1 1 7   2  27 o 20.99723 4.430134  -3.202627      8.860269 
1 1 1 7   2  28 o 69.21221 2.521626  -6.083084      5.043251 
1 1 1 7   2  29 o 10.37709 3.373481  -0.5526133     6.746962 
1 1 1 7   2  30 o 18.13407 3.158558  -13.05422      6.317116 
1 1 1 7   2  31 o 14.50523 3.321560  -8.009322      6.643121 
1 1 1 7   2  32 o 28.80526 3.949469  ?              ?        
1 1 1 7   2  33 x ?        ?         ?              ?        
1 1 1 7   3  0  o 303.7717 3.717242  -6.324921      7.434484 
1 1 1 7   3  1  o 166.0555 3.700748  ?              ?        
1 1 1 7   3  2  f 135.6422 1.912578  3.749161       3.825156 
1 1 1 7   3  3  o 167.5698 2.151111  -5.580948      4.302222 
1 1 1 7   3  4  o 272.7057 3.747998  -6.060425      7.495996 
1 1 1 7   3  5  o 205.6240 2.892095  -9.602646      5.784190 
1 1 1 7   3  6  o 248.1612 3.435052  ?              ?        
1 1 1 7   3  7  o 91.74746 1.670334  ?              ?        
1 1 1 7   3  8  o 348.6971 3.853148  ?              ?        
1 1 1 7   3  9  o 387.9414 4.265570  ?              ?        
1 1 1 7   3  10 o 306.5290 4.175621  ?              ?        
1 1 1 7   3  11 o 216.3976 2.651803  -8.349121      5.303607 
1 1 1 7   3  12 o 157.4258 2.152305  2.537430       4.304610 
1 1 1 7   3  13 o 107.4722 1.948717  -5.949234      3.897434 
1 1 1 7   3  14 o 56.45359 1.951777  2.631157       3.903554 
1 1 1 7   3  15 o 258.9343 3.238918  2.720032       6.477835 
1 1 1 7   3  16 o 115.5289 1.926299  ?              ?        
1 1 1 7   3  17 f 40.01614 2.327885  3.943737       4.655771 
1 1 1 7   3  18 f 31.30818 2.883390  5.447598       5.766781 
1 1 1 7   3  19 o 153.9296 2.577555  -0.9822083E-01 5.155110 
1 1 1 7   3  20 o 57.57165 1.716197  -2.563694      3.432395 
1 1 1 7   3  21 f 82.72249 1.652067  1.776253       3.304134 
1 1 1 7   3  22 o 91.29041 1.742273  3.692383       3.484546 
1 1 1 7   3  23 o 113.2605 1.819736  3.635284       3.639473 
1 1 1 7   3  24 o 134.3591 1.963716  2.286026       3.927432 
1 1 1 7   3  25 o 28.09731 4.783001  -2.868099      9.566003 
1 1 1 7   3  26 o 13.92028 3.537686  -6.425255      7.075373 
1 1 1 7   3  27 o 59.65078 2.723459  -2.111370      5.446918 
1 1 1 7   3  28 o 62.88111 2.064566  -9.563854      4.129131 
1 1 1 7   3  29 o 88.89383 2.128533  -19.07971      4.257067 
1 1 1 7   3  30 o 44.27730 3.318627  ?              ?        
1 1 1 7   3  31 o 35.83120 2.325720  -8.744930      4.651440 
1 1 1 7   3  32 o 39.63085 2.268734  -3.674801      4.537467 
1 1 1 7   3  33 x ?        ?         ?              ?        
1 1 1 7   4  0  o 66.54878 1.622931  6.266518       3.245862 
1 1 1 7   4  1  o 138.8903 2.422150  8.216370       4.844299 
1 1 1 7   4  2  f 155.1095 2.427322  -2.583054      4.854645 
1 1 1 7   4  3  o 60.66195 1.676718  -3.074181      3.353436 
1 1 1 7   4  4  o 237.4870 3.354761  -9.303406      6.709522 
1 1 1 7   4  5  o 355.0567 6.835878  ?              ?        
1 1 1 7   4  6  o 216.2426 4.347492  ?              ?        
1 1 1 7   4  7  o 259.2565 5.098565  ?              ?        
1 1 1 7   4  8  o 304.4650 5.899342  ?              ?        
1 1 1 7   4  9  o 274.3828 3.819602  ?              ?        
1 1 1 7   4  10 o 206.7936 4.202932  ?              ?        
1 1 1 7   4  11 o 140.8124 2.031709  -12.06430      4.063419 
1 1 1 7   4  12 o 88.36653 1.833625  -5.358627      3.667251 
1 1 1 7   4  13 o 91.63847 3.219322  ?              ?        
1 1 1 7   4  14 o 186.2954 2.732055  ?              ?        
1 1 1 7   4  15 o 71.02225 1.948115  -1.311638      3.896230 
1 1 1 7   4  16 o 19.21173 3.585277  -2.270433      7.170554 
1 1 1 7   4  17 o 169.0148 2.808019  4.026840       5.616039 
1 1 1 7   4  18 o 32.08646 3.157651  4.069984       6.315302 
1 1 1 7   4  19 o 51.62838 4.165918  ?              ?        
1 1 1 7   4  20 o 85.47290 2.156815  5.522102       4.313630 
1 1 1 7   4  21 o 158.7725 2.545956  6.306458       5.091913 
1 1 1 7   4  22 o 183.8538 2.803768  8.300598       5.607536 
1 1 1 7   4  23 o 156.7791 2.617114  -0.7696228     5.234229 
1 1 1 7   4  24 o 16.92269 5.053442  8.307555       10.10688 
1 1 1 7   4  25 o 33.00736 4.463264  -1.589985      8.926527 
1 1 1 7   4  26 o 86.75279 2.099300  ?              ?        
1 1 1 7   4  27 o 41.83282 2.646634  -10.55529      5.293268 
1 1 1 7   4  28 o 31.54210 3.332981  -13.37469      6.665962 
1 1 1 7   4  29 o 47.23150 2.333520  -11.85786      4.667040 
1 1 1 7   4  30 o 45.08133 2.213450  -19.69494      4.426901 
1 1 1 7   4  31 o 41.21501 3.233006  ?              ?        
1 1 1 7   4  32 o 32.61312 3.759122  ?              ?        
1 1 1 7   5  0  o 140.2303 2.488782  ?              ?        
1 1 1 7   5  1  o 50.64724 1.923494  -7.814205      3.846988 
1 1 1 7   5  2  o 56.34965 1.863330  3.176842       3.726660 
1 1 1 7   5  3  o 299.9769 4.184016  -4.934174      8.368032 
1 1 1 7   5  4  o 257.1758 5.145905  ?              ?        
1 1 1 7   5  5  x ?        ?         ?              ?        
1 1 1 7   5  6  o 432.4215 5.865840  ?              ?        
1 1 1 7   5  7  o 61.78332 1.875132  ?              ?        
1 1 1 7   5  8  f 338.7250 4.675153  ?              ?        
1 1 1 7   5  9  o 241.5960 3.490245  ?              ?        
1 1 1 7   5  10 o 150.9384 2.582815  ?              ?        
1 1 1 7   5  11 o 85.97292 2.227765  ?              ?        
1 1 1 7   5  12 o 142.8276 2.257199  1.282288       4.514399 
1 1 1 7   5  13 o 198.2781 2.693286  0.8946686      5.386572 
1 1 1 7   5  14 o 256.2911 3.257729  -1.744568      6.515458 
1 1 1 7   5  15 o 103.8927 2.038135  -4.035202      4.076269 
1 1 1 7   5  16 o 133.1563 2.590221  3.083557       5.180442 
1 1 1 7   5  17 o 58.80085 2.147119  3.645935       4.294239 
1 1 1 7   5  18 o 42.21333 2.442109  -1.966656      4.884219 
1 1 1 7   5  19 o 77.13300 2.161141  -4.329475      4.322282 
1 1 1 7   5  20 o 139.1935 2.440860  4.800156       4.881720 
1 1 1 7   5  21 o 71.69437 2.504783  -1.610817      5.009566 
1 1 1 7   5  22 o 80.01000 2.664118  8.957535       5.328235 
1 1 1 7   5  23 o 113.5544 2.523242  2.139633       5.046484 
1 1 1 7   5  24 o 53.11977 3.356187  -6.198524      6.712374 
1 1 1 7   5  25 o 132.8869 2.365794  ?              ?        
1 1 1 7   5  26 o 34.80544 4.490651  -1.772743      8.981302 
1 1 1 7   5  27 o 50.94442 3.198361  -0.4932632     6.396721 
1 1 1 7   5  28 o 33.92680 4.265247  -19.04664      8.530495 
1 1 1 7   5  29 f 38.73911 3.092258  -8.424496      6.184516 
1 1 1 7   5  30 o 24.80686 6.507086  ?              ?        
1 1 1 7   5  31 o 32.52454 3.580480  -21.43567      7.160960 
1 1 1 7   5  32 o 53.23925 4.259483  ?              ?        
1 1 1 7   6  0  o 273.3619 3.940606  8.949707       7.881211 
1 1 1 7   6  1  o 144.6664 2.491495  -5.454666      4.982991 
1 1 1 7   6  2  o 47.43797 2.905357  ?              ?        
1 1 1 7   6  3  o 157.6202 3.627834  ?              ?        
1 1 1 7   6  4  o 395.9359 5.427219  1.698517       10.85444 
1 1 1 7   6  5  o 309.8386 6.130214  ?              ?        
1 1 1 7   6  6  o 348.5633 4.832174  ?              ?        
1 1 1 7   6  7  o 183.0726 2.870398  ?              ?        
1 1 1 7   6  8  o 63.96428 2.121006  ?              ?        
1 1 1 7   6  9  o 182.8963 2.899271  ?              ?        
1 1 1 7   6  10 o 71.77007 3.591850  ?              ?        
1 1 1 7   6  11 o 181.9992 3.009044  ?              ?        
1 1 1 7   6  12 o 148.1565 2.337991  -2.441574      4.675983 
1 1 1 7   6  13 o 138.5428 2.676898  3.504471       5.353797 
1 1 1 7   6  14 o 51.64494 3.090909  13.94261       6.181819 
1 1 1 7   6  15 o 117.2609 2.211428  1.005157       4.422856 
1 1 1 7   6  16 o 98.76671 2.154612  2.872032       4.309224 
1 1 1 7   6  17 o 134.8197 2.265319  -8.749100      4.530639 
1 1 1 7   6  18 o 67.23434 2.219076  -2.023827      4.438152 
1 1 1 7   6  19 o 93.15075 2.239045  0.4275055      4.478089 
1 1 1 7   6  20 o 147.4258 2.734182  10.68138       5.468365 
1 1 1 7   6  21 o 119.6210 2.565660  -4.320351      5.131321 
1 1 1 7   6  22 o 153.7766 2.650318  -5.543533      5.300636 
1 1 1 7   6  23 o 80.10339 1.979137  ?              ?        
1 1 1 7   6  24 o 132.1789 2.305609  ?              ?        
1 1 1 7   6  25 o 26.91886 4.831787  0.7923527      9.663573 
1 1 1 7   6  26 o 46.15527 3.562793  3.035942       7.125587 
1 1 1 7   6  27 o 46.49418 3.563267  0.9856758      7.126534 
1 1 1 7   6  28 o 54.14689 3.468713  -27.29815      6.937425 
1 1 1 7   6  29 o 29.43308 4.257372  -12.36185      8.514744 
1 1 1 7   6  30 o 70.68913 4.686869  ?              ?        
1 1 1 7   6  31 o 67.41664 3.956741  ?              ?        
1 1 1 7   6  32 o 10.54934 4.949190  ?              ?        
1 1 1 7   7  0  f 143.9937 2.576797  -3.471970      5.153594 
1 1 1 7   7  1  o 142.5464 2.565098  -4.935455      5.130197 
1 1 1 7   7  2  f 165.9124 2.751971  -2.936417      5.503942 
1 1 1 7   7  3  o 185.1977 2.928552  1.331451       5.857105 
1 1 1 7   7  4  o 97.30092 2.175046  8.617195       4.350091 
1 1 1 7   7  5  o 23.06132 4.847175  ?              ?        
1 1 1 7   7  6  o 169.9460 2.809003  ?              ?        
1 1 1 7   7  7  o 333.6226 4.692996  ?              ?        
1 1 1 7   7  8  o 253.0242 3.724462  ?              ?        
1 1 1 7   7  9  o 151.3307 2.675130  ?              ?        
1 1 1 7   7  10 o 214.9936 4.823496  ?              ?        
1 1 1 7   7  11 o 207.0793 4.757609  ?              ?        
1 1 1 7   7  12 o 44.66608 3.147816  -5.888153      6.295633 
1 1 1 7   7  13 o 111.9551 2.257122  -3.665756      4.514243 
1 1 1 7   7  14 o 272.4920 3.504464  -6.676575      7.008929 
1 1 1 7   7  15 f 110.6163 2.317223  14.19923       4.634447 
1 1 1 7   7  16 o 60.89197 2.402741  -0.6774902E-02 4.805483 
1 1 1 7   7  17 o 112.3020 2.277748  1.346687       4.555497 
1 1 1 7   7  18 o 67.17593 2.466007  3.235794       4.932014 
1 1 1 7   7  19 o 12.59058 3.890141  4.242347       7.780282 
1 1 1 7   7  20 o 123.0067 2.497526  3.785538       4.995051 
1 1 1 7   7  21 o 56.44972 2.922719  9.722561       5.845439 
1 1 1 7   7  22 o 160.9620 2.603707  ?              ?        
1 1 1 7   7  23 o 25.93976 4.561660  -3.413929      9.123320 
1 1 1 7   7  24 o 75.43101 2.809130  7.921158       5.618259 
1 1 1 7   7  25 o 68.29224 2.941855  -6.710159      5.883709 
1 1 1 7   7  26 o 46.66473 3.685400  3.524178       7.370800 
1 1 1 7   7  27 o 76.40881 2.784681  -20.93672      5.569362 
1 1 1 7   7  28 o 38.23975 4.289621  -12.44898      8.579243 
1 1 1 7   7  29 o 60.27821 3.239730  -18.57413      6.479460 
1 1 1 7   7  30 o 13.05238 3.976989  -1.221152      7.953977 
1 1 1 7   7  31 o 44.60198 3.413174  -10.94065      6.826348 
1 1 1 7   7  32 o 39.98241 4.037097  -32.69196      8.074193 
1 1 1 7   8  0  o 214.4619 3.381587  -9.386154      6.763175 
1 1 1 7   8  1  o 164.2700 2.832191  -2.139542      5.664382 
1 1 1 7   8  2  o 413.4475 5.720717  -8.563995      11.44143 
1 1 1 7   8  3  o 263.5813 3.871592  -10.38184      7.743185 
1 1 1 7   8  4  o 20.85387 5.870856  ?              ?        
1 1 1 7   8  5  o 140.2563 3.654488  ?              ?        
1 1 1 7   8  6  o 291.5803 4.225477  ?              ?        
1 1 1 7   8  7  x ?        ?         ?              ?        
1 1 1 7   8  8  o 430.8378 5.955685  ?              ?        
1 1 1 7   8  9  o 39.59465 3.358789  ?              ?        
1 1 1 7   8  10 o 237.9985 5.276121  ?              ?        
1 1 1 7   8  11 o 354.8264 7.191396  ?              ?        
1 1 1 7   8  12 o 100.5146 3.894643  ?              ?        
1 1 1 7   8  13 o 76.18153 2.411468  2.594658       4.822937 
1 1 1 7   8  14 o 84.11240 2.368660  6.865692       4.737320 
1 1 1 7   8  15 o 142.9036 2.833324  -8.895844      5.666647 
1 1 1 7   8  16 o 162.0889 2.968735  -3.245743      5.937471 
1 1 1 7   8  17 o 88.20977 2.393646  0.4089813      4.787292 
1 1 1 7   8  18 o 39.72003 3.538964  -8.539593      7.077928 
1 1 1 7   8  19 o 37.53437 3.107437  ?              ?        
1 1 1 7   8  20 o 62.20145 2.318089  ?              ?        
1 1 1 7   8  21 o 101.5018 2.660535  1.308571       5.321069 
1 1 1 7   8  22 o 69.67962 2.952012  -1.538391      5.904024 
1 1 1 7   8  23 o 36.93130 4.414893  2.193539       8.829785 
1 1 1 7   8  24 o 62.98145 3.631229  4.556942       7.262458 
1 1 1 7   8  25 f 16.96190 5.056730  -3.682384      10.11346 
1 1 1 7   8  26 o 14.80885 4.586655  11.80876       9.173309 
1 1 1 7   8  27 o 60.66270 5.007722  ?              ?        
1 1 1 7   8  28 o 78.19704 2.890132  -12.59800      5.780263 
1 1 1 7   8  29 o 34.59682 4.465307  -16.95815      8.930614 
1 1 1 7   8  30 x ?        ?         ?              ?        
1 1 1 7   8  31 x ?        ?         ?              ?        
1 1 1 7   9  0  f 159.7244 2.962733  -3.738358      5.925465 
1 1 1 7   9  1  o 308.7725 4.476433  5.584839       8.952867 
1 1 1 7   9  2  o 124.3643 2.561461  2.830238       5.122921 
1 1 1 7   9  3  o 215.7718 3.391052  -5.732208      6.782104 
1 1 1 7   9  4  o 183.2967 4.366091  ?              ?        
1 1 1 7   9  5  o 178.9437 4.320951  ?              ?        
1 1 1 7   9  6  o 49.53218 2.927019  ?              ?        
1 1 1 7   9  7  o 129.5882 2.706456  ?              ?        
1 1 1 7   9  8  o 160.7663 2.967301  ?              ?        
1 1 1 7   9  9  o 224.0928 3.555972  ?              ?        
1 1 1 7   9  10 o 109.0462 3.658277  ?              ?        
1 1 1 7   9  11 x ?        ?         ?              ?        
1 1 1 7   9  12 x ?        ?         ?              ?        
1 1 1 7   9  13 o 81.41231 4.112567  ?              ?        
1 1 1 7   9  14 o 113.7001 2.486176  6.491974       4.972353 
1 1 1 7   9  15 o 43.94540 3.106725  -5.918423      6.213449 
1 1 1 7   9  16 o 35.69283 3.755585  ?              ?        
1 1 1 7   9  17 o 86.19503 2.650063  ?              ?        
1 1 1 7   9  18 o 55.64359 3.351031  6.375145       6.702062 
1 1 1 7   9  19 o 100.0887 2.583037  -4.251175      5.166074 
1 1 1 7   9  20 o 26.27032 4.696702  -2.232935      9.393404 
1 1 1 7   9  21 o 95.93146 2.761456  8.912842       5.522912 
1 1 1 7   9  22 o 38.50262 5.456771  -0.5943871     10.91354 
1 1 1 7   9  23 o 110.8574 3.300148  -0.6147385     6.600296 
1 1 1 7   9  24 o 49.98349 3.789349  -2.617058      7.578699 
1 1 1 7   9  25 o 100.0188 2.810847  -2.555862      5.621693 
1 1 1 7   9  26 o 61.47394 3.380506  -12.76711      6.761012 
1 1 1 7   9  27 o 55.25814 3.210571  -10.88783      6.421142 
1 1 1 7   9  28 o 16.85260 4.730266  3.772466       9.460531 
1 1 1 7   9  29 o 51.13458 4.718891  ?              ?        
1 1 1 7   9  30 o 19.46367 6.537255  ?              ?        
1 1 1 7   9  31 f 14.62139 5.933379  ?              ?        
1 1 1 7   10 0  x ?        ?         ?              ?        
1 1 1 7   10 1  o 138.8248 3.968162  ?              ?        
1 1 1 7   10 2  o 197.6351 4.652105  ?              ?        
1 1 1 7   10 3  o 334.4179 6.819022  ?              ?        
1 1 1 7   10 4  o 347.2907 7.047894  ?              ?        
1 1 1 7   10 5  o 204.1967 3.394767  ?              ?        
1 1 1 7   10 6  o 118.2316 2.784467  ?              ?        
1 1 1 7   10 7  o 158.3348 3.013562  ?              ?        
1 1 1 7   10 8  o 130.4708 2.862367  ?              ?        
1 1 1 7   10 9  o 242.7910 3.837976  ?              ?        
1 1 1 7   10 10 o 182.6082 3.262731  ?              ?        
1 1 1 7   10 11 o 83.12126 4.278641  ?              ?        
1 1 1 7   10 12 o 94.35533 4.182406  ?              ?        
1 1 1 7   10 13 o 35.09655 6.708397  ?              ?        
1 1 1 7   10 14 f 96.63682 2.929194  ?              ?        
1 1 1 7   10 15 o 61.43723 2.799646  9.621952       5.599292 
1 1 1 7   10 16 o 102.6223 2.576806  -0.5531693     5.153613 
1 1 1 7   10 17 o 116.2678 4.349998  ?              ?        
1 1 1 7   10 18 o 113.7411 3.075072  1.586304       6.150144 
1 1 1 7   10 19 o 91.28644 2.706579  2.116318       5.413158 
1 1 1 7   10 20 o 93.26231 3.282769  -0.2383041     6.565538 
1 1 1 7   10 21 o 82.39650 2.998669  2.451714       5.997338 
1 1 1 7   10 22 o 123.3081 2.903041  4.534950       5.806082 
1 1 1 7   10 23 x ?        ?         ?              ?        
1 1 1 7   10 24 o 21.47798 5.343334  8.038363       10.68667 
1 1 1 7   10 25 o 62.07192 3.367256  -17.80878      6.734512 
1 1 1 7   10 26 o 75.08018 2.787384  -2.679855      5.574768 
1 1 1 7   10 27 o 38.00917 6.050494  ?              ?        
1 1 1 7   10 28 x ?        ?         ?              ?        
1 1 1 7   10 29 o 35.75177 5.652364  ?              ?        
1 1 1 7   10 30 o 20.56310 4.160517  -13.60073      8.321033 
1 1 1 7   10 31 o 12.01204 3.852836  -1.578049      7.705672 
1 1 1 7   11 0  x ?        ?         ?              ?        
1 1 1 7   11 1  o 101.5113 3.997998  ?              ?        
1 1 1 7   11 2  o 189.0447 3.300108  -6.542618      6.600215 
1 1 1 7   11 3  o 309.4522 6.483271  ?              ?        
1 1 1 7   11 4  o 262.1898 5.747764  ?              ?        
1 1 1 7   11 5  o 135.6776 2.966523  ?              ?        
1 1 1 7   11 6  o 222.0707 3.669683  ?              ?        
1 1 1 7   11 7  o 263.0642 4.081685  ?              ?        
1 1 1 7   11 8  o 131.4499 3.027643  ?              ?        
1 1 1 7   11 9  o 201.8046 3.496038  ?              ?        
1 1 1 7   11 10 o 158.4668 3.123353  ?              ?        
1 1 1 7   11 11 o 15.62642 6.800637  ?              ?        
1 1 1 7   11 12 o 28.73608 7.419183  ?              ?        
1 1 1 7   11 13 o 126.5652 4.302880  ?              ?        
1 1 1 7   11 14 o 29.63482 7.247342  ?              ?        
1 1 1 7   11 15 o 70.95977 4.438859  ?              ?        
1 1 1 7   11 16 o 37.75369 4.290480  0.1021652      8.580960 
1 1 1 7   11 17 o 113.8854 3.125371  2.621803       6.250741 
1 1 1 7   11 18 o 84.12994 2.785514  -2.066612      5.571028 
1 1 1 7   11 19 o 116.1990 2.846164  3.602501       5.692327 
1 1 1 7   11 20 o 97.17534 2.925390  -1.173073      5.850780 
1 1 1 7   11 21 o 88.82732 3.093926  -5.671074      6.187852 
1 1 1 7   11 22 o 141.3019 3.030786  -0.4482117     6.061573 
1 1 1 7   11 23 o 130.7113 3.238479  -9.164619      6.476957 
1 1 1 7   11 24 o 59.39619 3.481023  -2.330090      6.962047 
1 1 1 7   11 25 o 55.77328 3.334377  1.449055       6.668754 
1 1 1 7   11 26 o 50.57616 2.830728  ?              ?        
1 1 1 7   11 27 o 74.72665 4.813205  ?              ?        
1 1 1 7   11 28 o 38.82143 5.064224  ?              ?        
1 1 1 7   11 29 o 29.36843 6.464312  ?              ?        
1 1 1 7   11 30 o 17.06843 6.516578  ?              ?        
1 1 1 7   12 0  o 41.15139 4.799658  -10.49792      9.599316 
1 1 1 7   12 1  o 105.7547 2.976058  5.064415       5.952117 
1 1 1 7   12 2  o 166.5392 3.281512  2.364136       6.563025 
1 1 1 7   12 3  f 258.4786 5.780588  ?              ?        
1 1 1 7   12 4  o 68.83559 4.674117  ?              ?        
1 1 1 7   12 5  o 184.3119 3.368913  ?              ?        
1 1 1 7   12 6  o 171.1792 3.292730  ?              ?        
1 1 1 7   12 7  o 42.68219 4.285380  ?              ?        
1 1 1 7   12 8  o 150.5220 3.160855  ?              ?        
1 1 1 7   12 9  o 309.0890 4.663833  ?              ?        
1 1 1 7   12 10 o 120.2317 2.961525  ?              ?        
1 1 1 7   12 11 o 163.9762 3.214653  ?              ?        
1 1 1 7   12 12 o 41.33105 6.002558  ?              ?        
1 1 1 7   12 13 o 143.7134 4.584773  ?              ?        
1 1 1 7   12 14 o 101.5268 4.393082  ?              ?        
1 1 1 7   12 15 o 96.14620 4.458368  ?              ?        
1 1 1 7   12 16 o 72.00381 2.878762  -5.656204      5.757524 
1 1 1 7   12 17 o 77.37048 2.996103  -4.380470      5.992205 
1 1 1 7   12 18 o 72.52677 3.042213  0.8618774      6.084427 
1 1 1 7   12 19 o 65.91276 3.347271  -4.933208      6.694542 
1 1 1 7   12 20 o 73.61871 3.622010  10.09759       7.244020 
1 1 1 7   12 21 o 87.69632 3.197600  0.7480698      6.395200 
1 1 1 7   12 22 o 122.1153 3.075596  0.4630737      6.151193 
1 1 1 7   12 23 f 69.92221 3.400194  -4.776535      6.800388 
1 1 1 7   12 24 o 16.55801 6.162669  ?              ?        
1 1 1 7   12 25 o 32.49545 4.515768  -1.863997      9.031536 
1 1 1 7   12 26 o 60.03222 5.189444  ?              ?        
1 1 1 7   12 27 o 21.83216 7.160161  ?              ?        
1 1 1 7   12 28 o 20.27058 4.211059  -6.395552      8.422118 
1 1 1 7   12 29 o 20.67215 3.647795  -15.11605      7.295590 
1 1 1 7   12 30 o 11.60791 3.774250  -2.112099      7.548500 
1 1 1 7   13 0  o 303.9454 4.644755  -18.44836      9.289510 
1 1 1 7   13 1  f 327.7405 4.911242  4.838715       9.822484 
1 1 1 7   13 2  o 337.5759 7.114598  ?              ?        
1 1 1 7   13 3  o 324.8752 6.912559  ?              ?        
1 1 1 7   13 4  o 83.96396 4.581676  ?              ?        
1 1 1 7   13 5  o 57.23455 3.568492  ?              ?        
1 1 1 7   13 6  o 170.8150 3.343695  ?              ?        
1 1 1 7   13 7  o 118.7914 3.061462  ?              ?        
1 1 1 7   13 8  o 101.6173 3.038101  ?              ?        
1 1 1 7   13 9  o 73.33838 3.129752  ?              ?        
1 1 1 7   13 10 o 112.8932 3.020121  ?              ?        
1 1 1 7   13 11 o 81.81495 3.057969  ?              ?        
1 1 1 7   13 12 o 121.3906 4.514086  ?              ?        
1 1 1 7   13 13 o 95.01003 4.522357  ?              ?        
1 1 1 7   13 14 o 129.5842 4.606116  ?              ?        
1 1 1 7   13 15 o 119.7187 4.681484  ?              ?        
1 1 1 7   13 16 o 120.4743 4.792516  ?              ?        
1 1 1 7   13 17 o 165.3693 3.718255  -8.802200      7.436509 
1 1 1 7   13 18 o 40.82806 4.690887  2.476372       9.381775 
1 1 1 7   13 19 o 58.13629 3.759541  -6.916718      7.519081 
1 1 1 7   13 20 o 124.3646 3.120222  -9.301872      6.240444 
1 1 1 7   13 21 o 42.40666 4.713649  ?              ?        
1 1 1 7   13 22 o 80.39562 3.302629  2.199814       6.605258 
1 1 1 7   13 23 o 69.88466 3.348726  15.20474       6.697451 
1 1 1 7   13 24 o 46.84599 4.535838  -15.64278      9.071676 
1 1 1 7   13 25 o 53.31938 3.603191  -8.367104      7.206383 
1 1 1 7   13 26 o 22.07924 3.244225  -22.89243      6.488450 
1 1 1 7   13 27 o 20.49384 3.277646  -20.35161      6.555292 
1 1 1 7   13 28 o 28.11149 4.088153  -20.62534      8.176307 
1 1 1 7   13 29 f 23.79736 6.839968  ?              ?        
1 1 1 7   14 0  o 154.3128 3.316804  -3.378479      6.633609 
1 1 1 7   14 1  o 93.73472 4.592273  ?              ?        
1 1 1 7   14 2  o 147.5509 4.666706  ?              ?        
1 1 1 7   14 3  o 143.2597 4.622693  ?              ?        
1 1 1 7   14 4  o 102.3975 3.120757  ?              ?        
1 1 1 7   14 5  o 163.6174 3.348954  ?              ?        
1 1 1 7   14 6  o 77.89530 3.339817  ?              ?        
1 1 1 7   14 7  o 121.4042 3.176550  ?              ?        
1 1 1 7   14 8  o 209.5215 3.731069  ?              ?        
1 1 1 7   14 9  o 53.50265 3.549773  ?              ?        
1 1 1 7   14 10 o 84.70026 3.131286  ?              ?        
1 1 1 7   14 11 o 66.72200 4.432401  ?              ?        
1 1 1 7   14 12 o 143.4969 4.485889  ?              ?        
1 1 1 7   14 13 x ?        ?         ?              ?        
1 1 1 7   14 14 o 36.00322 7.584004  ?              ?        
1 1 1 7   14 15 o 71.96276 5.463182  ?              ?        
1 1 1 7   14 16 o 233.7014 5.940819  ?              ?        
1 1 1 7   14 17 o 24.07452 7.895550  ?              ?        
1 1 1 7   14 18 o 48.62627 5.156552  ?              ?        
1 1 1 7   14 19 o 71.43845 3.664323  -12.42242      7.328647 
1 1 1 7   14 20 o 71.38571 3.661536  1.967651       7.323072 
1 1 1 7   14 21 o 41.57484 4.862088  -6.034832      9.724175 
1 1 1 7   14 22 o 49.25984 4.531281  -7.550442      9.062561 
1 1 1 7   14 23 o 27.86637 5.223684  -4.815336      10.44737 
1 1 1 7   14 24 o 18.71970 5.084364  0.5271549      10.16873 
1 1 1 7   14 25 o 16.66720 4.871071  7.031521       9.742143 
1 1 1 7   14 26 o 37.36467 3.803883  3.105694       7.607766 
1 1 1 7   14 27 o 26.29570 4.075706  1.251438       8.151411 
1 1 1 7   14 28 o 24.61110 4.329036  -0.2327862     8.658072 
1 1 1 7   14 29 o 61.41399 3.518567  -41.89832      7.037135 
1 1 1 7   15 0  o 115.8039 4.565700  ?              ?        
1 1 1 7   15 1  x ?        ?         ?              ?        
1 1 1 7   15 2  o 152.4551 4.795331  ?              ?        
1 1 1 7   15 3  o 142.1848 4.712630  ?              ?        
1 1 1 7   15 4  o 171.9115 3.495756  ?              ?        
1 1 1 7   15 5  o 55.47341 3.747511  ?              ?        
1 1 1 7   15 6  o 115.7858 3.217181  ?              ?        
1 1 1 7   15 7  o 106.7279 3.169649  ?              ?        
1 1 1 7   15 8  o 107.7499 3.150352  ?              ?        
1 1 1 7   15 9  o 106.2154 3.082113  ?              ?        
1 1 1 7   15 10 o 39.53870 4.234681  ?              ?        
1 1 1 7   15 11 f 48.88217 3.833474  ?              ?        
1 1 1 7   15 12 o 200.6974 3.780215  ?              ?        
1 1 1 7   15 13 o 23.14375 8.574424  ?              ?        
1 1 1 7   15 14 o 141.1077 5.129736  ?              ?        
1 1 1 7   15 15 o 41.62527 7.641148  ?              ?        
1 1 1 7   15 16 o 79.95982 5.628335  ?              ?        
1 1 1 7   15 17 o 122.4912 5.190738  ?              ?        
1 1 1 7   15 18 o 90.57579 3.991785  ?              ?        
1 1 1 7   15 19 o 112.8186 3.742675  ?              ?        
1 1 1 7   15 20 o 95.31676 3.334801  2.761772       6.669601 
1 1 1 7   15 21 o 41.23573 4.889592  -2.072937      9.779183 
1 1 1 7   15 22 o 29.39423 5.754112  -16.39952      11.50822 
1 1 1 7   15 23 o 34.28639 5.747018  -16.29459      11.49404 
1 1 1 7   15 24 o 23.49975 4.273153  -13.54477      8.546306 
1 1 1 7   15 25 o 21.19505 4.621209  -5.052439      9.242417 
1 1 1 7   15 26 o 41.19177 3.756687  -10.54766      7.513374 
1 1 1 7   15 27 o 15.10112 4.210110  -2.023080      8.420220 
1 1 1 7   15 28 o 16.78875 4.156340  -3.745911      8.312680 
1 1 1 7   16 0  o 195.1383 5.299370  ?              ?        
1 1 1 7   16 1  o 59.39748 5.250976  ?              ?        
1 1 1 7   16 2  o 40.73191 6.492177  ?              ?        
1 1 1 7   16 3  o 148.7657 4.811788  ?              ?        
1 1 1 7   16 4  o 83.12280 3.306064  ?              ?        
1 1 1 7   16 5  o 37.23466 4.695488  ?              ?        
1 1 1 7   16 6  o 49.08612 3.999470  ?              ?        
1 1 1 7   16 7  o 61.21646 3.532829  ?              ?        
1 1 1 7   16 8  o 94.76433 3.307907  ?              ?        
1 1 1 7   16 9  o 52.14604 3.956833  ?              ?        
1 1 1 7   16 10 o 117.0552 3.325680  ?              ?        
1 1 1 7   16 11 o 119.1090 3.346097  ?              ?        
1 1 1 7   16 12 o 59.01892 3.943753  ?              ?        
1 1 1 7   16 13 o 196.5812 3.865056  ?              ?        
1 1 1 7   16 14 o 46.82223 7.743052  ?              ?        
1 1 1 7   16 15 o 80.02226 5.834073  ?              ?        
1 1 1 7   16 16 o 66.55089 6.603875  ?              ?        
1 1 1 7   16 17 o 132.5858 5.407125  ?              ?        
1 1 1 7   16 18 o 86.79170 5.761116  ?              ?        
1 1 1 7   16 19 o 94.93810 3.875212  ?              ?        
1 1 1 7   16 20 o 38.68100 5.567516  ?              ?        
1 1 1 7   16 21 f 54.78201 4.137477  ?              ?        
1 1 1 7   16 22 o 22.31853 5.516547  4.437468       11.03309 
1 1 1 7   16 23 o 87.05774 3.454538  8.446678       6.909076 
1 1 1 7   16 24 o 16.31900 4.680449  -4.845588      9.360897 
1 1 1 7   16 25 o 26.30421 4.232148  -14.42090      8.464296 
1 1 1 7   16 26 o 28.60163 4.141375  -13.77508      8.282749 
1 1 1 7   16 27 o 14.91395 5.433197  ?              ?        
1 1 1 7   17 0  o 61.12965 5.335572  ?              ?        
1 1 1 7   17 1  o 122.7440 4.661489  ?              ?        
1 1 1 7   17 2  o 84.14339 4.641984  ?              ?        
1 1 1 7   17 3  f 103.2021 3.239369  ?              ?        
1 1 1 7   17 4  o 39.54840 4.307930  ?              ?        
1 1 1 7   17 5  o 112.5153 3.287682  ?              ?        
1 1 1 7   17 6  o 52.35446 4.104913  ?              ?        
1 1 1 7   17 7  o 72.38137 3.537586  ?              ?        
1 1 1 7   17 8  o 52.01040 4.120000  ?              ?        
1 1 1 7   17 9  o 153.0005 3.546393  ?              ?        
1 1 1 7   17 10 o 56.91697 4.104097  ?              ?        
1 1 1 7   17 11 o 87.10040 3.563209  ?              ?        
1 1 1 7   17 12 o 99.66519 3.571573  ?              ?        
1 1 1 7   17 13 o 148.8767 3.668283  ?              ?        
1 1 1 7   17 14 o 21.00444 7.509526  ?              ?        
1 1 1 7   17 15 o 22.63115 9.014312  ?              ?        
1 1 1 7   17 16 o 153.4488 5.593944  ?              ?        
1 1 1 7   17 17 o 19.57808 8.691958  ?              ?        
1 1 1 7   17 18 o 111.7140 3.932649  ?              ?        
1 1 1 7   17 19 o 51.09346 4.935194  ?              ?        
1 1 1 7   17 20 f 45.78338 6.808877  ?              ?        
1 1 1 7   17 21 o 40.09099 4.901376  ?              ?        
1 1 1 7   17 22 o 75.74970 3.285178  ?              ?        
1 1 1 7   17 23 o 34.47764 4.686312  4.091660       9.372623 
1 1 1 7   17 24 o 19.96456 5.667929  ?              ?        
1 1 1 7   17 25 o 17.89789 4.339973  -0.9028435E-01 8.679946 
1 1 1 7   17 26 o 41.22315 3.426341  -8.003986      6.852682 
1 1 1 7   18 0  o 55.39365 5.892382  ?              ?        
1 1 1 7   18 1  o 164.1318 5.043746  ?              ?        
1 1 1 7   18 2  o 42.01218 6.259650  ?              ?        
1 1 1 7   18 3  o 60.11433 3.841148  ?              ?        
1 1 1 7   18 4  x ?        ?         ?              ?        
1 1 1 7   18 5  f 87.13501 3.503380  ?              ?        
1 1 1 7   18 6  o 68.82702 3.857912  ?              ?        
1 1 1 7   18 7  o 119.5334 3.478458  ?              ?        
1 1 1 7   18 8  o 34.79180 5.730029  ?              ?        
1 1 1 7   18 9  o 87.14606 3.699474  ?              ?        
1 1 1 7   18 10 o 54.91578 4.598583  ?              ?        
1 1 1 7   18 11 x ?        ?         ?              ?        
1 1 1 7   18 12 o 51.78937 4.591599  ?              ?        
1 1 1 7   18 13 o 34.27495 6.567227  ?              ?        
1 1 1 7   18 14 o 73.55797 4.094482  ?              ?        
1 1 1 7   18 15 o 145.9904 5.162063  ?              ?        
1 1 1 7   18 16 x ?        ?         ?              ?        
1 1 1 7   18 17 o 16.57756 7.773511  ?              ?        
1 1 1 7   18 18 o 42.27652 8.202836  ?              ?        
1 1 1 7   18 19 o 17.62975 7.079117  ?              ?        
1 1 1 7   18 20 o 25.55320 6.453905  ?              ?        
1 1 1 7   18 21 o 20.96483 6.701050  ?              ?        
1 1 1 7   18 22 o 46.27966 3.732363  ?              ?        
1 1 1 7   18 23 o 11.79213 5.109370  ?              ?        
1 1 1 7   18 24 o 24.89230 4.993649  ?              ?        
1 1 1 7   18 25 x ?        ?         ?              ?        
1 1 1 7   19 0  o 77.02753 5.362858  ?              ?        
1 1 1 7   19 1  o 137.2451 5.066496  ?              ?        
1 1 1 7   19 2  o 123.9473 3.518018  ?              ?        
1 1 1 7   19 3  o 106.5452 3.549993  ?              ?        
1 1 1 7   19 4  o 51.59907 4.273694  ?              ?        
1 1 1 7   19 5  o 48.89974 4.394809  ?              ?        
1 1 1 7   19 6  o 63.77875 4.054167  ?              ?        
1 1 1 7   19 7  o 24.43150 8.572335  ?              ?        
1 1 1 7   19 8  o 35.56543 8.392169  ?              ?        
1 1 1 7   19 9  o 39.90805 7.544217  ?              ?        
1 1 1 7   19 10 o 99.74345 5.181983  ?              ?        
1 1 1 7   19 11 o 71.27501 5.662838  ?              ?        
1 1 1 7   19 12 o 40.32212 5.605066  ?              ?        
1 1 1 7   19 13 o 56.73182 4.667346  ?              ?        
1 1 1 7   19 14 o 33.63198 6.949592  ?              ?        
1 1 1 7   19 15 o 26.60642 7.468487  ?              ?        
1 1 1 7   19 16 o 67.16778 7.110982  ?              ?        
1 1 1 7   19 17 o 119.2299 5.493649  ?              ?        
1 1 1 7   19 18 o 57.68995 6.206990  ?              ?        
1 1 1 7   19 19 o 20.45350 8.237677  ?              ?        
1 1 1 7   19 20 o 29.37927 5.763789  ?              ?        
1 1 1 7   19 21 o 24.03091 6.320382  ?              ?        
1 1 1 7   19 22 o 13.88531 5.743614  ?              ?        
1 1 1 7   19 23 o 59.98377 3.198966  ?              ?        
1 1 1 7   19 24 o 34.37913 4.105038  ?              ?        
1 1 1 7   20 0  x ?        ?         ?              ?        
1 1 1 7   20 1  x ?        ?         ?              ?        
1 1 1 7   20 2  o 110.4719 5.138936  ?              ?        
1 1 1 7   20 3  o 19.11488 8.065903  ?              ?        
1 1 1 7   20 4  o 80.81906 3.837418  ?              ?        
1 1 1 7   20 5  o 59.83255 4.350621  ?              ?        
1 1 1 7   20 6  o 40.95490 5.672078  ?              ?        
1 1 1 7   20 7  o 18.02391 7.271002  ?              ?        
1 1 1 7   20 8  o 59.27355 4.511503  ?              ?        
1 1 1 7   20 9  o 82.00932 4.124501  ?              ?        
1 1 1 7   20 10 o 55.24912 4.881602  ?              ?        
1 1 1 7   20 11 o 126.8525 3.838203  ?              ?        
1 1 1 7   20 12 o 65.18297 4.475665  ?              ?        
1 1 1 7   20 13 o 83.83627 6.004952  ?              ?        
1 1 1 7   20 14 f 62.54401 7.024972  ?              ?        
1 1 1 7   20 15 o 12.27822 6.090548  ?              ?        
1 1 1 7   20 16 o 66.07090 6.559733  ?              ?        
1 1 1 7   20 17 o 63.65250 4.095365  ?              ?        
1 1 1 7   20 18 o 32.99450 7.827246  ?              ?        
1 1 1 7   20 19 x ?        ?         ?              ?        
1 1 1 7   20 20 o 66.13907 3.589840  ?              ?        
1 1 1 7   20 21 o 17.00385 7.079932  ?              ?        
1 1 1 7   20 22 o 25.78405 7.003678  ?              ?        
1 1 1 7   20 23 o 12.65311 5.299419  ?              ?        
1 1 1 7   21 0  f 31.22582 9.240273  ?              ?        
1 1 1 7   21 1  o 44.61828 5.122746  ?              ?        
1 1 1 7   21 2  o 75.41269 4.092874  ?              ?        
1 1 1 7   21 3  o 162.2229 3.874664  ?              ?        
1 1 1 7   21 4  o 71.19631 4.202262  ?              ?        
1 1 1 7   21 5  o 67.61040 4.267035  ?              ?        
1 1 1 7   21 6  o 67.34573 4.266226  ?              ?        
1 1 1 7   21 7  o 180.8292 4.032009  ?              ?        
1 1 1 7   21 8  o 105.1309 3.991841  ?              ?        
1 1 1 7   21 9  o 120.3882 3.952116  ?              ?        
1 1 1 7   21 10 o 111.9448 3.975179  ?              ?        
1 1 1 7   21 11 o 26.77369 7.303997  ?              ?        
1 1 1 7   21 12 o 86.42206 3.990813  ?              ?        
1 1 1 7   21 13 o 16.60853 6.988541  ?              ?        
1 1 1 7   21 14 o 67.83760 4.243566  ?              ?        
1 1 1 7   21 15 o 58.17864 4.457127  ?              ?        
1 1 1 7   21 16 o 21.64824 7.199363  ?              ?        
1 1 1 7   21 17 o 22.92502 6.596209  ?              ?        
1 1 1 7   21 18 o 12.62089 5.517508  ?              ?        
1 1 1 7   21 19 o 22.66789 7.243779  ?              ?        
1 1 1 7   21 20 o 56.78114 3.705733  ?              ?        
1 1 1 7   21 21 o 22.49317 6.276782  ?              ?        
1 1 1 7   21 22 o 14.99629 6.744284  ?              ?        
1 1 1 7   22 0  o 101.5054 3.916681  ?              ?        
1 1 1 7   22 1  o 161.8729 3.983069  ?              ?        
1 1 1 7   22 2  o 170.9289 4.009514  ?              ?        
1 1 1 7   22 3  o 57.84255 4.848825  ?              ?        
1 1 1 7   22 4  o 107.0830 3.939846  ?              ?        
1 1 1 7   22 5  o 69.32759 4.467683  ?              ?        
1 1 1 7   22 6  o 59.36787 4.774058  ?              ?        
1 1 1 7   22 7  o 105.3283 4.008242  ?              ?        
1 1 1 7   22 8  o 76.50307 4.421474  ?              ?        
1 1 1 7   22 9  o 19.59841 7.577407  ?              ?        
1 1 1 7   22 10 o 86.40057 4.048061  ?              ?        
1 1 1 7   22 11 o 45.29932 5.225061  ?              ?        
1 1 1 7   22 12 x ?        ?         ?              ?        
1 1 1 7   22 13 o 38.84546 5.626889  ?              ?        
1 1 1 7   22 14 x ?        ?         ?              ?        
1 1 1 7   22 15 o 18.93218 7.760024  ?              ?        
1 1 1 7   22 16 o 37.89666 4.455479  ?              ?        
1 1 1 7   22 17 o 15.32880 6.118964  ?              ?        
1 1 1 7   22 18 o 31.19749 6.265776  ?              ?        
1 1 1 7   22 19 o 30.17910 4.641956  ?              ?        
1 1 1 7   22 20 f 14.83766 5.178502  ?              ?        
1 1 1 7   22 21 o 10.45927 4.786454  ?              ?        
1 1 1 7   23 0  o 89.01767 4.240016  ?              ?        
1 1 1 7   23 1  o 91.46587 4.167849  ?              ?        
1 1 1 7   23 2  o 39.42011 6.405852  ?              ?        
1 1 1 7   23 3  o 35.22496 7.140995  ?              ?        
1 1 1 7   23 4  o 24.20681 7.970250  ?              ?        
1 1 1 7   23 5  o 44.79743 5.464233  ?              ?        
1 1 1 7   23 6  o 14.98178 6.696284  ?              ?        
1 1 1 7   23 7  o 84.21552 4.199260  ?              ?        
1 1 1 7   23 8  o 25.74243 7.524914  ?              ?        
1 1 1 7   23 9  o 74.89944 4.081707  ?              ?        
1 1 1 7   23 10 o 27.18196 7.046769  ?              ?        
1 1 1 7   23 11 o 23.07171 8.291618  ?              ?        
1 1 1 7   23 12 o 17.67145 7.398809  ?              ?        
1 1 1 7   23 13 o 51.37092 5.959454  ?              ?        
1 1 1 7   23 14 o 41.74860 4.265116  ?              ?        
1 1 1 7   23 15 o 47.44878 3.764651  ?              ?        
1 1 1 7   23 16 o 15.23100 5.656002  ?              ?        
1 1 1 7   23 17 o 25.75340 5.203698  ?              ?        
1 1 1 7   23 18 f 39.43230 3.902433  ?              ?        
1 1 1 7   23 19 o 13.22659 5.344868  ?              ?        
1 1 1 7   23 20 f 11.54336 4.956654  ?              ?        
1 1 1 7   24 0  o 101.2795 4.107005  ?              ?        
1 1 1 7   24 1  f 46.16148 5.458360  ?              ?        
1 1 1 7   24 2  o 137.2890 3.978040  ?              ?        
1 1 1 7   24 3  o 22.48375 7.658193  ?              ?        
1 1 1 7   24 4  o 87.43543 4.021109  ?              ?        
1 1 1 7   24 5  o 13.68285 6.214794  ?              ?        
1 1 1 7   24 6  o 18.95777 7.176635  ?              ?        
1 1 1 7   24 7  f 45.50687 4.883595  ?              ?        
1 1 1 7   24 8  f 14.90877 6.180676  ?              ?        
1 1 1 7   24 9  o 45.35405 4.477688  ?              ?        
1 1 1 7   24 10 o 28.16506 6.034582  ?              ?        
1 1 1 7   24 11 o 35.33281 4.935950  ?              ?        
1 1 1 7   24 12 o 14.64770 5.971901  ?              ?        
1 1 1 7   24 13 o 50.24376 3.714628  ?              ?        
1 1 1 7   24 14 x ?        ?         ?              ?        
1 1 1 7   24 15 o 16.15282 5.717728  ?              ?        
1 1 1 7   24 16 o 15.47482 5.563749  ?              ?        
1 1 1 7   24 17 o 14.86978 6.492857  ?              ?        
1 1 1 7   24 18 o 16.40503 6.661408  ?              ?        
1 1 1 7   25 0  o 25.49908 7.538361  ?              ?        
1 1 1 7   25 1  o 74.98831 4.092474  ?              ?        
1 1 1 7   25 2  o 59.51997 4.375745  ?              ?        
1 1 1 7   25 3  o 31.79398 6.220164  ?              ?        
1 1 1 7   25 4  o 45.09152 4.761116  ?              ?        
1 1 1 7   25 5  o 27.44921 6.385665  ?              ?        
1 1 1 7   25 6  o 24.44677 6.333590  ?              ?        
1 1 1 7   25 7  o 23.61801 6.512214  ?              ?        
1 1 1 7   25 8  o 32.33930 5.290510  ?              ?        
1 1 1 7   25 9  o 13.92527 5.907437  ?              ?        
1 1 1 7   25 10 o 32.62525 5.031466  ?              ?        
1 1 1 7   25 11 o 21.81727 5.729743  ?              ?        
1 1 1 7   25 12 o 26.04623 5.012080  ?              ?        
1 1 1 7   25 13 o 15.95623 5.500155  ?              ?        
1 1 1 7   25 14 o 13.95465 5.998445  ?              ?        
1 1 1 7   25 15 o 20.62961 5.676729  ?              ?        
1 1 1 7   25 16 f 23.47135 5.305077  ?              ?        
1 1 1 7   26 0  o 13.56890 6.040788  ?              ?        
1 1 1 7   26 1  o 62.06623 4.126325  ?              ?        
1 1 1 7   26 2  o 36.97778 5.032133  ?              ?        
1 1 1 7   26 3  o 21.18776 6.631609  ?              ?        
1 1 1 7   26 4  o 48.91735 4.209442  ?              ?        
1 1 1 7   26 5  o 20.89140 6.678191  ?              ?        
1 1 1 7   26 6  o 42.11248 4.531504  ?              ?        
1 1 1 7   26 7  o 41.66454 4.088954  ?              ?        
1 1 1 7   26 8  o 32.35042 4.178522  ?              ?        
1 1 1 7   26 9  o 14.08379 5.314726  ?              ?        
1 1 1 7   26 10 o 13.86839 5.372752  ?              ?        
1 1 1 7   26 11 o 47.15691 3.350032  ?              ?        
1 1 1 7   26 12 o 29.38685 4.268689  ?              ?        
1 1 1 7   26 13 o 11.66138 4.913277  ?              ?        
1 1 1 7   26 14 o 18.22395 5.649685  ?              ?        
1 1 1 7   27 0  o 21.03441 6.250599  ?              ?        
1 1 1 7   27 1  o 33.78897 4.761236  ?              ?        
1 1 1 7   27 2  o 11.61709 5.154582  ?              ?        
1 1 1 7   27 3  o 30.69839 4.160773  ?              ?        
1 1 1 7   27 4  o 24.61805 5.074898  ?              ?        
1 1 1 7   27 5  o 10.51724 4.680087  ?              ?        
1 1 1 7   27 6  o 50.36100 3.390245  ?              ?        
1 1 1 7   27 7  o 19.67728 5.459776  ?              ?        
1 1 1 7   27 8  o 8.619339 4.073843  ?              ?        
1 1 1 7   27 9  o 43.88848 3.547044  ?              ?        
1 1 1 7   27 10 o 17.30904 6.743404  ?              ?        
1 1 1 7   27 11 o 18.56318 6.862114  ?              ?        
1 1 1 7   27 12 o 19.73769 6.575806  ?              ?        
1 1 1 7   28 0  x ?        ?         ?              ?        
1 1 1 7   28 1  x ?        ?         ?              ?        
1 1 1 7   28 2  o 11.16725 5.240652  ?              ?        
1 1 1 7   28 3  o 48.47779 4.890404  ?              ?        
1 1 1 7   28 4  o 38.54116 5.378629  ?              ?        
1 1 1 7   28 5  o 17.43727 6.571117  ?              ?        
1 1 1 7   28 6  o 14.49526 5.966794  ?              ?        
1 1 1 7   28 7  o 32.05300 6.328614  ?              ?        
1 1 1 7   28 8  o 16.12222 6.591372  ?              ?        
1 1 1 7   28 9  o 32.11805 6.595379  ?              ?        
1 1 1 7   29 0  x ?        ?         ?              ?        
1 1 1 7   29 1  x ?        ?         ?              ?        
1 1 1 7   29 2  x ?        ?         ?              ?        
1 1 1 7   29 3  x ?        ?         ?              ?        
1 1 1 7   29 4  x ?        ?         ?              ?        
1 1 1 8   0  0  x ?        ?         ?              ?        
1 1 1 8   0  1  o 57.94349 1.212180  -0.000000      0.000000 
1 1 1 8   0  2  o 76.98375 1.336888  -0.000000      0.000000 
1 1 1 8   0  3  o 338.2900 4.531702  -0.000000      0.000000 
1 1 1 8   0  4  x ?        ?         ?              ?        
1 1 1 8   0  5  o 141.5752 2.815681  -0.000000      0.000000 
1 1 1 8   0  6  x ?        ?         ?              ?        
1 1 1 8   0  7  x ?        ?         ?              ?        
1 1 1 8   0  8  x ?        ?         ?              ?        
1 1 1 8   0  9  x ?        ?         ?              ?        
1 1 1 8   0  10 x ?        ?         ?              ?        
1 1 1 8   0  11 x ?        ?         ?              ?        
1 1 1 8   0  12 o 348.0628 4.690699  -0.000000      0.000000 
1 1 1 8   0  13 o 188.4425 2.676492  -0.000000      0.000000 
1 1 1 8   0  14 o 65.95347 1.687175  -0.000000      0.000000 
1 1 1 8   0  15 o 114.9712 1.961913  -0.000000      0.000000 
1 1 1 8   0  16 o 261.4920 3.654517  -0.000000      0.000000 
1 1 1 8   0  17 o 62.20177 1.849326  -0.000000      0.000000 
1 1 1 8   0  18 x ?        ?         ?              ?        
1 1 1 8   0  19 o 77.55164 1.987855  -0.000000      0.000000 
1 1 1 8   0  20 o 86.97624 2.825012  -0.000000      0.000000 
1 1 1 8   0  21 o 58.64664 2.302534  -0.000000      0.000000 
1 1 1 8   0  22 o 36.91113 3.196723  -0.000000      0.000000 
1 1 1 8   0  23 o 75.48927 2.468238  -0.000000      0.000000 
1 1 1 8   0  24 o 113.3667 2.579249  -0.000000      0.000000 
1 1 1 8   0  25 o 146.4171 2.847716  -0.000000      0.000000 
1 1 1 8   0  26 o 81.63155 2.648978  -0.000000      0.000000 
1 1 1 8   0  27 o 83.80533 2.556746  -0.000000      0.000000 
1 1 1 8   0  28 o 10.04315 6.304481  -0.000000      0.000000 
1 1 1 8   0  29 o 68.22944 2.446718  -0.000000      0.000000 
1 1 1 8   0  30 o 30.96857 3.349137  -0.000000      0.000000 
1 1 1 8   0  31 o 18.09797 7.966375  -0.000000      0.000000 
1 1 1 8   0  32 x ?        ?         ?              ?        
1 1 1 8   1  0  x ?        ?         ?              ?        
1 1 1 8   1  1  o 77.56792 1.028686  7.458931       2.057372 
1 1 1 8   1  2  o 190.8924 1.893937  -6.482834      3.787875 
1 1 1 8   1  3  o 294.8279 3.943778  ?              ?        
1 1 1 8   1  4  o 164.7176 1.944268  -15.91626      3.888535 
1 1 1 8   1  5  o 286.0206 3.272391  -12.52982      6.544782 
1 1 1 8   1  6  o 265.6177 5.077477  ?              ?        
1 1 1 8   1  7  x ?        ?         ?              ?        
1 1 1 8   1  8  o 270.5540 3.662772  ?              ?        
1 1 1 8   1  9  o 255.3857 4.874726  ?              ?        
1 1 1 8   1  10 o 218.3520 4.161844  ?              ?        
1 1 1 8   1  11 o 265.1102 5.011053  ?              ?        
1 1 1 8   1  12 o 224.7145 2.653175  -7.992142      5.306349 
1 1 1 8   1  13 o 168.1261 2.148542  2.135300       4.297083 
1 1 1 8   1  14 o 108.6278 1.328757  -0.7668381     2.657513 
1 1 1 8   1  15 o 71.51445 1.227361  1.194153       2.454723 
1 1 1 8   1  16 o 145.8400 1.632855  -1.792770      3.265709 
1 1 1 8   1  17 o 140.4754 2.039315  -0.9498749     4.078630 
1 1 1 8   1  18 o 38.93258 2.369442  1.698303       4.738884 
1 1 1 8   1  19 o 54.13089 1.501588  0.1577759E-01  3.003175 
1 1 1 8   1  20 o 35.06433 2.669234  -5.049332      5.338467 
1 1 1 8   1  21 o 78.28810 1.765290  6.370728       3.530580 
1 1 1 8   1  22 o 128.5206 1.773025  0.1759186      3.546050 
1 1 1 8   1  23 o 39.12971 2.494007  -5.691456      4.988014 
1 1 1 8   1  24 o 101.4564 1.821296  -0.5015717     3.642592 
1 1 1 8   1  25 o 50.75581 2.240971  3.524681       4.481941 
1 1 1 8   1  26 o 60.83834 2.083203  -0.9475021     4.166405 
1 1 1 8   1  27 o 15.85456 3.899881  -4.522755      7.799763 
1 1 1 8   1  28 o 30.10100 3.695495  8.325785       7.390990 
1 1 1 8   1  29 o 33.04799 3.467569  ?              ?        
1 1 1 8   1  30 o 20.26791 3.275876  -14.34050      6.551753 
1 1 1 8   1  31 o 24.68921 3.778591  -10.83462      7.557182 
1 1 1 8   1  32 x ?        ?         ?              ?        
1 1 1 8   2  0  o 44.89627 2.403831  ?              ?        
1 1 1 8   2  1  o 240.1725 2.391013  -0.1793518     4.782027 
1 1 1 8   2  2  o 131.1546 1.492862  -11.22273      2.985724 
1 1 1 8   2  3  o 182.9211 2.273618  -1.109818      4.547236 
1 1 1 8   2  4  o 171.0200 2.101836  -8.839386      4.203672 
1 1 1 8   2  5  o 318.2306 3.622636  -19.45514      7.245271 
1 1 1 8   2  6  o 63.18401 1.312336  ?              ?        
1 1 1 8   2  7  o 196.1253 2.720956  ?              ?        
1 1 1 8   2  8  o 635.8226 12.03684  ?              ?        
1 1 1 8   2  9  o 184.0730 3.712584  ?              ?        
1 1 1 8   2  10 o 18.76640 4.171432  ?              ?        
1 1 1 8   2  11 o 46.16105 1.050821  ?              ?        
1 1 1 8   2  12 f 128.5215 1.764867  -6.675301      3.529733 
1 1 1 8   2  13 o 113.0674 1.703858  -1.143860      3.407716 
1 1 1 8   2  14 o 179.9928 2.304747  -4.988251      4.609495 
1 1 1 8   2  15 o 61.29528 1.704137  -2.785404      3.408273 
1 1 1 8   2  16 o 33.93472 2.634014  -3.304195      5.268028 
1 1 1 8   2  17 o 90.12315 1.739696  -0.9847717     3.479393 
1 1 1 8   2  18 o 125.5203 2.180515  8.170784       4.361029 
1 1 1 8   2  19 o 97.90204 1.958975  2.747032       3.917949 
1 1 1 8   2  20 o 70.39587 1.545821  -1.992622      3.091642 
1 1 1 8   2  21 o 91.91219 1.783759  -2.083618      3.567519 
1 1 1 8   2  22 o 63.79997 1.779530  -3.001465      3.559060 
1 1 1 8   2  23 o 70.43369 1.846916  -0.1381454     3.693832 
1 1 1 8   2  24 o 64.74031 2.047818  -5.097912      4.095636 
1 1 1 8   2  25 o 53.53114 2.252529  0.4896164      4.505059 
1 1 1 8   2  26 o 47.20258 2.382795  -5.110676      4.765590 
1 1 1 8   2  27 o 31.67147 3.795559  6.543909       7.591118 
1 1 1 8   2  28 o 42.15815 2.257041  -3.342709      4.514083 
1 1 1 8   2  29 o 18.95420 5.363978  ?              ?        
1 1 1 8   2  30 o 25.28795 3.679473  6.697227       7.358947 
1 1 1 8   2  31 o 57.34034 2.364556  -17.76079      4.729113 
1 1 1 8   2  32 x ?        ?         ?              ?        
1 1 1 8   3  0  o 52.77471 1.526823  -5.602325      3.053647 
1 1 1 8   3  1  o 190.9311 2.857865  -2.666321      5.715730 
1 1 1 8   3  2  o 63.09066 1.467710  0.9084969      2.935421 
1 1 1 8   3  3  o 90.88129 1.509439  -7.892860      3.018878 
1 1 1 8   3  4  o 263.4011 3.107592  -13.26807      6.215183 
1 1 1 8   3  5  o 308.1220 4.208894  -17.50433      8.417789 
1 1 1 8   3  6  o 265.3885 5.143330  ?              ?        
1 1 1 8   3  7  o 140.8656 2.160904  ?              ?        
1 1 1 8   3  8  o 110.9775 1.859049  ?              ?        
1 1 1 8   3  9  o 145.4767 1.792551  ?              ?        
1 1 1 8   3  10 o 114.1618 1.500004  ?              ?        
1 1 1 8   3  11 o 66.64165 1.694525  ?              ?        
1 1 1 8   3  12 o 39.29615 1.330220  ?              ?        
1 1 1 8   3  13 o 106.2196 1.738556  -8.687057      3.477111 
1 1 1 8   3  14 o 177.5050 2.645247  -7.772217      5.290493 
1 1 1 8   3  15 o 173.9465 2.411063  9.162964       4.822125 
1 1 1 8   3  16 o 46.35312 2.037711  1.238098       4.075422 
1 1 1 8   3  17 o 136.7969 2.129483  ?              ?        
1 1 1 8   3  18 o 253.5178 3.338232  11.50185       6.676463 
1 1 1 8   3  19 o 102.9772 2.014125  0.2799225E-01  4.028251 
1 1 1 8   3  20 o 72.32753 2.133334  -0.1733475     4.266669 
1 1 1 8   3  21 o 24.74168 3.690008  7.302296       7.380017 
1 1 1 8   3  22 o 45.69809 2.738724  2.060322       5.477448 
1 1 1 8   3  23 o 179.1965 2.724177  3.269562       5.448354 
1 1 1 8   3  24 o 40.07703 2.530586  8.918701       5.061171 
1 1 1 8   3  25 o 66.27460 2.044612  -0.1921158     4.089224 
1 1 1 8   3  26 o 81.34411 3.512436  ?              ?        
1 1 1 8   3  27 o 60.78737 1.991387  0.1112518      3.982775 
1 1 1 8   3  28 o 41.10524 5.294155  ?              ?        
1 1 1 8   3  29 o 21.97846 3.830304  -5.627934      7.660608 
1 1 1 8   3  30 o 30.15924 3.467159  ?              ?        
1 1 1 8   3  31 o 12.54144 3.598387  2.842749       7.196774 
1 1 1 8   3  32 x ?        ?         ?              ?        
1 1 1 8   4  0  o 158.6324 2.537586  -4.625473      5.075172 
1 1 1 8   4  1  o 68.12050 1.640479  1.724792       3.280957 
1 1 1 8   4  2  o 247.7535 3.598629  -13.02559      7.197258 
1 1 1 8   4  3  o 204.9140 2.986857  -6.939850      5.973714 
1 1 1 8   4  4  o 131.3507 2.160604  3.568970       4.321208 
1 1 1 8   4  5  o 112.4218 1.957257  0.1091766      3.914515 
1 1 1 8   4  6  o 322.8748 6.235371  ?              ?        
1 1 1 8   4  7  o 64.72184 2.307598  ?              ?        
1 1 1 8   4  8  o 320.6469 6.192788  ?              ?        
1 1 1 8   4  9  o 389.2970 7.448188  ?              ?        
1 1 1 8   4  10 o 202.3636 2.917083  ?              ?        
1 1 1 8   4  11 f 90.76845 1.776392  ?              ?        
1 1 1 8   4  12 o 167.4338 2.521609  ?              ?        
1 1 1 8   4  13 o 69.78225 1.819192  -2.011368      3.638384 
1 1 1 8   4  14 o 147.1149 2.157256  1.714279       4.314512 
1 1 1 8   4  15 f 98.53483 1.749246  ?              ?        
1 1 1 8   4  16 x ?        ?         ?              ?        
1 1 1 8   4  17 o 63.04038 1.955528  -7.689606      3.911055 
1 1 1 8   4  18 o 113.3918 2.025266  -2.442604      4.050532 
1 1 1 8   4  19 o 143.5629 2.598461  -0.6817474     5.196922 
1 1 1 8   4  20 o 125.3092 2.232646  -2.758873      4.465291 
1 1 1 8   4  21 o 178.2767 2.669148  2.615631       5.338296 
1 1 1 8   4  22 o 36.73472 3.280021  1.810585       6.560042 
1 1 1 8   4  23 o 63.39963 2.579578  1.404213       5.159156 
1 1 1 8   4  24 o 52.39829 2.888812  -0.5361710     5.777624 
1 1 1 8   4  25 o 98.54723 2.866394  -0.7261353     5.732788 
1 1 1 8   4  26 o 29.08047 4.323776  -2.056740      8.647552 
1 1 1 8   4  27 o 59.84867 2.668801  -15.45656      5.337601 
1 1 1 8   4  28 o 30.72068 2.998801  ?              ?        
1 1 1 8   4  29 o 38.17568 4.447892  ?              ?        
1 1 1 8   4  30 o 31.57741 4.518020  ?              ?        
1 1 1 8   4  31 o 23.14463 4.281145  -0.9503727     8.562290 
1 1 1 8   4  32 x ?        ?         ?              ?        
1 1 1 8   5  0  o 112.6726 1.921566  -6.696655      3.843131 
1 1 1 8   5  1  o 288.3814 4.119812  ?              ?        
1 1 1 8   5  2  o 146.3030 2.425724  -2.489517      4.851448 
1 1 1 8   5  3  o 60.54548 1.902985  2.560043       3.805969 
1 1 1 8   5  4  o 283.4738 5.628732  ?              ?        
1 1 1 8   5  5  o 418.0709 8.035736  ?              ?        
1 1 1 8   5  6  o 163.8609 3.610668  ?              ?        
1 1 1 8   5  7  o 81.75753 1.941065  ?              ?        
1 1 1 8   5  8  o 450.6580 6.108462  ?              ?        
1 1 1 8   5  9  o 67.47015 2.047962  ?              ?        
1 1 1 8   5  10 o 135.5614 2.387932  ?              ?        
1 1 1 8   5  11 o 189.2931 2.382173  ?              ?        
1 1 1 8   5  12 o 70.15800 2.230001  ?              ?        
1 1 1 8   5  13 o 268.5900 3.808400  ?              ?        
1 1 1 8   5  14 o 135.5835 2.132093  -6.463913      4.264186 
1 1 1 8   5  15 o 114.5111 2.061771  4.940575       4.123541 
1 1 1 8   5  16 o 12.11027 3.327331  -0.5667400E-01 6.654661 
1 1 1 8   5  17 o 60.58973 2.011452  9.128471       4.022903 
1 1 1 8   5  18 o 72.49803 2.419889  0.1153183      4.839778 
1 1 1 8   5  19 o 55.44043 2.266846  4.502350       4.533692 
1 1 1 8   5  20 f 89.65881 2.209466  -3.613579      4.418931 
1 1 1 8   5  21 o 111.7507 2.314599  -4.001968      4.629198 
1 1 1 8   5  22 o 107.5276 2.391113  -0.9229889     4.782225 
1 1 1 8   5  23 o 111.1487 2.682135  5.069092       5.364269 
1 1 1 8   5  24 o 129.8103 2.866841  -11.28405      5.733683 
1 1 1 8   5  25 o 42.98848 3.384758  0.7523537      6.769516 
1 1 1 8   5  26 o 84.03040 2.053213  ?              ?        
1 1 1 8   5  27 o 20.95857 4.212056  -3.819778      8.424111 
1 1 1 8   5  28 o 12.89721 3.937907  7.770604       7.875813 
1 1 1 8   5  29 o 63.70049 2.390913  -20.27221      4.781825 
1 1 1 8   5  30 o 67.96557 2.753475  -44.16577      5.506950 
1 1 1 8   5  31 o 40.43475 4.253495  ?              ?        
1 1 1 8   5  32 x ?        ?         ?              ?        
1 1 1 8   6  0  o 115.2221 2.291516  -1.396225      4.583032 
1 1 1 8   6  1  o 201.7582 3.103106  -7.328140      6.206212 
1 1 1 8   6  2  o 196.4538 3.036498  7.680756       6.072996 
1 1 1 8   6  3  o 166.6146 3.794501  ?              ?        
1 1 1 8   6  4  o 117.5716 3.132352  ?              ?        
1 1 1 8   6  5  o 374.4210 7.295856  ?              ?        
1 1 1 8   6  6  o 195.1857 4.209284  ?              ?        
1 1 1 8   6  7  o 205.4331 3.127179  ?              ?        
1 1 1 8   6  8  o 116.7165 2.301969  ?              ?        
1 1 1 8   6  9  o 259.5544 3.767077  ?              ?        
1 1 1 8   6  10 o 93.16496 2.284906  ?              ?        
1 1 1 8   6  11 o 109.2413 2.380013  ?              ?        
1 1 1 8   6  12 o 281.8403 4.065826  ?              ?        
1 1 1 8   6  13 o 114.8005 2.359053  ?              ?        
1 1 1 8   6  14 o 100.7204 2.114855  -8.526894      4.229710 
1 1 1 8   6  15 o 90.69714 2.472076  10.06619       4.944153 
1 1 1 8   6  16 o 57.52901 2.687783  -1.853470      5.375566 
1 1 1 8   6  17 o 24.54477 3.589876  -5.628668      7.179751 
1 1 1 8   6  18 o 254.0497 3.383506  6.654770       6.767013 
1 1 1 8   6  19 o 51.30347 2.476051  -1.121456      4.952103 
1 1 1 8   6  20 o 108.9738 2.284894  -5.391716      4.569789 
1 1 1 8   6  21 o 195.8781 2.920558  -1.280045      5.841116 
1 1 1 8   6  22 o 106.3272 2.598435  3.375237       5.196870 
1 1 1 8   6  23 o 105.5292 2.558917  -3.868393      5.117834 
1 1 1 8   6  24 o 136.6534 2.677865  1.492447       5.355731 
1 1 1 8   6  25 o 52.25619 2.399354  ?              ?        
1 1 1 8   6  26 o 43.18265 3.228661  10.21428       6.457322 
1 1 1 8   6  27 o 37.16545 5.850096  ?              ?        
1 1 1 8   6  28 o 50.09284 2.959861  -18.13799      5.919723 
1 1 1 8   6  29 o 79.67188 2.650610  -39.93809      5.301220 
1 1 1 8   6  30 o 24.96833 6.176252  ?              ?        
1 1 1 8   6  31 o 29.44906 4.110817  -18.64237      8.221634 
1 1 1 8   7  0  o 106.1365 2.343331  -7.475716      4.686663 
1 1 1 8   7  1  o 138.7285 2.541339  -2.983017      5.082678 
1 1 1 8   7  2  f 168.5920 2.802485  -3.001572      5.604970 
1 1 1 8   7  3  o 239.7604 3.561642  -4.596512      7.123284 
1 1 1 8   7  4  o 108.3472 2.261153  -4.576340      4.522306 
1 1 1 8   7  5  o 109.6494 3.219312  ?              ?        
1 1 1 8   7  6  o 392.0642 7.653659  ?              ?        
1 1 1 8   7  7  o 193.2976 3.063409  ?              ?        
1 1 1 8   7  8  o 246.5597 3.665193  ?              ?        
1 1 1 8   7  9  o 219.3961 3.378930  ?              ?        
1 1 1 8   7  10 o 240.8275 3.633007  ?              ?        
1 1 1 8   7  11 o 77.70001 2.480917  ?              ?        
1 1 1 8   7  12 o 105.3810 2.610955  ?              ?        
1 1 1 8   7  13 o 145.2305 2.734772  ?              ?        
1 1 1 8   7  14 o 86.05920 2.418602  ?              ?        
1 1 1 8   7  15 o 94.44814 2.199043  -1.533897      4.398086 
1 1 1 8   7  16 o 74.17201 2.229524  -9.489693      4.459049 
1 1 1 8   7  17 o 144.1148 2.439890  3.576019       4.879779 
1 1 1 8   7  18 o 64.55869 2.369099  -1.657902      4.738197 
1 1 1 8   7  19 o 81.33316 2.431084  7.675682       4.862168 
1 1 1 8   7  20 o 137.8744 2.696667  4.856155       5.393334 
1 1 1 8   7  21 o 128.7047 2.580695  11.88499       5.161389 
1 1 1 8   7  22 o 138.1566 2.624642  1.413330       5.249284 
1 1 1 8   7  23 o 45.34494 2.271814  ?              ?        
1 1 1 8   7  24 o 47.02181 4.060463  -14.11505      8.120927 
1 1 1 8   7  25 o 56.91341 3.420252  -19.22344      6.840504 
1 1 1 8   7  26 o 57.83030 3.029634  -11.76170      6.059268 
1 1 1 8   7  27 o 37.89872 3.430790  -8.126595      6.861580 
1 1 1 8   7  28 o 103.7161 2.830369  -13.48652      5.660738 
1 1 1 8   7  29 o 46.63400 2.874830  -13.94411      5.749661 
1 1 1 8   7  30 o 45.70496 4.493116  ?              ?        
1 1 1 8   7  31 o 66.88389 3.168185  -48.75435      6.336370 
1 1 1 8   8  0  f 263.4135 3.924012  -1.520935      7.848024 
1 1 1 8   8  1  o 276.3646 4.054350  -2.716125      8.108700 
1 1 1 8   8  2  o 432.8749 5.977090  -2.537048      11.95418 
1 1 1 8   8  3  o 223.9702 3.437478  -0.9910278     6.874956 
1 1 1 8   8  4  o 103.9733 2.357369  -6.255486      4.714737 
1 1 1 8   8  5  o 266.4388 5.554679  ?              ?        
1 1 1 8   8  6  o 81.45993 2.445113  ?              ?        
1 1 1 8   8  7  o 155.0712 2.800027  ?              ?        
1 1 1 8   8  8  o 253.3068 3.806417  ?              ?        
1 1 1 8   8  9  o 29.26758 4.415206  ?              ?        
1 1 1 8   8  10 f 223.7706 3.510475  ?              ?        
1 1 1 8   8  11 o 237.4976 3.649960  ?              ?        
1 1 1 8   8  12 o 360.3481 7.317146  ?              ?        
1 1 1 8   8  13 o 20.34818 6.053057  ?              ?        
1 1 1 8   8  14 o 129.6891 2.744220  ?              ?        
1 1 1 8   8  15 o 109.1532 2.329482  1.688454       4.658965 
1 1 1 8   8  16 o 166.1678 2.989637  -1.369568      5.979274 
1 1 1 8   8  17 o 93.38150 4.011262  ?              ?        
1 1 1 8   8  18 o 45.37691 2.994803  3.390667       5.989605 
1 1 1 8   8  19 o 107.4288 2.473114  1.720634       4.946227 
1 1 1 8   8  20 o 124.3141 2.417863  ?              ?        
1 1 1 8   8  21 o 8.211938 3.878081  ?              ?        
1 1 1 8   8  22 f 140.2666 2.682206  -1.823013      5.364413 
1 1 1 8   8  23 o 121.9151 2.709156  -6.052284      5.418311 
1 1 1 8   8  24 o 95.13558 2.702330  -3.198792      5.404661 
1 1 1 8   8  25 o 60.78728 2.931446  -1.221371      5.862891 
1 1 1 8   8  26 o 61.60884 3.279878  -2.354523      6.559756 
1 1 1 8   8  27 o 50.34777 3.640813  -11.40200      7.281627 
1 1 1 8   8  28 o 70.49049 2.888041  -7.232887      5.776082 
1 1 1 8   8  29 o 58.03422 2.889497  -32.30894      5.778993 
1 1 1 8   8  30 o 15.31442 4.423665  1.771272       8.847330 
1 1 1 8   8  31 o 19.22853 4.768081  -10.89824      9.536161 
1 1 1 8   9  0  o 419.9495 5.887891  17.25452       11.77578 
1 1 1 8   9  1  o 58.23094 2.765824  2.387897       5.531647 
1 1 1 8   9  2  o 243.5056 3.730726  -4.266876      7.461452 
1 1 1 8   9  3  o 198.7769 3.240943  -1.392319      6.481886 
1 1 1 8   9  4  o 117.7600 3.682560  ?              ?        
1 1 1 8   9  5  o 82.22792 3.596850  ?              ?        
1 1 1 8   9  6  o 289.5526 4.277215  ?              ?        
1 1 1 8   9  7  o 68.77265 2.838911  ?              ?        
1 1 1 8   9  8  o 347.0837 4.960880  ?              ?        
1 1 1 8   9  9  o 52.49300 3.331302  ?              ?        
1 1 1 8   9  10 o 143.2799 3.935957  ?              ?        
1 1 1 8   9  11 o 137.4582 3.816627  ?              ?        
1 1 1 8   9  12 o 138.0252 3.877307  ?              ?        
1 1 1 8   9  13 x ?        ?         ?              ?        
1 1 1 8   9  14 o 201.2420 3.442153  ?              ?        
1 1 1 8   9  15 o 181.6529 3.222282  ?              ?        
1 1 1 8   9  16 o 81.77787 2.471121  0.4232788E-01  4.942241 
1 1 1 8   9  17 o 157.0050 4.402880  ?              ?        
1 1 1 8   9  18 o 99.39441 2.604766  ?              ?        
1 1 1 8   9  19 o 125.9371 2.643821  3.455917       5.287642 
1 1 1 8   9  20 o 44.21014 3.524684  4.365494       7.049369 
1 1 1 8   9  21 f 49.96629 3.471863  2.812305       6.943727 
1 1 1 8   9  22 o 52.69086 3.733037  -13.89431      7.466073 
1 1 1 8   9  23 o 85.33812 2.885094  6.441597       5.770189 
1 1 1 8   9  24 o 66.34630 3.540557  -8.202156      7.081115 
1 1 1 8   9  25 o 83.22804 3.214924  0.1189651      6.429848 
1 1 1 8   9  26 o 58.20269 5.246598  ?              ?        
1 1 1 8   9  27 o 45.40704 6.041203  ?              ?        
1 1 1 8   9  28 o 85.01320 2.961611  -42.21690      5.923222 
1 1 1 8   9  29 o 40.94500 3.765365  -17.35199      7.530731 
1 1 1 8   9  30 o 17.54376 4.191168  -5.135216      8.382336 
1 1 1 8   10 0  o 198.7820 3.374365  0.9268036      6.748730 
1 1 1 8   10 1  o 117.1352 2.751147  -3.635445      5.502294 
1 1 1 8   10 2  o 210.9587 4.869617  ?              ?        
1 1 1 8   10 3  o 199.7806 4.670682  ?              ?        
1 1 1 8   10 4  o 307.7436 6.402562  ?              ?        
1 1 1 8   10 5  o 288.3425 6.103569  ?              ?        
1 1 1 8   10 6  o 62.36728 3.174998  ?              ?        
1 1 1 8   10 7  o 15.79575 6.275620  ?              ?        
1 1 1 8   10 8  o 182.8935 3.249164  ?              ?        
1 1 1 8   10 9  o 286.3347 4.315499  ?              ?        
1 1 1 8   10 10 o 19.20777 6.083690  ?              ?        
1 1 1 8   10 11 o 96.67458 2.764777  ?              ?        
1 1 1 8   10 12 o 101.0757 2.742166  ?              ?        
1 1 1 8   10 13 o 38.88666 6.193157  ?              ?        
1 1 1 8   10 14 o 107.4208 4.186740  ?              ?        
1 1 1 8   10 15 o 49.12827 3.595237  ?              ?        
1 1 1 8   10 16 o 149.6843 3.054370  ?              ?        
1 1 1 8   10 17 o 133.3454 2.687621  -1.721741      5.375242 
1 1 1 8   10 18 o 43.67339 3.483707  6.133957       6.967414 
1 1 1 8   10 19 o 107.2777 2.779277  -3.911270      5.558554 
1 1 1 8   10 20 o 69.98865 2.987279  -3.429649      5.974559 
1 1 1 8   10 21 o 45.65138 3.942084  -4.350971      7.884167 
1 1 1 8   10 22 o 106.0271 3.420320  12.52631       6.840640 
1 1 1 8   10 23 o 34.24146 4.745448  -15.42281      9.490896 
1 1 1 8   10 24 o 79.48294 2.959875  -7.120071      5.919751 
1 1 1 8   10 25 o 24.13847 4.452310  -7.938208      8.904619 
1 1 1 8   10 26 f 75.98316 2.923126  -11.66208      5.846251 
1 1 1 8   10 27 o 14.50870 4.432338  -0.5104694     8.864676 
1 1 1 8   10 28 o 45.67425 4.924529  ?              ?        
1 1 1 8   10 29 o 34.98818 4.071264  -27.68237      8.142529 
1 1 1 8   10 30 o 19.66210 6.024569  ?              ?        
1 1 1 8   11 0  o 140.8234 4.257303  ?              ?        
1 1 1 8   11 1  f 32.96939 7.002011  ?              ?        
1 1 1 8   11 2  o 209.0658 3.501194  -2.495956      7.002388 
1 1 1 8   11 3  o 198.2081 3.407326  7.388596       6.814651 
1 1 1 8   11 4  o 121.2618 4.176634  ?              ?        
1 1 1 8   11 5  o 179.1227 4.663436  ?              ?        
1 1 1 8   11 6  o 234.9996 3.807598  ?              ?        
1 1 1 8   11 7  o 50.81896 3.788884  ?              ?        
1 1 1 8   11 8  o 126.6382 3.012480  ?              ?        
1 1 1 8   11 9  o 36.55269 6.915930  ?              ?        
1 1 1 8   11 10 o 45.70135 5.339257  ?              ?        
1 1 1 8   11 11 o 74.57997 2.920334  ?              ?        
1 1 1 8   11 12 o 125.9945 2.905448  ?              ?        
1 1 1 8   11 13 o 214.3148 5.250204  ?              ?        
1 1 1 8   11 14 o 31.97214 7.039687  ?              ?        
1 1 1 8   11 15 o 90.89105 3.109257  ?              ?        
1 1 1 8   11 16 o 67.08567 3.381554  ?              ?        
1 1 1 8   11 17 o 32.78101 5.017717  ?              ?        
1 1 1 8   11 18 o 62.79435 3.699306  -1.271267      7.398612 
1 1 1 8   11 19 o 120.1040 3.373562  -1.687218      6.747123 
1 1 1 8   11 20 o 67.90455 3.167783  0.3577271      6.335566 
1 1 1 8   11 21 o 88.08740 3.020943  0.6052780      6.041885 
1 1 1 8   11 22 o 152.6030 3.038070  5.456146       6.076141 
1 1 1 8   11 23 o 107.0428 2.927858  4.504631       5.855716 
1 1 1 8   11 24 o 38.61238 4.524300  -7.247452      9.048600 
1 1 1 8   11 25 o 12.41067 4.077382  4.304171       8.154763 
1 1 1 8   11 26 o 29.92662 4.266501  -8.624855      8.533002 
1 1 1 8   11 27 x ?        ?         ?              ?        
1 1 1 8   11 28 o 31.12089 6.365817  ?              ?        
1 1 1 8   11 29 o 17.41572 6.719546  ?              ?        
1 1 1 8   11 30 o 12.72973 3.937202  -3.153388      7.874404 
1 1 1 8   12 0  o 191.6170 3.479800  -4.237671      6.959600 
1 1 1 8   12 1  o 175.1041 3.303314  4.670410       6.606627 
1 1 1 8   12 2  o 77.71008 3.171909  -1.485054      6.343818 
1 1 1 8   12 3  o 363.4837 7.504296  ?              ?        
1 1 1 8   12 4  o 123.9372 4.327613  ?              ?        
1 1 1 8   12 5  o 113.3822 4.303023  ?              ?        
1 1 1 8   12 6  o 152.4783 3.164260  ?              ?        
1 1 1 8   12 7  o 144.6165 3.114284  ?              ?        
1 1 1 8   12 8  o 162.9903 3.223713  ?              ?        
1 1 1 8   12 9  o 160.6197 3.199016  ?              ?        
1 1 1 8   12 10 o 144.9742 3.089225  ?              ?        
1 1 1 8   12 11 o 11.90994 5.278469  ?              ?        
1 1 1 8   12 12 o 49.51052 3.423121  ?              ?        
1 1 1 8   12 13 o 237.9341 3.938514  ?              ?        
1 1 1 8   12 14 o 129.4441 4.516479  ?              ?        
1 1 1 8   12 15 o 80.48482 4.609361  ?              ?        
1 1 1 8   12 16 o 225.2885 3.969815  ?              ?        
1 1 1 8   12 17 o 104.9294 3.294295  ?              ?        
1 1 1 8   12 18 f 62.48444 3.789250  ?              ?        
1 1 1 8   12 19 o 24.23560 5.642336  0.9283390      11.28467 
1 1 1 8   12 20 o 64.32170 3.392378  2.216789       6.784755 
1 1 1 8   12 21 o 101.2871 3.340227  1.532928       6.680453 
1 1 1 8   12 22 o 45.17832 4.136936  -0.5608139     8.273871 
1 1 1 8   12 23 o 76.73960 3.163012  -4.776062      6.326024 
1 1 1 8   12 24 o 26.35229 4.579883  -13.77928      9.159765 
1 1 1 8   12 25 o 50.48800 3.211087  ?              ?        
1 1 1 8   12 26 o 38.09292 3.800042  -5.362919      7.600084 
1 1 1 8   12 27 f 39.27256 5.406538  ?              ?        
1 1 1 8   12 28 o 37.65494 5.457123  ?              ?        
1 1 1 8   12 29 o 15.34804 3.869837  -10.02372      7.739674 
1 1 1 8   13 0  o 149.3989 3.242183  10.66264       6.484366 
1 1 1 8   13 1  o 185.4425 3.454401  -1.197678      6.908802 
1 1 1 8   13 2  o 95.85703 3.126283  8.947403       6.252567 
1 1 1 8   13 3  o 47.22762 5.660964  ?              ?        
1 1 1 8   13 4  o 328.2730 6.966673  ?              ?        
1 1 1 8   13 5  o 109.8025 3.064419  ?              ?        
1 1 1 8   13 6  o 63.52787 3.336409  ?              ?        
1 1 1 8   13 7  o 57.27631 3.509761  ?              ?        
1 1 1 8   13 8  f 150.2810 3.194752  ?              ?        
1 1 1 8   13 9  o 113.1941 3.020835  ?              ?        
1 1 1 8   13 10 o 188.9452 3.475662  ?              ?        
1 1 1 8   13 11 o 167.7693 3.316848  ?              ?        
1 1 1 8   13 12 o 64.58674 3.315378  ?              ?        
1 1 1 8   13 13 o 179.8178 3.466014  ?              ?        
1 1 1 8   13 14 o 118.5498 4.645321  ?              ?        
1 1 1 8   13 15 o 55.08124 5.879761  ?              ?        
1 1 1 8   13 16 o 131.0750 4.819810  ?              ?        
1 1 1 8   13 17 o 147.4180 5.140605  ?              ?        
1 1 1 8   13 18 o 47.61396 6.448156  ?              ?        
1 1 1 8   13 19 o 152.8580 3.505467  ?              ?        
1 1 1 8   13 20 o 70.89034 3.428410  -3.332375      6.856819 
1 1 1 8   13 21 o 63.37854 3.555773  9.859894       7.111545 
1 1 1 8   13 22 o 38.80950 4.566081  ?              ?        
1 1 1 8   13 23 o 45.58410 4.053252  -0.1853752     8.106503 
1 1 1 8   13 24 o 72.65255 5.815340  ?              ?        
1 1 1 8   13 25 o 33.71464 7.212094  ?              ?        
1 1 1 8   13 26 o 15.65731 4.281429  -2.462445      8.562858 
1 1 1 8   13 27 o 18.90918 4.470471  2.838018       8.940943 
1 1 1 8   13 28 o 40.15707 5.097285  ?              ?        
1 1 1 8   13 29 f 29.33720 6.441174  ?              ?        
1 1 1 8   14 0  o 98.66153 3.171035  6.924026       6.342070 
1 1 1 8   14 1  o 91.13888 3.186235  -2.827682      6.372470 
1 1 1 8   14 2  o 128.4757 4.508741  ?              ?        
1 1 1 8   14 3  o 124.2736 4.437675  ?              ?        
1 1 1 8   14 4  o 116.4785 4.458492  ?              ?        
1 1 1 8   14 5  o 108.1617 3.160407  ?              ?        
1 1 1 8   14 6  o 154.7483 3.318405  ?              ?        
1 1 1 8   14 7  o 88.67366 3.121003  ?              ?        
1 1 1 8   14 8  o 23.63758 6.302889  ?              ?        
1 1 1 8   14 9  o 81.74870 3.138231  ?              ?        
1 1 1 8   14 10 o 86.51425 4.195921  ?              ?        
1 1 1 8   14 11 o 152.6577 4.607039  ?              ?        
1 1 1 8   14 12 o 42.44751 5.151095  ?              ?        
1 1 1 8   14 13 o 28.36503 6.885442  ?              ?        
1 1 1 8   14 14 o 149.7735 3.437621  ?              ?        
1 1 1 8   14 15 o 167.9959 5.241632  ?              ?        
1 1 1 8   14 16 o 141.9114 5.033879  ?              ?        
1 1 1 8   14 17 o 35.76527 6.570961  ?              ?        
1 1 1 8   14 18 o 57.08722 4.654126  ?              ?        
1 1 1 8   14 19 o 75.96994 3.861096  ?              ?        
1 1 1 8   14 20 o 73.18723 3.781774  ?              ?        
1 1 1 8   14 21 o 44.88194 4.699962  ?              ?        
1 1 1 8   14 22 o 34.91353 5.018763  -5.826393      10.03753 
1 1 1 8   14 23 o 100.3998 3.158922  3.773575       6.317844 
1 1 1 8   14 24 o 17.78615 4.635097  -4.412374      9.270194 
1 1 1 8   14 25 o 20.57199 4.712869  -1.540092      9.425738 
1 1 1 8   14 26 o 27.76966 4.154005  -4.093000      8.308009 
1 1 1 8   14 27 o 15.00732 4.088364  -8.865169      8.176728 
1 1 1 8   14 28 f 15.83415 4.228745  10.81589       8.457490 
1 1 1 8   15 0  o 85.52384 4.620617  ?              ?        
1 1 1 8   15 1  o 69.27909 4.826491  ?              ?        
1 1 1 8   15 2  x ?        ?         ?              ?        
1 1 1 8   15 3  o 72.95805 4.710724  ?              ?        
1 1 1 8   15 4  o 105.7370 4.586194  ?              ?        
1 1 1 8   15 5  o 58.37194 3.621243  ?              ?        
1 1 1 8   15 6  o 30.53961 5.008907  ?              ?        
1 1 1 8   15 7  o 124.8777 3.178312  ?              ?        
1 1 1 8   15 8  o 90.39799 3.146108  ?              ?        
1 1 1 8   15 9  o 108.5464 3.169201  ?              ?        
1 1 1 8   15 10 o 103.5495 3.249521  ?              ?        
1 1 1 8   15 11 o 126.5356 3.289238  ?              ?        
1 1 1 8   15 12 o 120.3758 3.313674  ?              ?        
1 1 1 8   15 13 o 97.98009 3.395987  ?              ?        
1 1 1 8   15 14 o 96.67496 3.470698  ?              ?        
1 1 1 8   15 15 o 51.64343 4.363509  ?              ?        
1 1 1 8   15 16 o 109.8435 5.371012  ?              ?        
1 1 1 8   15 17 o 46.60105 8.519975  ?              ?        
1 1 1 8   15 18 o 60.61764 4.646383  ?              ?        
1 1 1 8   15 19 o 66.64537 4.282225  ?              ?        
1 1 1 8   15 20 f 62.46820 4.266288  ?              ?        
1 1 1 8   15 21 o 58.37754 3.855005  ?              ?        
1 1 1 8   15 22 o 69.69022 3.370328  ?              ?        
1 1 1 8   15 23 o 55.79211 3.632841  ?              ?        
1 1 1 8   15 24 o 50.14704 3.887269  4.803104       7.774539 
1 1 1 8   15 25 o 16.18661 4.412902  2.242221       8.825805 
1 1 1 8   15 26 o 42.79790 3.284268  -14.51419      6.568536 
1 1 1 8   15 27 o 16.47874 4.576043  -8.115679      9.152085 
1 1 1 8   16 0  o 79.49547 4.681570  ?              ?        
1 1 1 8   16 1  o 119.4713 4.643977  ?              ?        
1 1 1 8   16 2  o 91.33773 4.646832  ?              ?        
1 1 1 8   16 3  o 104.4321 4.595388  ?              ?        
1 1 1 8   16 4  o 66.61213 3.469345  ?              ?        
1 1 1 8   16 5  o 56.45654 3.696901  ?              ?        
1 1 1 8   16 6  o 95.34194 3.237683  ?              ?        
1 1 1 8   16 7  o 119.8926 3.267150  ?              ?        
1 1 1 8   16 8  o 126.9815 3.376520  ?              ?        
1 1 1 8   16 9  o 145.4075 3.425054  ?              ?        
1 1 1 8   16 10 o 48.75551 4.188563  ?              ?        
1 1 1 8   16 11 f 88.00004 3.427099  ?              ?        
1 1 1 8   16 12 o 163.5369 3.587189  ?              ?        
1 1 1 8   16 13 o 61.19916 3.989301  ?              ?        
1 1 1 8   16 14 o 49.77909 4.777994  ?              ?        
1 1 1 8   16 15 f 25.75732 7.582981  ?              ?        
1 1 1 8   16 16 o 87.75262 3.813248  ?              ?        
1 1 1 8   16 17 o 122.3345 5.396668  ?              ?        
1 1 1 8   16 18 o 122.3206 5.344081  ?              ?        
1 1 1 8   16 19 o 104.9188 5.256657  ?              ?        
1 1 1 8   16 20 o 13.24557 6.218140  ?              ?        
1 1 1 8   16 21 o 35.94153 4.884079  ?              ?        
1 1 1 8   16 22 o 50.19444 3.754902  ?              ?        
1 1 1 8   16 23 o 52.71788 3.423655  ?              ?        
1 1 1 8   16 24 o 26.64053 6.456855  ?              ?        
1 1 1 8   16 25 o 37.57673 3.782244  ?              ?        
1 1 1 8   16 26 o 37.29335 3.308697  -1.978893      6.617393 
1 1 1 8   17 0  o 196.3959 5.370393  ?              ?        
1 1 1 8   17 1  o 137.4172 4.801899  ?              ?        
1 1 1 8   17 2  o 18.95277 7.500116  ?              ?        
1 1 1 8   17 3  o 92.22109 4.729722  ?              ?        
1 1 1 8   17 4  o 49.95889 4.126318  ?              ?        
1 1 1 8   17 5  o 138.3586 3.392259  ?              ?        
1 1 1 8   17 6  o 38.96880 4.968749  ?              ?        
1 1 1 8   17 7  o 42.75256 4.577372  ?              ?        
1 1 1 8   17 8  o 108.7366 3.484351  ?              ?        
1 1 1 8   17 9  o 113.7255 3.474288  ?              ?        
1 1 1 8   17 10 o 144.4192 3.581230  ?              ?        
1 1 1 8   17 11 o 42.05175 4.907477  ?              ?        
1 1 1 8   17 12 o 44.43745 5.136237  ?              ?        
1 1 1 8   17 13 o 73.61129 3.989639  ?              ?        
1 1 1 8   17 14 o 68.11094 4.165856  ?              ?        
1 1 1 8   17 15 o 23.70245 7.738998  ?              ?        
1 1 1 8   17 16 o 57.33157 4.689811  ?              ?        
1 1 1 8   17 17 o 101.1811 3.766369  ?              ?        
1 1 1 8   17 18 x ?        ?         ?              ?        
1 1 1 8   17 19 o 33.05933 6.240948  ?              ?        
1 1 1 8   17 20 o 42.41149 4.904390  ?              ?        
1 1 1 8   17 21 o 17.38753 7.117463  ?              ?        
1 1 1 8   17 22 o 14.14368 5.792410  ?              ?        
1 1 1 8   17 23 o 16.67243 5.527286  ?              ?        
1 1 1 8   17 24 o 32.83056 4.013111  ?              ?        
1 1 1 8   17 25 o 27.67405 4.538767  ?              ?        
1 1 1 8   17 26 o 12.95403 5.299355  ?              ?        
1 1 1 8   18 0  o 26.51131 8.529150  ?              ?        
1 1 1 8   18 1  o 79.30957 5.144282  ?              ?        
1 1 1 8   18 2  o 76.02578 5.132919  ?              ?        
1 1 1 8   18 3  f 95.87340 3.412217  ?              ?        
1 1 1 8   18 4  o 123.8636 3.448834  ?              ?        
1 1 1 8   18 5  o 119.8758 3.499109  ?              ?        
1 1 1 8   18 6  f 61.00175 3.918989  ?              ?        
1 1 1 8   18 7  f 109.6534 3.511446  ?              ?        
1 1 1 8   18 8  o 119.4646 3.576117  ?              ?        
1 1 1 8   18 9  o 38.89576 5.487997  ?              ?        
1 1 1 8   18 10 o 34.79393 6.635364  ?              ?        
1 1 1 8   18 11 o 137.5483 3.693843  ?              ?        
1 1 1 8   18 12 o 21.73447 7.639190  ?              ?        
1 1 1 8   18 13 o 121.6845 3.733114  ?              ?        
1 1 1 8   18 14 o 11.92313 5.677047  ?              ?        
1 1 1 8   18 15 o 52.93681 7.313417  ?              ?        
1 1 1 8   18 16 o 29.37968 8.345384  ?              ?        
1 1 1 8   18 17 o 14.11755 6.564522  ?              ?        
1 1 1 8   18 18 o 64.07065 5.555259  ?              ?        
1 1 1 8   18 19 o 18.12084 6.888387  ?              ?        
1 1 1 8   18 20 o 41.73727 4.438455  ?              ?        
1 1 1 8   18 21 o 40.79892 3.990963  ?              ?        
1 1 1 8   18 22 o 13.48909 5.508247  ?              ?        
1 1 1 8   18 23 x ?        ?         ?              ?        
1 1 1 8   18 24 o 9.315626 4.361605  ?              ?        
1 1 1 8   18 25 o 25.06132 5.048408  ?              ?        
1 1 1 8   19 0  o 69.81628 5.851404  ?              ?        
1 1 1 8   19 1  o 22.11573 8.293177  ?              ?        
1 1 1 8   19 2  o 57.74433 5.823333  ?              ?        
1 1 1 8   19 3  o 102.2617 5.001921  ?              ?        
1 1 1 8   19 4  o 20.64417 8.161140  ?              ?        
1 1 1 8   19 5  o 89.41374 5.047836  ?              ?        
1 1 1 8   19 6  o 14.49060 6.623915  ?              ?        
1 1 1 8   19 7  o 43.63419 8.048909  ?              ?        
1 1 1 8   19 8  o 123.1313 5.143245  ?              ?        
1 1 1 8   19 9  o 144.0549 5.154279  ?              ?        
1 1 1 8   19 10 o 97.52448 5.229030  ?              ?        
1 1 1 8   19 11 o 37.01982 6.919176  ?              ?        
1 1 1 8   19 12 o 92.97852 3.934094  ?              ?        
1 1 1 8   19 13 o 33.11169 7.457331  ?              ?        
1 1 1 8   19 14 o 22.47205 7.693767  ?              ?        
1 1 1 8   19 15 o 86.58395 3.990915  ?              ?        
1 1 1 8   19 16 o 79.63773 3.894122  ?              ?        
1 1 1 8   19 17 o 28.68239 6.479098  ?              ?        
1 1 1 8   19 18 o 30.92642 7.864323  ?              ?        
1 1 1 8   19 19 o 49.41410 4.012174  ?              ?        
1 1 1 8   19 20 o 68.10465 3.544131  ?              ?        
1 1 1 8   19 21 o 17.06743 6.288600  ?              ?        
1 1 1 8   19 22 o 69.43416 3.098367  ?              ?        
1 1 1 8   19 23 o 29.57530 4.069738  ?              ?        
1 1 1 8   19 24 o 14.27401 5.614064  ?              ?        
1 1 1 8   20 0  o 48.67765 7.031400  ?              ?        
1 1 1 8   20 1  x ?        ?         ?              ?        
1 1 1 8   20 2  o 96.69724 5.279505  ?              ?        
1 1 1 8   20 3  o 137.2163 5.247434  ?              ?        
1 1 1 8   20 4  o 81.20239 5.465120  ?              ?        
1 1 1 8   20 5  o 84.10344 3.974531  ?              ?        
1 1 1 8   20 6  o 99.75100 3.819312  ?              ?        
1 1 1 8   20 7  o 29.30139 7.733269  ?              ?        
1 1 1 8   20 8  o 54.23291 4.892296  ?              ?        
1 1 1 8   20 9  o 104.5898 3.897758  ?              ?        
1 1 1 8   20 10 o 58.29169 4.759498  ?              ?        
1 1 1 8   20 11 f 35.61943 6.976496  ?              ?        
1 1 1 8   20 12 o 29.81154 7.320395  ?              ?        
1 1 1 8   20 13 o 14.14958 6.363508  ?              ?        
1 1 1 8   20 14 o 51.98747 4.631698  ?              ?        
1 1 1 8   20 15 o 81.02654 6.125935  ?              ?        
1 1 1 8   20 16 o 63.21798 6.015132  ?              ?        
1 1 1 8   20 17 o 23.85805 8.681794  ?              ?        
1 1 1 8   20 18 o 43.39005 6.008971  ?              ?        
1 1 1 8   20 19 o 72.96990 3.335473  ?              ?        
1 1 1 8   20 20 o 47.86552 3.133779  ?              ?        
1 1 1 8   20 21 o 21.13560 6.148932  ?              ?        
1 1 1 8   20 22 o 19.87411 6.027021  ?              ?        
1 1 1 8   20 23 o 15.31115 6.198617  ?              ?        
1 1 1 8   21 0  o 99.27637 5.577284  ?              ?        
1 1 1 8   21 1  o 51.15313 7.181171  ?              ?        
1 1 1 8   21 2  o 46.62200 5.303595  ?              ?        
1 1 1 8   21 3  o 50.66920 4.873096  ?              ?        
1 1 1 8   21 4  o 91.08575 3.924748  ?              ?        
1 1 1 8   21 5  o 152.8579 3.877320  ?              ?        
1 1 1 8   21 6  o 15.70883 7.002071  ?              ?        
1 1 1 8   21 7  o 39.03191 6.358663  ?              ?        
1 1 1 8   21 8  o 63.75268 4.669863  ?              ?        
1 1 1 8   21 9  o 55.16864 4.957529  ?              ?        
1 1 1 8   21 10 x ?        ?         ?              ?        
1 1 1 8   21 11 o 39.12040 6.052151  ?              ?        
1 1 1 8   21 12 o 54.15703 4.667535  ?              ?        
1 1 1 8   21 13 o 58.16941 4.570119  ?              ?        
1 1 1 8   21 14 o 45.08961 8.072260  ?              ?        
1 1 1 8   21 15 o 11.59869 5.429104  ?              ?        
1 1 1 8   21 16 o 18.45051 6.558796  ?              ?        
1 1 1 8   21 17 o 20.02323 6.163434  ?              ?        
1 1 1 8   21 18 o 28.60060 4.612030  ?              ?        
1 1 1 8   21 19 o 48.04345 3.506289  ?              ?        
1 1 1 8   21 20 o 10.82728 4.747772  ?              ?        
1 1 1 8   21 21 o 22.45546 4.705553  ?              ?        
1 1 1 8   21 22 o 19.88960 5.745382  ?              ?        
1 1 1 8   22 0  o 190.6470 5.976838  ?              ?        
1 1 1 8   22 1  o 83.04871 4.263607  ?              ?        
1 1 1 8   22 2  o 22.51704 7.926841  ?              ?        
1 1 1 8   22 3  o 18.60904 7.373103  ?              ?        
1 1 1 8   22 4  o 101.9621 3.980459  ?              ?        
1 1 1 8   22 5  o 42.49826 5.937636  ?              ?        
1 1 1 8   22 6  o 25.45261 7.866729  ?              ?        
1 1 1 8   22 7  o 24.15289 8.026258  ?              ?        
1 1 1 8   22 8  o 18.38765 7.464149  ?              ?        
1 1 1 8   22 9  o 120.3099 3.944453  ?              ?        
1 1 1 8   22 10 o 54.33725 4.758914  ?              ?        
1 1 1 8   22 11 o 32.24426 6.173321  ?              ?        
1 1 1 8   22 12 o 39.37334 5.384871  ?              ?        
1 1 1 8   22 13 o 63.26926 3.999019  ?              ?        
1 1 1 8   22 14 o 45.70504 4.552258  ?              ?        
1 1 1 8   22 15 o 36.02601 4.787693  ?              ?        
1 1 1 8   22 16 o 20.71115 5.979805  ?              ?        
1 1 1 8   22 17 o 11.84508 5.163401  ?              ?        
1 1 1 8   22 18 o 12.08404 5.506919  ?              ?        
1 1 1 8   22 19 o 14.80387 5.682091  ?              ?        
1 1 1 8   22 20 o 15.54398 5.528158  ?              ?        
1 1 1 8   23 0  o 59.08821 5.084579  ?              ?        
1 1 1 8   23 1  o 20.62763 7.576340  ?              ?        
1 1 1 8   23 2  o 75.33757 4.333478  ?              ?        
1 1 1 8   23 3  o 27.64703 7.404746  ?              ?        
1 1 1 8   23 4  o 101.4857 3.993706  ?              ?        
1 1 1 8   23 5  f 16.42608 7.036808  ?              ?        
1 1 1 8   23 6  o 13.29033 6.165996  ?              ?        
1 1 1 8   23 7  o 21.29864 7.613197  ?              ?        
1 1 1 8   23 8  o 30.28802 7.231362  ?              ?        
1 1 1 8   23 9  o 58.75706 4.296347  ?              ?        
1 1 1 8   23 10 o 15.39475 6.324615  ?              ?        
1 1 1 8   23 11 o 47.87551 6.145824  ?              ?        
1 1 1 8   23 12 o 84.63490 5.127454  ?              ?        
1 1 1 8   23 13 o 32.80125 7.109272  ?              ?        
1 1 1 8   23 14 o 39.37098 4.077464  ?              ?        
1 1 1 8   23 15 o 30.13845 4.196360  ?              ?        
1 1 1 8   23 16 f 20.65222 5.535713  ?              ?        
1 1 1 8   23 17 o 27.92381 4.341143  ?              ?        
1 1 1 8   23 18 o 28.11475 4.354630  ?              ?        
1 1 1 8   23 19 o 20.94596 5.447857  ?              ?        
1 1 1 8   24 0  o 66.21330 5.949130  ?              ?        
1 1 1 8   24 1  o 50.14339 5.110181  ?              ?        
1 1 1 8   24 2  o 51.29283 4.923707  ?              ?        
1 1 1 8   24 3  o 80.56115 4.064559  ?              ?        
1 1 1 8   24 4  o 39.24187 5.788723  ?              ?        
1 1 1 8   24 5  o 41.82470 5.253499  ?              ?        
1 1 1 8   24 6  o 24.27347 7.292903  ?              ?        
1 1 1 8   24 7  o 71.92821 3.851655  ?              ?        
1 1 1 8   24 8  o 29.55102 6.010238  ?              ?        
1 1 1 8   24 9  o 16.73072 6.498487  ?              ?        
1 1 1 8   24 10 o 31.91333 5.713109  ?              ?        
1 1 1 8   24 11 o 20.00981 6.806746  ?              ?        
1 1 1 8   24 12 o 41.28094 4.176690  ?              ?        
1 1 1 8   24 13 o 23.91747 5.470135  ?              ?        
1 1 1 8   24 14 o 23.93592 5.439981  ?              ?        
1 1 1 8   24 15 o 14.14904 5.366652  ?              ?        
1 1 1 8   24 16 o 26.29943 4.921758  ?              ?        
1 1 1 8   24 17 o 28.09769 4.601622  ?              ?        
1 1 1 8   25 0  o 47.19300 5.200997  ?              ?        
1 1 1 8   25 1  f 41.30032 5.358231  ?              ?        
1 1 1 8   25 2  o 21.75756 7.187658  ?              ?        
1 1 1 8   25 3  o 37.84233 5.123740  ?              ?        
1 1 1 8   25 4  o 15.36319 6.315217  ?              ?        
1 1 1 8   25 5  o 17.08202 6.518856  ?              ?        
1 1 1 8   25 6  o 71.25817 3.832593  ?              ?        
1 1 1 8   25 7  o 47.48187 4.370632  ?              ?        
1 1 1 8   25 8  o 25.86016 6.476587  ?              ?        
1 1 1 8   25 9  f 24.33541 6.286807  ?              ?        
1 1 1 8   25 10 o 21.45639 5.538976  ?              ?        
1 1 1 8   25 11 o 41.97603 3.587796  ?              ?        
1 1 1 8   25 12 o 27.96029 4.488820  ?              ?        
1 1 1 8   25 13 o 40.22414 3.767157  ?              ?        
1 1 1 8   25 14 o 22.97190 5.250587  ?              ?        
1 1 1 8   25 15 o 30.64707 4.070213  ?              ?        
1 1 1 8   26 0  o 35.34071 5.211201  ?              ?        
1 1 1 8   26 1  o 18.99814 6.697406  ?              ?        
1 1 1 8   26 2  o 18.49121 6.487967  ?              ?        
1 1 1 8   26 3  o 10.42736 4.913802  ?              ?        
1 1 1 8   26 4  o 12.77125 5.672319  ?              ?        
1 1 1 8   26 5  o 16.78677 6.363598  ?              ?        
1 1 1 8   26 6  o 19.32260 6.011145  ?              ?        
1 1 1 8   26 7  o 47.12461 3.429828  ?              ?        
1 1 1 8   26 8  o 13.91900 5.436495  ?              ?        
1 1 1 8   26 9  o 17.98649 5.514466  ?              ?        
1 1 1 8   26 10 o 36.05061 3.895372  ?              ?        
1 1 1 8   26 11 o 13.19415 5.373238  ?              ?        
1 1 1 8   26 12 o 35.26920 4.034139  ?              ?        
1 1 1 8   26 13 o 12.32842 5.307857  ?              ?        
1 1 1 8   27 0  o 27.13863 5.488068  ?              ?        
1 1 1 8   27 1  o 17.18526 6.008934  ?              ?        
1 1 1 8   27 2  o 17.71096 5.844917  ?              ?        
1 1 1 8   27 3  o 48.80095 3.422396  ?              ?        
1 1 1 8   27 4  o 18.64507 5.564720  ?              ?        
1 1 1 8   27 5  o 18.13256 5.551672  ?              ?        
1 1 1 8   27 6  o 12.37443 5.134044  ?              ?        
1 1 1 8   27 7  o 12.55561 5.186681  ?              ?        
1 1 1 8   27 8  o 31.21574 4.222682  ?              ?        
1 1 1 8   27 9  o 17.36111 6.273444  ?              ?        
1 1 1 8   27 10 o 16.93356 6.445739  ?              ?        
1 1 1 8   27 11 o 27.90324 6.500452  ?              ?        
1 1 1 8   28 0  x ?        ?         ?              ?        
1 1 1 8   28 1  x ?        ?         ?              ?        
1 1 1 8   28 2  f 29.87787 6.536202  ?              ?        
1 1 1 8   28 3  o 23.70273 6.836829  ?              ?        
1 1 1 8   28 4  o 23.73187 6.897870  ?              ?        
1 1 1 8   28 5  o 25.27213 6.685008  ?              ?        
1 1 1 8   28 6  o 19.06114 6.585476  ?              ?        
1 1 1 8   28 7  o 9.906544 4.752913  ?              ?        
1 1 1 8   29 0  x ?        ?         ?              ?        
1 1 1 8   29 1  x ?        ?         ?              ?        
1 1 1 8   29 2  x ?        ?         ?              ?        
1 1 1 9   0  0  o 73.01751 1.905185  -0.000000      0.000000 
1 1 1 9   0  1  o 74.60096 1.374032  -0.000000      0.000000 
1 1 1 9   0  2  o 262.3082 3.561850  -0.000000      0.000000 
1 1 1 9   0  3  o 105.8372 1.676916  -0.000000      0.000000 
1 1 1 9   0  4  o 238.0282 3.259731  -0.000000      0.000000 
1 1 1 9   0  5  x ?        ?         ?              ?        
1 1 1 9   0  6  o 424.5858 8.033402  -0.000000      0.000000 
1 1 1 9   0  7  x ?        ?         ?              ?        
1 1 1 9   0  8  x ?        ?         ?              ?        
1 1 1 9   0  9  x ?        ?         ?              ?        
1 1 1 9   0  10 x ?        ?         ?              ?        
1 1 1 9   0  11 x ?        ?         ?              ?        
1 1 1 9   0  12 x ?        ?         ?              ?        
1 1 1 9   0  13 x ?        ?         ?              ?        
1 1 1 9   0  14 o 11.96921 4.773452  -0.000000      0.000000 
1 1 1 9   0  15 f 24.34299 2.741031  -0.000000      0.000000 
1 1 1 9   0  16 o 59.92506 1.747264  -0.000000      0.000000 
1 1 1 9   0  17 x ?        ?         ?              ?        
1 1 1 9   0  18 o 86.09763 1.916203  -0.000000      0.000000 
1 1 1 9   0  19 o 16.85454 5.581513  -0.000000      0.000000 
1 1 1 9   0  20 o 14.85990 7.365143  -0.000000      0.000000 
1 1 1 9   0  21 o 28.03636 3.738416  -0.000000      0.000000 
1 1 1 9   0  22 o 225.5654 4.787357  -0.000000      0.000000 
1 1 1 9   0  23 o 92.52387 2.485811  -0.000000      0.000000 
1 1 1 9   0  24 o 39.39498 3.885439  -0.000000      0.000000 
1 1 1 9   0  25 o 176.5304 3.056786  -0.000000      0.000000 
1 1 1 9   0  26 o 72.84868 2.645031  -0.000000      0.000000 
1 1 1 9   0  27 o 6.695496 4.655903  -0.000000      0.000000 
1 1 1 9   0  28 x ?        ?         ?              ?        
1 1 1 9   0  29 o 29.87860 3.578228  -0.000000      0.000000 
1 1 1 9   0  30 o 9.532901 5.892190  -0.000000      0.000000 
1 1 1 9   0  31 x ?        ?         ?              ?        
1 1 1 9   0  32 x ?        ?         ?              ?        
1 1 1 9   1  0  o 167.5802 2.045760  4.660141       4.091520 
1 1 1 9   1  1  o 247.0527 2.911015  -6.371597      5.822029 
1 1 1 9   1  2  o 59.28671 0.9703145 5.471451       1.940629 
1 1 1 9   1  3  o 287.4380 2.761081  -5.513855      5.522162 
1 1 1 9   1  4  o 237.9728 2.875901  9.030167       5.751802 
1 1 1 9   1  5  o 120.5776 1.565419  -0.6910858     3.130837 
1 1 1 9   1  6  o 106.2965 1.332183  -17.37131      2.664366 
1 1 1 9   1  7  x ?        ?         ?              ?        
1 1 1 9   1  8  x ?        ?         ?              ?        
1 1 1 9   1  9  o 95.20544 1.992850  ?              ?        
1 1 1 9   1  10 x ?        ?         ?              ?        
1 1 1 9   1  11 o 173.1705 3.339914  ?              ?        
1 1 1 9   1  12 o 46.21055 1.388739  ?              ?        
1 1 1 9   1  13 o 153.4207 3.009624  ?              ?        
1 1 1 9   1  14 o 33.78375 2.848990  ?              ?        
1 1 1 9   1  15 o 51.31382 1.456468  -3.495972      2.912936 
1 1 1 9   1  16 o 145.9051 1.970725  -2.897263      3.941450 
1 1 1 9   1  17 o 28.41665 3.664407  ?              ?        
1 1 1 9   1  18 o 87.29016 1.372035  0.8605118      2.744070 
1 1 1 9   1  19 o 29.39672 2.595392  -5.364172      5.190784 
1 1 1 9   1  20 o 79.67674 1.874859  3.734947       3.749718 
1 1 1 9   1  21 o 100.4278 1.600962  -1.126305      3.201924 
1 1 1 9   1  22 o 81.96695 2.130042  -4.634239      4.260084 
1 1 1 9   1  23 o 74.56890 1.821881  0.6311035E-01  3.643761 
1 1 1 9   1  24 o 41.80952 3.904824  ?              ?        
1 1 1 9   1  25 o 22.00338 4.043790  3.757530       8.087581 
1 1 1 9   1  26 o 70.39633 1.843739  2.278336       3.687478 
1 1 1 9   1  27 o 13.39674 3.636668  5.321415       7.273336 
1 1 1 9   1  28 o 32.07476 2.537526  -7.681192      5.075051 
1 1 1 9   1  29 o 16.58196 3.340860  9.060547       6.681720 
1 1 1 9   1  30 o 37.03509 2.361399  -0.5311089     4.722797 
1 1 1 9   1  31 x ?        ?         ?              ?        
1 1 1 9   1  32 x ?        ?         ?              ?        
1 1 1 9   2  0  o 97.94843 1.969504  ?              ?        
1 1 1 9   2  1  o 147.3152 2.278546  -10.54935      4.557092 
1 1 1 9   2  2  o 164.2178 1.749472  -10.35147      3.498944 
1 1 1 9   2  3  o 50.50624 1.325109  -2.139141      2.650217 
1 1 1 9   2  4  o 102.0771 1.516056  -0.3313370     3.032112 
1 1 1 9   2  5  o 203.5872 2.466046  -2.478195      4.932092 
1 1 1 9   2  6  o 36.39902 1.175488  5.397942       2.350977 
1 1 1 9   2  7  x ?        ?         ?              ?        
1 1 1 9   2  8  o 129.0169 2.052342  ?              ?        
1 1 1 9   2  9  o 66.19390 2.143185  ?              ?        
1 1 1 9   2  10 o 114.5922 2.598891  ?              ?        
1 1 1 9   2  11 o 24.27443 3.570749  ?              ?        
1 1 1 9   2  12 o 253.7362 4.908766  ?              ?        
1 1 1 9   2  13 o 180.5226 3.578434  ?              ?        
1 1 1 9   2  14 o 241.5434 3.296098  ?              ?        
1 1 1 9   2  15 o 122.9259 1.766361  -5.519188      3.532722 
1 1 1 9   2  16 o 172.4891 2.272820  1.378952       4.545640 
1 1 1 9   2  17 o 30.50971 3.185041  ?              ?        
1 1 1 9   2  18 o 101.2582 2.078989  2.337631       4.157978 
1 1 1 9   2  19 o 135.7899 2.078088  -1.418762      4.156177 
1 1 1 9   2  20 o 25.71406 2.479647  ?              ?        
1 1 1 9   2  21 o 111.5467 2.153156  6.471001       4.306312 
1 1 1 9   2  22 o 87.81961 2.149566  4.184715       4.299132 
1 1 1 9   2  23 o 24.34912 3.592540  -5.351015      7.185080 
1 1 1 9   2  24 o 82.28063 1.850017  -1.547958      3.700034 
1 1 1 9   2  25 o 93.62834 1.862536  -5.148026      3.725073 
1 1 1 9   2  26 o 49.87703 2.145166  -1.525002      4.290333 
1 1 1 9   2  27 o 26.15449 3.132529  -1.613834      6.265057 
1 1 1 9   2  28 o 24.57124 2.896243  5.995893       5.792485 
1 1 1 9   2  29 o 20.99391 3.546480  -1.718739      7.092959 
1 1 1 9   2  30 o 19.41385 3.062393  -6.776970      6.124786 
1 1 1 9   2  31 x ?        ?         ?              ?        
1 1 1 9   2  32 x ?        ?         ?              ?        
1 1 1 9   3  0  f 193.1729 2.491119  -0.8149414     4.982237 
1 1 1 9   3  1  o 41.40362 1.448644  -8.578201      2.897288 
1 1 1 9   3  2  o 57.69010 1.520127  -2.422092      3.040255 
1 1 1 9   3  3  o 242.1748 2.988191  2.690353       5.976382 
1 1 1 9   3  4  o 360.2368 4.244658  -1.120178      8.489315 
1 1 1 9   3  5  o 241.6647 2.903088  -6.963135      5.806175 
1 1 1 9   3  6  o 133.5334 1.799182  -4.600159      3.598363 
1 1 1 9   3  7  o 236.3565 3.306463  ?              ?        
1 1 1 9   3  8  o 407.0050 5.473553  ?              ?        
1 1 1 9   3  9  o 223.6829 2.552437  ?              ?        
1 1 1 9   3  10 f 130.0028 1.618248  ?              ?        
1 1 1 9   3  11 o 69.06292 1.104486  ?              ?        
1 1 1 9   3  12 o 243.4762 2.734011  ?              ?        
1 1 1 9   3  13 o 71.89604 1.225326  ?              ?        
1 1 1 9   3  14 f 303.2920 4.126019  ?              ?        
1 1 1 9   3  15 o 119.5996 2.062306  -1.290909      4.124612 
1 1 1 9   3  16 o 95.51786 1.926822  3.040955       3.853644 
1 1 1 9   3  17 o 47.81700 2.378921  ?              ?        
1 1 1 9   3  18 o 67.67830 1.810570  -0.4188080     3.621140 
1 1 1 9   3  19 o 53.01056 1.619313  ?              ?        
1 1 1 9   3  20 o 92.46483 1.977861  -8.925331      3.955723 
1 1 1 9   3  21 o 47.68185 2.525271  -7.521332      5.050542 
1 1 1 9   3  22 o 132.8430 2.466420  1.267578       4.932840 
1 1 1 9   3  23 o 26.03038 4.132871  -6.867384      8.265742 
1 1 1 9   3  24 o 25.20768 4.178442  10.64407       8.356884 
1 1 1 9   3  25 o 37.21944 3.202078  3.940434       6.404156 
1 1 1 9   3  26 o 62.60746 2.498097  -16.48534      4.996195 
1 1 1 9   3  27 o 36.48071 2.821457  0.6850166      5.642915 
1 1 1 9   3  28 o 22.35679 4.018551  13.00888       8.037103 
1 1 1 9   3  29 o 33.58225 2.679420  -2.108295      5.358840 
1 1 1 9   3  30 o 24.02654 3.258022  -5.910099      6.516045 
1 1 1 9   3  31 x ?        ?         ?              ?        
1 1 1 9   4  0  o 206.4290 3.083287  ?              ?        
1 1 1 9   4  1  o 95.94105 1.985781  1.719666       3.971563 
1 1 1 9   4  2  o 60.81862 1.823443  -2.378750      3.646886 
1 1 1 9   4  3  o 212.6903 3.184806  -3.349518      6.369612 
1 1 1 9   4  4  o 78.03790 1.616926  -3.715759      3.233851 
1 1 1 9   4  5  o 97.91283 1.868195  4.842331       3.736389 
1 1 1 9   4  6  o 432.2843 5.838124  -3.387817      11.67625 
1 1 1 9   4  7  o 70.25798 2.326793  ?              ?        
1 1 1 9   4  8  o 63.21384 2.281329  ?              ?        
1 1 1 9   4  9  o 263.7864 5.163702  ?              ?        
1 1 1 9   4  10 o 117.1533 2.007120  ?              ?        
1 1 1 9   4  11 o 108.5051 1.866785  ?              ?        
1 1 1 9   4  12 o 98.21751 1.728822  ?              ?        
1 1 1 9   4  13 o 259.3937 2.940923  ?              ?        
1 1 1 9   4  14 o 135.8876 2.110200  ?              ?        
1 1 1 9   4  15 o 89.03854 1.827957  -0.6294708     3.655913 
1 1 1 9   4  16 o 97.98695 1.853511  -10.15961      3.707022 
1 1 1 9   4  17 o 58.72029 1.651595  ?              ?        
1 1 1 9   4  18 o 166.8852 2.369372  -4.954254      4.738743 
1 1 1 9   4  19 o 74.22977 1.996408  -4.637405      3.992816 
1 1 1 9   4  20 o 88.22191 2.091254  -1.200539      4.182508 
1 1 1 9   4  21 o 130.7818 2.502383  0.6244354      5.004766 
1 1 1 9   4  22 o 56.72527 2.588422  -1.933468      5.176844 
1 1 1 9   4  23 f 84.64029 2.331083  -0.5841064E-01 4.662166 
1 1 1 9   4  24 o 47.18377 5.781727  ?              ?        
1 1 1 9   4  25 o 26.05571 4.246150  -6.736717      8.492299 
1 1 1 9   4  26 o 83.32439 2.342931  -12.64836      4.685862 
1 1 1 9   4  27 o 39.57588 3.130573  -0.1003799     6.261146 
1 1 1 9   4  28 o 40.09441 4.791837  ?              ?        
1 1 1 9   4  29 o 28.33494 5.506211  ?              ?        
1 1 1 9   4  30 x ?        ?         ?              ?        
1 1 1 9   4  31 x ?        ?         ?              ?        
1 1 1 9   5  0  o 63.93663 1.848764  -0.8004074     3.697528 
1 1 1 9   5  1  o 218.1329 3.287330  ?              ?        
1 1 1 9   5  2  o 129.9510 2.416920  ?              ?        
1 1 1 9   5  3  o 302.4426 4.236577  -6.684021      8.473153 
1 1 1 9   5  4  o 301.4193 4.213234  4.029297       8.426469 
1 1 1 9   5  5  o 143.7072 3.361564  ?              ?        
1 1 1 9   5  6  o 97.89764 2.788719  ?              ?        
1 1 1 9   5  7  o 299.4255 4.185770  ?              ?        
1 1 1 9   5  8  o 62.59639 2.126739  ?              ?        
1 1 1 9   5  9  o 78.22551 2.109079  ?              ?        
1 1 1 9   5  10 o 171.3980 2.726417  ?              ?        
1 1 1 9   5  11 o 205.5955 2.525054  ?              ?        
1 1 1 9   5  12 o 182.7889 2.301069  ?              ?        
1 1 1 9   5  13 o 27.50907 2.442932  ?              ?        
1 1 1 9   5  14 o 66.46216 1.820179  ?              ?        
1 1 1 9   5  15 o 137.0802 2.209762  ?              ?        
1 1 1 9   5  16 o 52.34744 1.993172  0.6245651      3.986343 
1 1 1 9   5  17 o 69.26347 3.605038  ?              ?        
1 1 1 9   5  18 o 108.2601 2.061025  7.153160       4.122050 
1 1 1 9   5  19 o 110.4827 2.076170  -5.323921      4.152340 
1 1 1 9   5  20 o 149.8015 2.748218  -1.838547      5.496436 
1 1 1 9   5  21 o 224.6131 3.146406  8.136185       6.292812 
1 1 1 9   5  22 o 25.54554 4.348770  -1.922485      8.697539 
1 1 1 9   5  23 o 98.75220 2.435051  -3.712807      4.870102 
1 1 1 9   5  24 o 130.9754 2.583154  -3.142761      5.166308 
1 1 1 9   5  25 o 69.99954 2.964697  -8.915779      5.929395 
1 1 1 9   5  26 o 20.56839 4.008475  -6.436222      8.016950 
1 1 1 9   5  27 o 12.98030 3.468011  -5.320498      6.936022 
1 1 1 9   5  28 x ?        ?         ?              ?        
1 1 1 9   5  29 o 28.01860 5.358334  ?              ?        
1 1 1 9   5  30 o 14.06093 4.058271  -1.687920      8.116543 
1 1 1 9   5  31 x ?        ?         ?              ?        
1 1 1 9   6  0  o 152.4863 2.350738  4.422897       4.701475 
1 1 1 9   6  1  o 192.6294 2.681917  2.571854       5.363834 
1 1 1 9   6  2  o 188.5782 2.972925  3.622574       5.945850 
1 1 1 9   6  3  o 324.6628 4.559141  -2.007782      9.118281 
1 1 1 9   6  4  o 155.7386 3.671732  ?              ?        
1 1 1 9   6  5  o 483.6580 6.570574  -5.519073      13.14115 
1 1 1 9   6  6  o 379.3797 7.378878  ?              ?        
1 1 1 9   6  7  o 95.35423 2.185219  ?              ?        
1 1 1 9   6  8  f 167.0815 2.750826  ?              ?        
1 1 1 9   6  9  o 85.79084 2.407756  ?              ?        
1 1 1 9   6  10 o 68.85519 3.830648  ?              ?        
1 1 1 9   6  11 o 272.5721 5.651849  ?              ?        
1 1 1 9   6  12 f 125.3170 2.500311  ?              ?        
1 1 1 9   6  13 o 242.3385 2.906184  ?              ?        
1 1 1 9   6  14 o 147.4980 2.532933  ?              ?        
1 1 1 9   6  15 o 37.17365 2.436363  ?              ?        
1 1 1 9   6  16 o 111.9568 2.119782  ?              ?        
1 1 1 9   6  17 o 58.09674 2.747650  2.921005       5.495301 
1 1 1 9   6  18 o 120.6615 2.607185  -5.033394      5.214370 
1 1 1 9   6  19 o 43.67167 2.560111  2.086498       5.120221 
1 1 1 9   6  20 o 99.80075 2.218824  -4.911560      4.437648 
1 1 1 9   6  21 o 100.1508 2.287070  -1.069794      4.574141 
1 1 1 9   6  22 o 53.60365 2.782266  6.597588       5.564532 
1 1 1 9   6  23 o 79.67580 2.740914  1.003304       5.481829 
1 1 1 9   6  24 o 45.99636 3.451481  0.3880005      6.902963 
1 1 1 9   6  25 o 87.07337 2.522968  0.5372925      5.045936 
1 1 1 9   6  26 o 55.16035 2.213292  ?              ?        
1 1 1 9   6  27 o 40.56906 3.108701  -7.568565      6.217401 
1 1 1 9   6  28 o 20.69554 7.086900  ?              ?        
1 1 1 9   6  29 o 13.80143 3.782949  -0.9738846     7.565899 
1 1 1 9   6  30 o 24.02460 4.217813  -13.09755      8.435626 
1 1 1 9   6  31 x ?        ?         ?              ?        
1 1 1 9   7  0  o 255.3443 3.789443  1.993256       7.578886 
1 1 1 9   7  1  o 89.93294 2.277628  -0.5182037     4.555255 
1 1 1 9   7  2  f 382.6031 5.324591  11.81943       10.64918 
1 1 1 9   7  3  o 279.7047 4.040392  -9.226013      8.080785 
1 1 1 9   7  4  o 225.5896 3.406954  -2.920700      6.813908 
1 1 1 9   7  5  o 97.06567 2.252934  1.876251       4.505869 
1 1 1 9   7  6  o 151.9907 3.739959  ?              ?        
1 1 1 9   7  7  o 166.8616 2.811194  ?              ?        
1 1 1 9   7  8  o 116.2425 2.488851  ?              ?        
1 1 1 9   7  9  o 26.24454 4.847515  ?              ?        
1 1 1 9   7  10 o 69.10336 2.592823  ?              ?        
1 1 1 9   7  11 o 34.59319 3.689081  ?              ?        
1 1 1 9   7  12 o 181.5220 3.006361  ?              ?        
1 1 1 9   7  13 o 105.7080 2.451281  ?              ?        
1 1 1 9   7  14 o 68.99754 3.676043  ?              ?        
1 1 1 9   7  15 o 95.72186 2.324241  ?              ?        
1 1 1 9   7  16 o 125.4839 3.753193  ?              ?        
1 1 1 9   7  17 o 47.84248 2.605382  -2.957386      5.210765 
1 1 1 9   7  18 o 74.86639 2.297229  12.30637       4.594457 
1 1 1 9   7  19 o 87.76980 2.291815  3.346039       4.583631 
1 1 1 9   7  20 o 90.75108 2.428797  -6.464073      4.857594 
1 1 1 9   7  21 o 111.1019 2.560018  7.167374       5.120036 
1 1 1 9   7  22 o 105.6222 2.497787  -2.505531      4.995574 
1 1 1 9   7  23 o 77.55322 2.604342  4.877007       5.208683 
1 1 1 9   7  24 o 35.95024 2.830976  ?              ?        
1 1 1 9   7  25 o 28.57997 4.421011  1.024994       8.842022 
1 1 1 9   7  26 o 67.18633 2.545663  -12.44383      5.091327 
1 1 1 9   7  27 o 56.60028 2.657979  -11.28273      5.315958 
1 1 1 9   7  28 o 28.57091 3.540906  1.520519       7.081812 
1 1 1 9   7  29 o 42.08994 2.655779  -16.40342      5.311558 
1 1 1 9   7  30 o 44.83813 3.235204  -21.46166      6.470407 
1 1 1 9   7  31 x ?        ?         ?              ?        
1 1 1 9   8  0  o 115.0606 2.521878  0.6414642      5.043756 
1 1 1 9   8  1  o 83.14052 2.433974  3.115326       4.867949 
1 1 1 9   8  2  f 191.4324 3.136816  -4.218658      6.273632 
1 1 1 9   8  3  o 138.3834 2.640808  -3.032059      5.281615 
1 1 1 9   8  4  o 268.8406 3.957580  -7.994751      7.915160 
1 1 1 9   8  5  o 33.18946 5.185156  ?              ?        
1 1 1 9   8  6  o 167.1213 4.053008  ?              ?        
1 1 1 9   8  7  f 175.2956 3.008682  ?              ?        
1 1 1 9   8  8  o 65.55369 2.800117  ?              ?        
1 1 1 9   8  9  o 113.7075 2.634113  ?              ?        
1 1 1 9   8  10 o 110.2027 2.598444  ?              ?        
1 1 1 9   8  11 o 208.6768 3.346135  ?              ?        
1 1 1 9   8  12 o 63.94058 2.667656  ?              ?        
1 1 1 9   8  13 o 170.3169 2.980560  ?              ?        
1 1 1 9   8  14 o 199.5831 3.307030  ?              ?        
1 1 1 9   8  15 o 220.7763 3.501951  ?              ?        
1 1 1 9   8  16 o 168.9758 4.338897  ?              ?        
1 1 1 9   8  17 o 38.60951 3.731088  ?              ?        
1 1 1 9   8  18 o 136.8883 2.766434  2.219955       5.532867 
1 1 1 9   8  19 o 47.42052 2.983188  5.099369       5.966376 
1 1 1 9   8  20 o 75.73412 2.605424  1.714073       5.210849 
1 1 1 9   8  21 o 89.59023 2.710069  -11.22575      5.420137 
1 1 1 9   8  22 o 93.15311 2.117145  ?              ?        
1 1 1 9   8  23 o 86.82394 2.653903  6.378822       5.307806 
1 1 1 9   8  24 o 59.61546 2.946069  -4.608917      5.892138 
1 1 1 9   8  25 x ?        ?         ?              ?        
1 1 1 9   8  26 o 41.48271 3.690117  -18.93659      7.380234 
1 1 1 9   8  27 o 50.30187 3.057798  -22.27062      6.115596 
1 1 1 9   8  28 o 40.33560 3.526557  -16.40112      7.053114 
1 1 1 9   8  29 o 33.02004 3.887797  -14.69786      7.775593 
1 1 1 9   8  30 o 13.00451 4.148608  -3.913013      8.297215 
1 1 1 9   9  0  o 236.8844 5.299105  ?              ?        
1 1 1 9   9  1  o 205.8552 3.357961  2.685440       6.715922 
1 1 1 9   9  2  o 108.8036 2.610586  6.293495       5.221173 
1 1 1 9   9  3  o 344.7009 4.920733  -1.256042      9.841467 
1 1 1 9   9  4  o 268.5806 4.014633  4.365173       8.029265 
1 1 1 9   9  5  o 182.6830 4.401630  ?              ?        
1 1 1 9   9  6  o 240.1427 5.248589  ?              ?        
1 1 1 9   9  7  o 65.95560 2.956178  ?              ?        
1 1 1 9   9  8  o 179.6871 3.166754  ?              ?        
1 1 1 9   9  9  o 117.6273 2.760973  ?              ?        
1 1 1 9   9  10 o 40.00639 3.765739  ?              ?        
1 1 1 9   9  11 o 146.2944 3.890041  ?              ?        
1 1 1 9   9  12 o 103.3018 3.565437  ?              ?        
1 1 1 9   9  13 o 124.2677 3.683353  ?              ?        
1 1 1 9   9  14 o 81.17623 2.179361  ?              ?        
1 1 1 9   9  15 o 169.5273 3.133109  ?              ?        
1 1 1 9   9  16 o 94.16899 2.732078  ?              ?        
1 1 1 9   9  17 o 109.3745 2.668695  ?              ?        
1 1 1 9   9  18 o 47.18283 3.173338  ?              ?        
1 1 1 9   9  19 o 44.47963 3.207729  ?              ?        
1 1 1 9   9  20 o 35.03238 4.516484  -5.979958      9.032969 
1 1 1 9   9  21 o 125.8821 2.702559  -0.8697891     5.405118 
1 1 1 9   9  22 f 71.11200 2.840439  -2.168877      5.680877 
1 1 1 9   9  23 o 55.53844 3.322740  -11.73070      6.645481 
1 1 1 9   9  24 o 29.96216 4.304678  -12.96830      8.609356 
1 1 1 9   9  25 o 54.33915 5.624417  ?              ?        
1 1 1 9   9  26 o 68.91876 3.135015  -3.533669      6.270031 
1 1 1 9   9  27 o 61.62880 3.295592  -5.342400      6.591185 
1 1 1 9   9  28 o 40.39199 3.678072  -29.40646      7.356143 
1 1 1 9   9  29 o 24.72342 3.508756  -22.42810      7.017511 
1 1 1 9   9  30 o 9.270782 4.514118  ?              ?        
1 1 1 9   10 0  o 262.2342 4.043827  5.394379       8.087654 
1 1 1 9   10 1  o 189.5987 3.279926  2.919724       6.559851 
1 1 1 9   10 2  o 12.54025 5.881238  ?              ?        
1 1 1 9   10 3  o 227.4469 5.140651  ?              ?        
1 1 1 9   10 4  o 136.5240 2.868422  4.423630       5.736845 
1 1 1 9   10 5  o 156.6627 4.224479  ?              ?        
1 1 1 9   10 6  o 220.9918 5.080649  ?              ?        
1 1 1 9   10 7  o 240.4599 3.819351  ?              ?        
1 1 1 9   10 8  o 153.4691 3.040825  ?              ?        
1 1 1 9   10 9  o 140.5099 2.922669  ?              ?        
1 1 1 9   10 10 o 198.1191 3.389679  ?              ?        
1 1 1 9   10 11 o 53.90889 3.087750  ?              ?        
1 1 1 9   10 12 o 111.2185 2.764372  ?              ?        
1 1 1 9   10 13 o 101.0713 2.773044  ?              ?        
1 1 1 9   10 14 o 131.9985 2.889779  ?              ?        
1 1 1 9   10 15 o 114.6069 2.977645  ?              ?        
1 1 1 9   10 16 o 99.74929 2.924549  ?              ?        
1 1 1 9   10 17 o 79.56141 2.901582  ?              ?        
1 1 1 9   10 18 o 135.7359 2.953942  ?              ?        
1 1 1 9   10 19 o 128.1344 2.898122  ?              ?        
1 1 1 9   10 20 o 85.28635 2.891694  1.436890       5.783389 
1 1 1 9   10 21 o 80.07906 2.827855  1.059784       5.655709 
1 1 1 9   10 22 o 37.27106 4.555692  -7.026188      9.111384 
1 1 1 9   10 23 o 42.00880 3.980817  -2.636566      7.961634 
1 1 1 9   10 24 o 31.98028 5.354928  -6.481918      10.70986 
1 1 1 9   10 25 o 79.49982 2.846911  -8.854729      5.693822 
1 1 1 9   10 26 o 67.80241 5.329834  ?              ?        
1 1 1 9   10 27 x ?        ?         ?              ?        
1 1 1 9   10 28 o 37.28902 3.978700  -7.313477      7.957399 
1 1 1 9   10 29 o 18.84789 4.185217  -6.393033      8.370434 
1 1 1 9   11 0  o 177.1065 3.290930  10.59422       6.581860 
1 1 1 9   11 1  o 243.9663 5.495671  ?              ?        
1 1 1 9   11 2  o 72.73949 4.333960  ?              ?        
1 1 1 9   11 3  o 55.54552 3.494093  0.8649521      6.988185 
1 1 1 9   11 4  o 109.9490 4.061107  ?              ?        
1 1 1 9   11 5  o 60.39026 4.679657  ?              ?        
1 1 1 9   11 6  o 165.9724 3.223083  ?              ?        
1 1 1 9   11 7  f 228.3371 3.755435  ?              ?        
1 1 1 9   11 8  o 50.65074 5.197808  ?              ?        
1 1 1 9   11 9  o 88.94015 4.202951  ?              ?        
1 1 1 9   11 10 o 103.7382 4.220397  ?              ?        
1 1 1 9   11 11 o 203.5827 5.082489  ?              ?        
1 1 1 9   11 12 o 56.85116 4.767804  ?              ?        
1 1 1 9   11 13 o 220.9775 5.387713  ?              ?        
1 1 1 9   11 14 o 135.6168 4.457678  ?              ?        
1 1 1 9   11 15 o 147.8272 3.099375  ?              ?        
1 1 1 9   11 16 o 114.5685 3.163284  ?              ?        
1 1 1 9   11 17 o 65.42558 3.419062  ?              ?        
1 1 1 9   11 18 o 24.95562 6.559815  ?              ?        
1 1 1 9   11 19 o 60.10269 3.596866  ?              ?        
1 1 1 9   11 20 o 72.39538 5.245601  ?              ?        
1 1 1 9   11 21 o 132.1134 3.478198  2.837585       6.956396 
1 1 1 9   11 22 o 33.18939 4.835430  -9.101723      9.670860 
1 1 1 9   11 23 o 117.9396 2.896774  6.070213       5.793548 
1 1 1 9   11 24 o 102.2715 2.920335  -6.009476      5.840670 
1 1 1 9   11 25 o 27.42716 4.617416  -9.245686      9.234832 
1 1 1 9   11 26 o 72.44547 5.291558  ?              ?        
1 1 1 9   11 27 o 25.80732 7.500355  ?              ?        
1 1 1 9   11 28 o 14.95141 6.427518  ?              ?        
1 1 1 9   11 29 o 29.54029 5.724242  ?              ?        
1 1 1 9   12 0  o 259.9523 4.136914  -4.541138      8.273829 
1 1 1 9   12 1  o 186.6209 3.441798  -9.050705      6.883597 
1 1 1 9   12 2  o 27.99134 5.677740  -9.302935      11.35548 
1 1 1 9   12 3  o 79.90762 3.187697  -2.401497      6.375393 
1 1 1 9   12 4  o 151.2617 4.420210  ?              ?        
1 1 1 9   12 5  o 157.5284 4.492245  ?              ?        
1 1 1 9   12 6  o 160.2507 3.211005  ?              ?        
1 1 1 9   12 7  o 148.3667 3.122763  ?              ?        
1 1 1 9   12 8  o 74.23252 3.074083  ?              ?        
1 1 1 9   12 9  o 63.05629 3.163458  ?              ?        
1 1 1 9   12 10 o 153.2629 3.150039  ?              ?        
1 1 1 9   12 11 o 22.48282 5.715751  ?              ?        
1 1 1 9   12 12 o 173.7384 3.323856  ?              ?        
1 1 1 9   12 13 o 55.56932 3.338078  ?              ?        
1 1 1 9   12 14 o 170.3681 3.335543  ?              ?        
1 1 1 9   12 15 f 113.6063 3.127501  ?              ?        
1 1 1 9   12 16 o 11.12684 5.332986  ?              ?        
1 1 1 9   12 17 o 74.90457 3.633872  ?              ?        
1 1 1 9   12 18 o 24.45501 7.231090  ?              ?        
1 1 1 9   12 19 f 96.89673 3.298012  ?              ?        
1 1 1 9   12 20 o 23.75135 6.973719  ?              ?        
1 1 1 9   12 21 o 74.54752 3.212258  ?              ?        
1 1 1 9   12 22 o 30.90903 6.193271  ?              ?        
1 1 1 9   12 23 o 39.64606 4.392278  -7.446621      8.784556 
1 1 1 9   12 24 o 71.92924 3.134575  -2.275070      6.269150 
1 1 1 9   12 25 o 59.37381 3.155546  -19.41417      6.311092 
1 1 1 9   12 26 x ?        ?         ?              ?        
1 1 1 9   12 27 o 52.18445 5.213902  ?              ?        
1 1 1 9   12 28 o 32.66110 6.450628  ?              ?        
1 1 1 9   13 0  o 155.0792 3.297143  13.81944       6.594285 
1 1 1 9   13 1  o 103.6284 3.121883  -3.658539      6.243766 
1 1 1 9   13 2  o 210.1256 3.665224  -8.565765      7.330449 
1 1 1 9   13 3  o 280.8758 6.183925  ?              ?        
1 1 1 9   13 4  o 166.5236 4.614717  ?              ?        
1 1 1 9   13 5  o 90.07247 4.398790  ?              ?        
1 1 1 9   13 6  o 84.13844 3.112466  ?              ?        
1 1 1 9   13 7  o 57.07000 3.431949  ?              ?        
1 1 1 9   13 8  o 59.85489 3.322529  ?              ?        
1 1 1 9   13 9  o 82.02258 3.033603  ?              ?        
1 1 1 9   13 10 o 60.58503 3.210040  ?              ?        
1 1 1 9   13 11 o 99.36589 2.993440  ?              ?        
1 1 1 9   13 12 o 165.2063 3.352933  ?              ?        
1 1 1 9   13 13 o 114.1345 3.135344  ?              ?        
1 1 1 9   13 14 o 57.89312 3.623438  ?              ?        
1 1 1 9   13 15 o 54.83348 5.893626  ?              ?        
1 1 1 9   13 16 o 159.6166 3.428929  ?              ?        
1 1 1 9   13 17 f 98.91280 3.659043  ?              ?        
1 1 1 9   13 18 o 47.57064 6.580759  ?              ?        
1 1 1 9   13 19 o 42.61440 7.085761  ?              ?        
1 1 1 9   13 20 o 45.19698 4.557280  ?              ?        
1 1 1 9   13 21 o 82.03917 3.313994  ?              ?        
1 1 1 9   13 22 o 19.98199 6.482122  ?              ?        
1 1 1 9   13 23 o 44.58179 3.593765  ?              ?        
1 1 1 9   13 24 o 30.43555 4.615453  -3.819611      9.230906 
1 1 1 9   13 25 o 21.88408 3.861656  -15.59317      7.723312 
1 1 1 9   13 26 o 34.29659 4.014963  -4.686831      8.029925 
1 1 1 9   13 27 o 49.96416 5.152224  ?              ?        
1 1 1 9   13 28 o 13.83807 3.903897  -5.270473      7.807794 
1 1 1 9   14 0  o 148.1470 3.333572  1.197006       6.667145 
1 1 1 9   14 1  f 116.8965 3.154247  8.008522       6.308493 
1 1 1 9   14 2  o 135.4113 3.185792  1.098114       6.371584 
1 1 1 9   14 3  o 121.0638 4.462363  ?              ?        
1 1 1 9   14 4  o 108.8886 4.498625  ?              ?        
1 1 1 9   14 5  o 86.19708 4.494384  ?              ?        
1 1 1 9   14 6  o 104.0637 3.074633  ?              ?        
1 1 1 9   14 7  o 65.48030 3.253404  ?              ?        
1 1 1 9   14 8  o 68.05662 3.243590  ?              ?        
1 1 1 9   14 9  o 162.5732 3.360523  ?              ?        
1 1 1 9   14 10 o 60.27958 4.774603  ?              ?        
1 1 1 9   14 11 o 50.56348 5.033741  ?              ?        
1 1 1 9   14 12 o 90.06573 4.365491  ?              ?        
1 1 1 9   14 13 o 16.65632 7.036109  ?              ?        
1 1 1 9   14 14 o 132.8514 3.397695  ?              ?        
1 1 1 9   14 15 o 174.4191 3.620901  ?              ?        
1 1 1 9   14 16 o 151.2533 3.510802  ?              ?        
1 1 1 9   14 17 o 114.7516 3.442027  ?              ?        
1 1 1 9   14 18 o 26.66931 7.777049  ?              ?        
1 1 1 9   14 19 o 76.86239 3.778646  ?              ?        
1 1 1 9   14 20 o 72.10162 3.687873  ?              ?        
1 1 1 9   14 21 o 46.72887 4.503913  ?              ?        
1 1 1 9   14 22 o 125.3088 3.161025  ?              ?        
1 1 1 9   14 23 o 26.65257 5.223709  ?              ?        
1 1 1 9   14 24 o 32.92935 4.382773  ?              ?        
1 1 1 9   14 25 o 27.56739 4.556267  ?              ?        
1 1 1 9   14 26 o 16.61134 4.339226  -0.5569534     8.678452 
1 1 1 9   14 27 f 13.44338 3.546724  -7.869848      7.093448 
1 1 1 9   15 0  o 103.5988 3.244732  4.288986       6.489465 
1 1 1 9   15 1  o 46.37839 5.682749  ?              ?        
1 1 1 9   15 2  x ?        ?         ?              ?        
1 1 1 9   15 3  o 74.85072 4.666431  ?              ?        
1 1 1 9   15 4  o 151.3393 4.701035  ?              ?        
1 1 1 9   15 5  o 62.86708 3.442138  ?              ?        
1 1 1 9   15 6  o 122.7724 3.203501  ?              ?        
1 1 1 9   15 7  o 179.4644 3.513473  ?              ?        
1 1 1 9   15 8  o 221.7296 3.902297  ?              ?        
1 1 1 9   15 9  o 96.81191 3.242020  ?              ?        
1 1 1 9   15 10 f 15.83729 6.322642  ?              ?        
1 1 1 9   15 11 o 132.5771 3.349836  ?              ?        
1 1 1 9   15 12 o 49.15593 4.160355  ?              ?        
1 1 1 9   15 13 o 40.88311 4.935228  ?              ?        
1 1 1 9   15 14 x ?        ?         ?              ?        
1 1 1 9   15 15 f 52.85823 4.401054  ?              ?        
1 1 1 9   15 16 o 19.73467 7.346125  ?              ?        
1 1 1 9   15 17 f 92.28661 4.731568  ?              ?        
1 1 1 9   15 18 o 81.51469 3.175348  ?              ?        
1 1 1 9   15 19 o 32.36283 6.755324  ?              ?        
1 1 1 9   15 20 o 12.77964 5.795905  ?              ?        
1 1 1 9   15 21 o 41.74688 4.322259  ?              ?        
1 1 1 9   15 22 x ?        ?         ?              ?        
1 1 1 9   15 23 o 61.65946 3.102958  ?              ?        
1 1 1 9   15 24 o 15.33880 5.704584  ?              ?        
1 1 1 9   15 25 o 41.67884 4.831426  ?              ?        
1 1 1 9   15 26 o 9.963265 4.702205  ?              ?        
1 1 1 9   15 27 o 13.81302 5.337314  ?              ?        
1 1 1 9   16 0  o 112.4008 4.649238  ?              ?        
1 1 1 9   16 1  o 107.8143 4.630669  ?              ?        
1 1 1 9   16 2  o 89.77973 4.638544  ?              ?        
1 1 1 9   16 3  o 50.21316 5.516007  ?              ?        
1 1 1 9   16 4  o 26.95149 7.477261  ?              ?        
1 1 1 9   16 5  o 65.84718 3.566325  ?              ?        
1 1 1 9   16 6  o 13.74831 5.879727  ?              ?        
1 1 1 9   16 7  o 69.56393 3.536800  ?              ?        
1 1 1 9   16 8  f 136.0864 3.412622  ?              ?        
1 1 1 9   16 9  o 45.80088 6.638474  ?              ?        
1 1 1 9   16 10 o 120.1222 4.990050  ?              ?        
1 1 1 9   16 11 o 33.39466 8.894884  ?              ?        
1 1 1 9   16 12 o 87.69373 5.332965  ?              ?        
1 1 1 9   16 13 o 74.59357 4.042089  ?              ?        
1 1 1 9   16 14 o 139.1578 3.596372  ?              ?        
1 1 1 9   16 15 o 25.77520 7.563355  ?              ?        
1 1 1 9   16 16 o 61.83343 4.226631  ?              ?        
1 1 1 9   16 17 o 85.04644 5.044815  ?              ?        
1 1 1 9   16 18 o 37.58611 4.537396  ?              ?        
1 1 1 9   16 19 o 26.23841 7.022634  ?              ?        
1 1 1 9   16 20 o 31.24309 8.304799  ?              ?        
1 1 1 9   16 21 o 26.18849 7.745690  ?              ?        
1 1 1 9   16 22 o 45.04595 5.443952  ?              ?        
1 1 1 9   16 23 o 30.09538 4.486032  ?              ?        
1 1 1 9   16 24 o 12.33921 5.320646  ?              ?        
1 1 1 9   16 25 o 10.29177 4.983283  ?              ?        
1 1 1 9   16 26 o 11.40163 4.849265  ?              ?        
1 1 1 9   17 0  f 45.48553 4.326334  -0.5073929E-01 8.652667 
1 1 1 9   17 1  o 76.67667 5.063018  ?              ?        
1 1 1 9   17 2  o 41.13791 6.546851  ?              ?        
1 1 1 9   17 3  o 71.53390 5.105025  ?              ?        
1 1 1 9   17 4  o 168.6463 3.600672  ?              ?        
1 1 1 9   17 5  o 100.8869 3.385334  ?              ?        
1 1 1 9   17 6  o 46.98903 4.312683  ?              ?        
1 1 1 9   17 7  o 13.41887 5.968423  ?              ?        
1 1 1 9   17 8  o 17.17302 6.816569  ?              ?        
1 1 1 9   17 9  o 140.7634 3.572187  ?              ?        
1 1 1 9   17 10 o 17.79097 6.959837  ?              ?        
1 1 1 9   17 11 o 45.14282 4.764031  ?              ?        
1 1 1 9   17 12 o 78.46532 3.840261  ?              ?        
1 1 1 9   17 13 o 85.54356 3.890469  ?              ?        
1 1 1 9   17 14 o 115.3955 5.518910  ?              ?        
1 1 1 9   17 15 o 38.13486 6.225115  ?              ?        
1 1 1 9   17 16 o 62.24783 4.412707  ?              ?        
1 1 1 9   17 17 o 88.96890 4.972717  ?              ?        
1 1 1 9   17 18 o 66.11123 3.860602  ?              ?        
1 1 1 9   17 19 o 23.08329 5.930865  ?              ?        
1 1 1 9   17 20 o 31.11179 4.426275  ?              ?        
1 1 1 9   17 21 o 15.92864 6.820729  ?              ?        
1 1 1 9   17 22 o 29.85491 6.493267  ?              ?        
1 1 1 9   17 23 o 20.57664 5.815763  ?              ?        
1 1 1 9   17 24 o 10.28414 4.676175  ?              ?        
1 1 1 9   17 25 o 20.10449 5.237910  ?              ?        
1 1 1 9   18 0  o 47.96272 6.454303  ?              ?        
1 1 1 9   18 1  o 63.95501 5.507423  ?              ?        
1 1 1 9   18 2  o 58.60922 5.823585  ?              ?        
1 1 1 9   18 3  o 32.75598 7.960290  ?              ?        
1 1 1 9   18 4  f 27.83703 6.421483  ?              ?        
1 1 1 9   18 5  o 72.60672 3.727386  ?              ?        
1 1 1 9   18 6  o 15.06894 6.367272  ?              ?        
1 1 1 9   18 7  o 48.41167 4.705592  ?              ?        
1 1 1 9   18 8  o 83.46530 3.830706  ?              ?        
1 1 1 9   18 9  o 46.19885 5.064864  ?              ?        
1 1 1 9   18 10 o 136.7081 3.712507  ?              ?        
1 1 1 9   18 11 o 111.0434 3.697817  ?              ?        
1 1 1 9   18 12 o 75.65221 4.064785  ?              ?        
1 1 1 9   18 13 o 185.2334 4.009537  ?              ?        
1 1 1 9   18 14 o 49.60830 5.069459  ?              ?        
1 1 1 9   18 15 o 35.29158 6.413002  ?              ?        
1 1 1 9   18 16 o 47.57505 6.461546  ?              ?        
1 1 1 9   18 17 o 114.4444 4.991344  ?              ?        
1 1 1 9   18 18 o 14.56124 6.244427  ?              ?        
1 1 1 9   18 19 o 36.97979 4.177319  ?              ?        
1 1 1 9   18 20 o 26.52502 4.409422  ?              ?        
1 1 1 9   18 21 o 15.68686 5.303143  ?              ?        
1 1 1 9   18 22 o 54.63567 3.309839  ?              ?        
1 1 1 9   18 23 o 17.12630 5.675387  ?              ?        
1 1 1 9   18 24 o 31.65136 4.059264  ?              ?        
1 1 1 9   19 0  o 37.34775 8.227342  ?              ?        
1 1 1 9   19 1  o 71.03445 5.552493  ?              ?        
1 1 1 9   19 2  o 112.6425 5.234494  ?              ?        
1 1 1 9   19 3  o 22.18598 8.767762  ?              ?        
1 1 1 9   19 4  o 70.98161 5.563225  ?              ?        
1 1 1 9   19 5  o 56.87056 6.021489  ?              ?        
1 1 1 9   19 6  o 54.69885 6.292836  ?              ?        
1 1 1 9   19 7  o 99.55662 5.433332  ?              ?        
1 1 1 9   19 8  o 58.65679 6.116539  ?              ?        
1 1 1 9   19 9  o 86.11830 5.380252  ?              ?        
1 1 1 9   19 10 o 81.30934 5.478478  ?              ?        
1 1 1 9   19 11 o 63.79662 4.696862  ?              ?        
1 1 1 9   19 12 o 21.11888 7.827670  ?              ?        
1 1 1 9   19 13 f 84.12101 3.992744  ?              ?        
1 1 1 9   19 14 o 97.99670 3.844098  ?              ?        
1 1 1 9   19 15 o 42.21387 5.063663  ?              ?        
1 1 1 9   19 16 o 45.74029 4.927685  ?              ?        
1 1 1 9   19 17 o 22.20387 6.901289  ?              ?        
1 1 1 9   19 18 o 64.68505 3.725753  ?              ?        
1 1 1 9   19 19 o 54.70901 3.650836  ?              ?        
1 1 1 9   19 20 o 56.67959 2.850136  ?              ?        
1 1 1 9   19 21 o 44.99811 2.943399  ?              ?        
1 1 1 9   19 22 o 21.97654 4.654601  ?              ?        
1 1 1 9   19 23 o 23.60939 5.557611  ?              ?        
1 1 1 9   20 0  o 86.98479 5.512890  ?              ?        
1 1 1 9   20 1  o 57.11460 7.078660  ?              ?        
1 1 1 9   20 2  x ?        ?         ?              ?        
1 1 1 9   20 3  o 101.0334 5.334529  ?              ?        
1 1 1 9   20 4  o 132.2506 5.375360  ?              ?        
1 1 1 9   20 5  o 135.0571 3.779018  ?              ?        
1 1 1 9   20 6  o 89.77094 3.964260  ?              ?        
1 1 1 9   20 7  o 47.93495 5.395975  ?              ?        
1 1 1 9   20 8  o 88.66907 4.040603  ?              ?        
1 1 1 9   20 9  o 56.33290 4.679121  ?              ?        
1 1 1 9   20 10 o 45.31186 5.696242  ?              ?        
1 1 1 9   20 11 o 29.70360 7.183541  ?              ?        
1 1 1 9   20 12 o 44.74448 5.272962  ?              ?        
1 1 1 9   20 13 o 58.23270 4.420997  ?              ?        
1 1 1 9   20 14 o 84.87639 3.798924  ?              ?        
1 1 1 9   20 15 x ?        ?         ?              ?        
1 1 1 9   20 16 o 11.89120 5.471534  ?              ?        
1 1 1 9   20 17 o 30.51162 7.264981  ?              ?        
1 1 1 9   20 18 o 13.61710 6.292393  ?              ?        
1 1 1 9   20 19 o 47.21241 4.791789  ?              ?        
1 1 1 9   20 20 o 23.56771 5.646039  ?              ?        
1 1 1 9   20 21 o 13.65271 4.951101  ?              ?        
1 1 1 9   20 22 o 17.64223 5.020079  ?              ?        
1 1 1 9   21 0  o 69.57658 6.298343  ?              ?        
1 1 1 9   21 1  o 86.79332 5.667140  ?              ?        
1 1 1 9   21 2  o 67.83232 4.332916  ?              ?        
1 1 1 9   21 3  o 53.33800 4.877972  ?              ?        
1 1 1 9   21 4  o 108.1012 3.850519  ?              ?        
1 1 1 9   21 5  o 85.54101 4.145264  ?              ?        
1 1 1 9   21 6  o 144.2656 3.923296  ?              ?        
1 1 1 9   21 7  o 54.29796 4.977202  ?              ?        
1 1 1 9   21 8  o 30.17764 7.405025  ?              ?        
1 1 1 9   21 9  o 75.26238 4.290423  ?              ?        
1 1 1 9   21 10 o 39.88878 6.015250  ?              ?        
1 1 1 9   21 11 o 80.55745 4.018828  ?              ?        
1 1 1 9   21 12 o 34.54640 6.378389  ?              ?        
1 1 1 9   21 13 o 40.41294 8.336476  ?              ?        
1 1 1 9   21 14 o 46.89072 4.652169  ?              ?        
1 1 1 9   21 15 o 24.91052 6.392613  ?              ?        
1 1 1 9   21 16 o 17.86170 6.371926  ?              ?        
1 1 1 9   21 17 o 31.05297 4.188173  ?              ?        
1 1 1 9   21 18 o 38.92834 3.760461  ?              ?        
1 1 1 9   21 19 o 18.41752 5.772465  ?              ?        
1 1 1 9   21 20 o 11.02653 4.715106  ?              ?        
1 1 1 9   21 21 f 12.05460 4.832546  ?              ?        
1 1 1 9   22 0  o 43.99615 8.724486  ?              ?        
1 1 1 9   22 1  o 42.07183 9.196701  ?              ?        
1 1 1 9   22 2  o 129.8723 3.858648  ?              ?        
1 1 1 9   22 3  o 16.81540 7.092554  ?              ?        
1 1 1 9   22 4  o 151.7199 3.908158  ?              ?        
1 1 1 9   22 5  o 43.23215 5.845627  ?              ?        
1 1 1 9   22 6  o 13.16454 6.117587  ?              ?        
1 1 1 9   22 7  o 36.88417 6.602959  ?              ?        
1 1 1 9   22 8  o 69.01672 4.233581  ?              ?        
1 1 1 9   22 9  o 39.21753 5.951196  ?              ?        
1 1 1 9   22 10 o 43.47438 5.254275  ?              ?        
1 1 1 9   22 11 o 52.45269 4.345825  ?              ?        
1 1 1 9   22 12 x ?        ?         ?              ?        
1 1 1 9   22 13 o 46.27435 4.463824  ?              ?        
1 1 1 9   22 14 o 25.67678 6.228585  ?              ?        
1 1 1 9   22 15 f 16.81408 5.928030  ?              ?        
1 1 1 9   22 16 o 32.13496 4.055532  ?              ?        
1 1 1 9   22 17 o 41.07407 3.633779  ?              ?        
1 1 1 9   22 18 f 44.26757 4.821357  ?              ?        
1 1 1 9   22 19 o 17.34502 6.369644  ?              ?        
1 1 1 9   22 20 o 12.18183 4.999957  ?              ?        
1 1 1 9   23 0  o 35.70774 9.886074  ?              ?        
1 1 1 9   23 1  o 109.1587 3.963084  ?              ?        
1 1 1 9   23 2  o 36.73830 6.573349  ?              ?        
1 1 1 9   23 3  o 101.4661 3.928730  ?              ?        
1 1 1 9   23 4  o 66.57686 4.378834  ?              ?        
1 1 1 9   23 5  o 90.77571 3.913562  ?              ?        
1 1 1 9   23 6  o 70.71008 4.238091  ?              ?        
1 1 1 9   23 7  o 66.75583 4.236019  ?              ?        
1 1 1 9   23 8  o 13.81129 6.226666  ?              ?        
1 1 1 9   23 9  o 13.96473 6.164934  ?              ?        
1 1 1 9   23 10 o 13.44419 6.245680  ?              ?        
1 1 1 9   23 11 o 55.49167 5.661582  ?              ?        
1 1 1 9   23 12 o 20.03004 7.295669  ?              ?        
1 1 1 9   23 13 o 25.05914 7.704362  ?              ?        
1 1 1 9   23 14 o 37.04130 4.000659  ?              ?        
1 1 1 9   23 15 o 21.54738 5.470644  ?              ?        
1 1 1 9   23 16 o 33.59045 4.094677  ?              ?        
1 1 1 9   23 17 f 34.67382 4.029608  ?              ?        
1 1 1 9   23 18 o 10.52573 4.670323  ?              ?        
1 1 1 9   24 0  x ?        ?         ?              ?        
1 1 1 9   24 1  o 108.0159 3.961232  ?              ?        
1 1 1 9   24 2  o 23.08622 7.161118  ?              ?        
1 1 1 9   24 3  o 26.28392 7.375136  ?              ?        
1 1 1 9   24 4  o 14.03357 6.204540  ?              ?        
1 1 1 9   24 5  o 39.59628 5.098401  ?              ?        
1 1 1 9   24 6  o 53.65437 4.050632  ?              ?        
1 1 1 9   24 7  o 30.80410 5.872464  ?              ?        
1 1 1 9   24 8  o 18.51476 6.865321  ?              ?        
1 1 1 9   24 9  o 18.93878 6.708161  ?              ?        
1 1 1 9   24 10 o 15.41658 6.154951  ?              ?        
1 1 1 9   24 11 o 14.03649 5.736267  ?              ?        
1 1 1 9   24 12 o 55.80828 4.778348  ?              ?        
1 1 1 9   24 13 o 47.65764 3.514354  ?              ?        
1 1 1 9   24 14 f 49.43868 3.399530  ?              ?        
1 1 1 9   24 15 o 28.22832 4.545208  ?              ?        
1 1 1 9   24 16 o 39.12530 5.365607  ?              ?        
1 1 1 9   25 0  o 60.30991 6.171721  ?              ?        
1 1 1 9   25 1  o 24.08915 7.347784  ?              ?        
1 1 1 9   25 2  o 42.24159 5.248712  ?              ?        
1 1 1 9   25 3  o 40.34175 4.884365  ?              ?        
1 1 1 9   25 4  o 11.58148 5.402202  ?              ?        
1 1 1 9   25 5  o 29.93138 6.051191  ?              ?        
1 1 1 9   25 6  f 19.07528 6.744512  ?              ?        
1 1 1 9   25 7  o 45.93945 4.559833  ?              ?        
1 1 1 9   25 8  o 11.39035 5.258420  ?              ?        
1 1 1 9   25 9  o 10.05113 4.639035  ?              ?        
1 1 1 9   25 10 o 11.52648 4.970909  ?              ?        
1 1 1 9   25 11 o 25.61941 5.054213  ?              ?        
1 1 1 9   25 12 o 50.04118 3.362794  ?              ?        
1 1 1 9   25 13 o 12.04228 5.107221  ?              ?        
1 1 1 9   25 14 o 24.07129 5.181632  ?              ?        
1 1 1 9   25 15 o 58.21641 3.211013  ?              ?        
1 1 1 9   26 0  o 19.94494 7.462243  ?              ?        
1 1 1 9   26 1  o 25.63762 5.996523  ?              ?        
1 1 1 9   26 2  o 12.97812 5.597634  ?              ?        
1 1 1 9   26 3  o 12.59053 5.576257  ?              ?        
1 1 1 9   26 4  o 27.17967 5.627256  ?              ?        
1 1 1 9   26 5  o 22.27352 5.474115  ?              ?        
1 1 1 9   26 6  o 18.98308 5.530602  ?              ?        
1 1 1 9   26 7  o 12.58115 5.185355  ?              ?        
1 1 1 9   26 8  o 20.41783 5.405998  ?              ?        
1 1 1 9   26 9  o 23.46298 5.053484  ?              ?        
1 1 1 9   26 10 o 9.377433 4.325796  ?              ?        
1 1 1 9   26 11 o 32.06173 4.008100  ?              ?        
1 1 1 9   26 12 o 16.47189 5.424797  ?              ?        
1 1 1 9   27 0  o 38.70591 5.875361  ?              ?        
1 1 1 9   27 1  o 14.22147 5.617013  ?              ?        
1 1 1 9   27 2  o 20.78712 6.071644  ?              ?        
1 1 1 9   27 3  o 11.95233 5.202780  ?              ?        
1 1 1 9   27 4  o 28.21113 4.677420  ?              ?        
1 1 1 9   27 5  o 14.53495 5.325679  ?              ?        
1 1 1 9   27 6  o 10.31457 4.677915  ?              ?        
1 1 1 9   27 7  o 26.75119 6.764254  ?              ?        
1 1 1 9   27 8  o 12.20852 5.457641  ?              ?        
1 1 1 9   27 9  o 9.701528 4.720088  ?              ?        
1 1 1 9   27 10 o 12.00147 5.347128  ?              ?        
1 1 1 9   28 0  x ?        ?         ?              ?        
1 1 1 9   28 1  x ?        ?         ?              ?        
1 1 1 9   28 2  x ?        ?         ?              ?        
1 1 1 9   28 3  o 10.99632 5.124974  ?              ?        
1 1 1 9   28 4  o 21.05604 6.918705  ?              ?        
1 1 1 9   28 5  f 28.16134 6.442986  ?              ?        
1 1 1 9   28 6  o 23.43855 6.774567  ?              ?        
1 1 1 10  0  0  o 253.2377 3.454316  -0.000000      0.000000 
1 1 1 10  0  1  o 126.9559 2.656312  -0.000000      0.000000 
1 1 1 10  0  2  f 119.6850 1.855962  -0.000000      0.000000 
1 1 1 10  0  3  o 10.29647 4.091988  -0.000000      0.000000 
1 1 1 10  0  4  o 151.7883 2.230074  -0.000000      0.000000 
1 1 1 10  0  5  o 475.1200 6.350966  -0.000000      0.000000 
1 1 1 10  0  6  f 239.4167 4.614904  -0.000000      0.000000 
1 1 1 10  0  7  x ?        ?         ?              ?        
1 1 1 10  0  8  x ?        ?         ?              ?        
1 1 1 10  0  9  x ?        ?         ?              ?        
1 1 1 10  0  10 x ?        ?         ?              ?        
1 1 1 10  0  11 x ?        ?         ?              ?        
1 1 1 10  0  12 x ?        ?         ?              ?        
1 1 1 10  0  13 x ?        ?         ?              ?        
1 1 1 10  0  14 x ?        ?         ?              ?        
1 1 1 10  0  15 x ?        ?         ?              ?        
1 1 1 10  0  16 x ?        ?         ?              ?        
1 1 1 10  0  17 o 8.678932 4.709373  -0.000000      0.000000 
1 1 1 10  0  18 o 55.61238 1.877028  -0.000000      0.000000 
1 1 1 10  0  19 o 56.26721 2.035839  -0.000000      0.000000 
1 1 1 10  0  20 o 15.61459 6.028814  -0.000000      0.000000 
1 1 1 10  0  21 o 74.12305 2.222717  -0.000000      0.000000 
1 1 1 10  0  22 o 132.3263 3.568420  -0.000000      0.000000 
1 1 1 10  0  23 o 5.911581 4.280149  -0.000000      0.000000 
1 1 1 10  0  24 o 102.7902 3.601181  -0.000000      0.000000 
1 1 1 10  0  25 o 53.42766 2.999409  -0.000000      0.000000 
1 1 1 10  0  26 o 5.745536 4.141477  -0.000000      0.000000 
1 1 1 10  0  27 o 28.93546 3.657689  -0.000000      0.000000 
1 1 1 10  0  28 o 21.19437 4.304828  -0.000000      0.000000 
1 1 1 10  0  29 f 8.458547 4.941337  -0.000000      0.000000 
1 1 1 10  0  30 x ?        ?         ?              ?        
1 1 1 10  0  31 x ?        ?         ?              ?        
1 1 1 10  1  0  o 109.7596 1.260275  0.9232635      2.520550 
1 1 1 10  1  1  o 173.1159 2.111473  2.258835       4.222946 
1 1 1 10  1  2  o 416.3857 5.016223  28.21198       10.03245 
1 1 1 10  1  3  o 203.2157 2.018490  2.086090       4.036980 
1 1 1 10  1  4  o 214.9643 2.124150  7.261322       4.248301 
1 1 1 10  1  5  o 202.5165 2.457056  2.461121       4.914112 
1 1 1 10  1  6  o 352.9339 4.152203  7.197571       8.304406 
1 1 1 10  1  7  o 421.9456 7.941279  ?              ?        
1 1 1 10  1  8  x ?        ?         ?              ?        
1 1 1 10  1  9  x ?        ?         ?              ?        
1 1 1 10  1  10 x ?        ?         ?              ?        
1 1 1 10  1  11 x ?        ?         ?              ?        
1 1 1 10  1  12 x ?        ?         ?              ?        
1 1 1 10  1  13 x ?        ?         ?              ?        
1 1 1 10  1  14 o 116.7239 2.470971  ?              ?        
1 1 1 10  1  15 f 187.3491 3.709584  ?              ?        
1 1 1 10  1  16 o 82.28425 2.135522  ?              ?        
1 1 1 10  1  17 o 49.36595 1.460852  -2.592445      2.921703 
1 1 1 10  1  18 o 89.59798 1.571649  -3.179916      3.143298 
1 1 1 10  1  19 o 124.4822 1.906560  0.4955902      3.813120 
1 1 1 10  1  20 o 54.07331 1.978486  -3.887993      3.956971 
1 1 1 10  1  21 o 80.12151 2.209358  1.074211       4.418715 
1 1 1 10  1  22 o 54.45882 2.281771  5.754467       4.563543 
1 1 1 10  1  23 f 24.39908 3.800485  0.2091808      7.600971 
1 1 1 10  1  24 o 18.15564 4.647784  0.4968052      9.295568 
1 1 1 10  1  25 o 73.04744 2.110250  3.841087       4.220500 
1 1 1 10  1  26 o 37.05193 2.325125  -6.330425      4.650249 
1 1 1 10  1  27 o 32.36608 2.337812  3.495914       4.675623 
1 1 1 10  1  28 f 32.50580 2.113794  -0.8666611E-01 4.227588 
1 1 1 10  1  29 o 33.44407 1.926209  -1.900940      3.852419 
1 1 1 10  1  30 x ?        ?         ?              ?        
1 1 1 10  1  31 x ?        ?         ?              ?        
1 1 1 10  2  0  o 74.04965 1.390189  3.246971       2.780379 
1 1 1 10  2  1  o 74.58412 1.193341  -9.298645      2.386683 
1 1 1 10  2  2  o 104.4563 1.596558  -1.704353      3.193117 
1 1 1 10  2  3  o 113.3536 1.752567  ?              ?        
1 1 1 10  2  4  o 399.9136 4.673717  1.315674       9.347435 
1 1 1 10  2  5  o 330.3790 3.918720  8.149811       7.837440 
1 1 1 10  2  6  o 255.6400 3.004340  -5.946335      6.008679 
1 1 1 10  2  7  o 124.2897 1.835846  ?              ?        
1 1 1 10  2  8  x ?        ?         ?              ?        
1 1 1 10  2  9  o 140.1017 2.165178  ?              ?        
1 1 1 10  2  10 o 121.2871 1.971043  ?              ?        
1 1 1 10  2  11 o 299.1779 5.745282  ?              ?        
1 1 1 10  2  12 o 186.8207 3.686853  ?              ?        
1 1 1 10  2  13 o 187.4228 3.654526  ?              ?        
1 1 1 10  2  14 o 177.8773 3.461001  ?              ?        
1 1 1 10  2  15 o 144.2178 2.833111  ?              ?        
1 1 1 10  2  16 x ?        ?         ?              ?        
1 1 1 10  2  17 o 54.07027 2.714676  ?              ?        
1 1 1 10  2  18 o 79.24257 1.626375  6.914734       3.252751 
1 1 1 10  2  19 o 56.50592 2.023558  1.942635       4.047117 
1 1 1 10  2  20 o 155.8396 2.598144  4.496460       5.196289 
1 1 1 10  2  21 o 85.79101 1.934768  0.6419067      3.869537 
1 1 1 10  2  22 o 77.09520 1.959500  ?              ?        
1 1 1 10  2  23 o 35.32324 3.197183  6.119751       6.394366 
1 1 1 10  2  24 o 45.67087 2.747916  1.463776       5.495831 
1 1 1 10  2  25 o 38.22038 3.253266  -0.5691566     6.506533 
1 1 1 10  2  26 o 42.71997 2.523808  3.395866       5.047616 
1 1 1 10  2  27 o 44.64082 2.293869  2.020454       4.587738 
1 1 1 10  2  28 o 35.05444 2.544134  -3.951519      5.088268 
1 1 1 10  2  29 o 21.59207 3.252917  -4.000370      6.505833 
1 1 1 10  2  30 x ?        ?         ?              ?        
1 1 1 10  2  31 x ?        ?         ?              ?        
1 1 1 10  3  0  o 268.6868 3.304834  -8.825958      6.609668 
1 1 1 10  3  1  o 242.9175 3.000885  -1.999115      6.001770 
1 1 1 10  3  2  o 382.3693 5.216298  12.94476       10.43260 
1 1 1 10  3  3  o 463.8481 5.387955  -5.927704      10.77591 
1 1 1 10  3  4  o 94.43982 1.589530  -9.852409      3.179061 
1 1 1 10  3  5  o 220.6475 2.724794  0.4499817E-01  5.449588 
1 1 1 10  3  6  o 77.20778 1.470607  2.293259       2.941214 
1 1 1 10  3  7  o 189.9778 2.739743  ?              ?        
1 1 1 10  3  8  o 251.2261 2.870813  ?              ?        
1 1 1 10  3  9  o 62.08397 1.183430  ?              ?        
1 1 1 10  3  10 o 112.8281 2.935872  ?              ?        
1 1 1 10  3  11 o 17.43827 5.853454  ?              ?        
1 1 1 10  3  12 o 59.54636 2.623269  ?              ?        
1 1 1 10  3  13 o 99.30152 2.625622  ?              ?        
1 1 1 10  3  14 o 169.5573 3.537441  ?              ?        
1 1 1 10  3  15 o 75.74980 1.187755  ?              ?        
1 1 1 10  3  16 o 47.58813 1.987227  ?              ?        
1 1 1 10  3  17 o 107.8514 2.547526  ?              ?        
1 1 1 10  3  18 o 66.07751 1.919013  2.032127       3.838026 
1 1 1 10  3  19 o 61.89307 3.265041  ?              ?        
1 1 1 10  3  20 o 77.23936 1.867205  0.4049606      3.734411 
1 1 1 10  3  21 x ?        ?         ?              ?        
1 1 1 10  3  22 f 28.31337 3.711052  -7.968948      7.422104 
1 1 1 10  3  23 o 60.89979 2.441612  -1.474525      4.883223 
1 1 1 10  3  24 o 67.95528 2.441892  1.382263       4.883784 
1 1 1 10  3  25 o 89.65971 3.823399  ?              ?        
1 1 1 10  3  26 o 45.35184 2.620209  -12.09506      5.240417 
1 1 1 10  3  27 o 12.99618 3.702849  3.358551       7.405698 
1 1 1 10  3  28 o 21.45273 3.599502  -7.549826      7.199005 
1 1 1 10  3  29 o 15.81533 3.137206  -8.916387      6.274412 
1 1 1 10  3  30 x ?        ?         ?              ?        
1 1 1 10  3  31 x ?        ?         ?              ?        
1 1 1 10  4  0  o 358.8413 3.522523  -0.6785889     7.045045 
1 1 1 10  4  1  o 249.9459 3.578301  ?              ?        
1 1 1 10  4  2  o 37.73792 2.394931  -9.085388      4.789862 
1 1 1 10  4  3  o 92.87227 1.984760  -0.9698792     3.969521 
1 1 1 10  4  4  o 207.0409 3.119319  2.001923       6.238638 
1 1 1 10  4  5  o 102.1321 1.757563  -2.725113      3.515126 
1 1 1 10  4  6  o 240.4643 2.977725  1.489899       5.955450 
1 1 1 10  4  7  o 403.8773 7.725455  ?              ?        
1 1 1 10  4  8  o 286.7841 5.558928  ?              ?        
1 1 1 10  4  9  o 160.6679 3.369337  ?              ?        
1 1 1 10  4  10 o 243.5715 2.818559  ?              ?        
1 1 1 10  4  11 o 318.4763 4.322680  ?              ?        
1 1 1 10  4  12 o 149.8968 2.189002  ?              ?        
1 1 1 10  4  13 o 164.0672 2.323035  ?              ?        
1 1 1 10  4  14 o 45.75241 1.194435  ?              ?        
1 1 1 10  4  15 o 83.22492 1.309585  ?              ?        
1 1 1 10  4  16 o 123.3853 2.600326  ?              ?        
1 1 1 10  4  17 o 91.42861 1.691229  ?              ?        
1 1 1 10  4  18 o 85.06917 1.727339  ?              ?        
1 1 1 10  4  19 o 26.74315 2.649658  ?              ?        
1 1 1 10  4  20 o 121.5782 2.106042  -0.2331390     4.212084 
1 1 1 10  4  21 o 79.80238 2.090935  1.274971       4.181869 
1 1 1 10  4  22 o 55.42148 2.411944  1.619957       4.823888 
1 1 1 10  4  23 o 57.09442 2.570323  -5.329113      5.140645 
1 1 1 10  4  24 o 47.14428 3.008682  -3.927692      6.017364 
1 1 1 10  4  25 o 73.11757 4.037132  ?              ?        
1 1 1 10  4  26 o 75.76443 3.817572  ?              ?        
1 1 1 10  4  27 o 56.75093 3.977068  ?              ?        
1 1 1 10  4  28 o 33.39927 3.055566  -1.367058      6.111133 
1 1 1 10  4  29 o 12.46755 3.584716  -1.403991      7.169433 
1 1 1 10  4  30 x ?        ?         ?              ?        
1 1 1 10  4  31 x ?        ?         ?              ?        
1 1 1 10  5  0  o 180.0564 2.551063  7.603088       5.102126 
1 1 1 10  5  1  o 65.22054 1.934746  2.318237       3.869491 
1 1 1 10  5  2  o 243.3505 3.583253  ?              ?        
1 1 1 10  5  3  f 136.6990 2.127798  -0.5400543     4.255595 
1 1 1 10  5  4  o 435.1395 5.189570  6.111267       10.37914 
1 1 1 10  5  5  o 368.7086 7.189403  ?              ?        
1 1 1 10  5  6  o 205.1013 4.312470  ?              ?        
1 1 1 10  5  7  o 236.4881 4.811713  ?              ?        
1 1 1 10  5  8  o 74.50909 2.088817  ?              ?        
1 1 1 10  5  9  o 99.15669 2.161515  ?              ?        
1 1 1 10  5  10 o 256.5153 3.681036  ?              ?        
1 1 1 10  5  11 o 107.4169 1.778170  ?              ?        
1 1 1 10  5  12 o 51.42406 1.720595  ?              ?        
1 1 1 10  5  13 o 215.9513 2.564609  ?              ?        
1 1 1 10  5  14 o 199.5976 2.387587  ?              ?        
1 1 1 10  5  15 o 169.0112 2.103689  ?              ?        
1 1 1 10  5  16 o 142.4134 2.829733  ?              ?        
1 1 1 10  5  17 o 136.8414 2.113581  ?              ?        
1 1 1 10  5  18 o 197.9533 2.867994  ?              ?        
1 1 1 10  5  19 o 119.0458 2.150172  0.1802216      4.300344 
1 1 1 10  5  20 o 122.2488 2.229313  3.455261       4.458626 
1 1 1 10  5  21 o 58.08801 2.456922  1.408119       4.913845 
1 1 1 10  5  22 o 23.20774 4.115458  -12.87895      8.230915 
1 1 1 10  5  23 o 128.4929 2.403133  4.873253       4.806267 
1 1 1 10  5  24 o 83.19825 4.250691  ?              ?        
1 1 1 10  5  25 o 56.85000 2.623385  -10.83437      5.246771 
1 1 1 10  5  26 o 19.08718 6.761931  ?              ?        
1 1 1 10  5  27 o 15.55667 4.145605  7.694988       8.291209 
1 1 1 10  5  28 o 14.29081 3.623427  -1.876065      7.246854 
1 1 1 10  5  29 o 53.19599 2.594733  -31.16814      5.189465 
1 1 1 10  5  30 x ?        ?         ?              ?        
1 1 1 10  6  0  f 273.4684 3.442586  -5.306641      6.885173 
1 1 1 10  6  1  o 290.5793 3.631032  -2.445435      7.262065 
1 1 1 10  6  2  f 140.8256 2.269250  8.720978       4.538501 
1 1 1 10  6  3  o 329.3270 4.629456  2.818604       9.258911 
1 1 1 10  6  4  o 394.1124 7.660601  ?              ?        
1 1 1 10  6  5  o 77.44882 3.033395  ?              ?        
1 1 1 10  6  6  o 168.5375 2.716774  0.9482574      5.433547 
1 1 1 10  6  7  o 199.3571 4.294520  ?              ?        
1 1 1 10  6  8  o 162.5365 2.748363  ?              ?        
1 1 1 10  6  9  o 147.8492 3.838385  ?              ?        
1 1 1 10  6  10 o 170.3894 4.114260  ?              ?        
1 1 1 10  6  11 o 89.66297 3.488130  ?              ?        
1 1 1 10  6  12 x ?        ?         ?              ?        
1 1 1 10  6  13 o 187.7224 2.942252  ?              ?        
1 1 1 10  6  14 o 191.4444 2.977701  ?              ?        
1 1 1 10  6  15 o 118.1609 3.460004  ?              ?        
1 1 1 10  6  16 o 93.36607 2.319497  ?              ?        
1 1 1 10  6  17 o 191.4590 2.844344  ?              ?        
1 1 1 10  6  18 o 78.80820 1.675417  ?              ?        
1 1 1 10  6  19 o 162.5431 2.516692  ?              ?        
1 1 1 10  6  20 f 75.64641 2.669265  0.3047714      5.338530 
1 1 1 10  6  21 o 25.08158 4.153298  -6.704992      8.306597 
1 1 1 10  6  22 o 22.78479 4.286642  -5.788158      8.573283 
1 1 1 10  6  23 o 25.00801 4.365874  -4.940508      8.731748 
1 1 1 10  6  24 o 26.60979 4.126411  -13.02093      8.252822 
1 1 1 10  6  25 o 44.84124 3.216864  -4.821358      6.433728 
1 1 1 10  6  26 o 39.33580 2.936701  -3.577827      5.873402 
1 1 1 10  6  27 o 35.54960 4.816259  ?              ?        
1 1 1 10  6  28 o 15.09077 5.028080  ?              ?        
1 1 1 10  6  29 o 34.52512 3.594763  -30.19859      7.189525 
1 1 1 10  6  30 x ?        ?         ?              ?        
1 1 1 10  7  0  o 157.3046 2.476232  0.6143188E-01  4.952464 
1 1 1 10  7  1  o 122.4380 2.220110  -5.193047      4.440221 
1 1 1 10  7  2  o 174.9516 2.934068  2.283386       5.868137 
1 1 1 10  7  3  o 353.0516 4.959161  3.111603       9.918322 
1 1 1 10  7  4  o 203.1315 3.186600  1.843323       6.373200 
1 1 1 10  7  5  o 48.47277 2.659984  -1.911400      5.319969 
1 1 1 10  7  6  o 128.3831 3.502153  ?              ?        
1 1 1 10  7  7  o 134.2854 3.587096  ?              ?        
1 1 1 10  7  8  o 87.52355 2.426301  ?              ?        
1 1 1 10  7  9  o 72.70053 2.513502  ?              ?        
1 1 1 10  7  10 o 119.8173 2.517079  ?              ?        
1 1 1 10  7  11 o 92.22019 2.397665  ?              ?        
1 1 1 10  7  12 o 112.8839 2.442966  ?              ?        
1 1 1 10  7  13 o 61.62948 2.047805  ?              ?        
1 1 1 10  7  14 o 58.96408 2.592152  ?              ?        
1 1 1 10  7  15 o 48.12609 4.207087  ?              ?        
1 1 1 10  7  16 o 189.9680 4.320558  ?              ?        
1 1 1 10  7  17 o 96.63629 3.638194  ?              ?        
1 1 1 10  7  18 o 52.35550 2.023616  ?              ?        
1 1 1 10  7  19 o 35.14812 2.253180  ?              ?        
1 1 1 10  7  20 o 39.36851 3.090905  -0.3203964E-01 6.181811 
1 1 1 10  7  21 o 42.33030 3.239733  1.503738       6.479466 
1 1 1 10  7  22 o 39.02210 3.301923  16.27163       6.603846 
1 1 1 10  7  23 o 77.74522 2.585108  -3.610817      5.170215 
1 1 1 10  7  24 o 82.64406 2.475998  -1.552094      4.951995 
1 1 1 10  7  25 o 131.0019 2.439212  -19.60123      4.878424 
1 1 1 10  7  26 o 49.08317 2.282202  ?              ?        
1 1 1 10  7  27 o 31.73625 3.642682  -22.11104      7.285364 
1 1 1 10  7  28 o 16.90409 6.004291  ?              ?        
1 1 1 10  7  29 o 33.48064 3.756956  -31.16918      7.513913 
1 1 1 10  7  30 x ?        ?         ?              ?        
1 1 1 10  8  0  o 160.4731 2.589922  2.145401       5.179843 
1 1 1 10  8  1  o 232.4874 3.608442  -7.205017      7.216884 
1 1 1 10  8  2  o 52.49603 3.005743  10.87603       6.011486 
1 1 1 10  8  3  o 140.0486 2.711974  9.286484       5.423947 
1 1 1 10  8  4  o 282.7650 4.141355  6.412567       8.282709 
1 1 1 10  8  5  o 199.4957 3.206008  -2.807495      6.412017 
1 1 1 10  8  6  o 108.9305 3.573474  ?              ?        
1 1 1 10  8  7  o 150.8632 2.830235  ?              ?        
1 1 1 10  8  8  o 247.2921 3.749870  ?              ?        
1 1 1 10  8  9  o 143.7061 2.749509  ?              ?        
1 1 1 10  8  10 o 181.7491 3.086625  ?              ?        
1 1 1 10  8  11 o 66.98275 2.670784  ?              ?        
1 1 1 10  8  12 o 35.19587 3.489955  ?              ?        
1 1 1 10  8  13 o 136.0997 2.687904  ?              ?        
1 1 1 10  8  14 o 207.0105 2.736340  ?              ?        
1 1 1 10  8  15 o 114.9888 2.095178  ?              ?        
1 1 1 10  8  16 o 122.1360 2.467883  ?              ?        
1 1 1 10  8  17 o 53.33789 2.631181  ?              ?        
1 1 1 10  8  18 o 99.56551 2.928442  ?              ?        
1 1 1 10  8  19 o 87.22429 2.657504  ?              ?        
1 1 1 10  8  20 o 88.44370 2.156221  ?              ?        
1 1 1 10  8  21 o 70.34973 2.641888  -6.210213      5.283775 
1 1 1 10  8  22 o 55.51936 2.832145  -2.885506      5.664290 
1 1 1 10  8  23 o 26.64305 3.219797  ?              ?        
1 1 1 10  8  24 o 99.53394 2.111463  ?              ?        
1 1 1 10  8  25 o 44.48161 3.349149  -11.89396      6.698299 
1 1 1 10  8  26 o 59.79478 2.537622  -2.884541      5.075243 
1 1 1 10  8  27 o 28.76185 3.523848  -24.22027      7.047696 
1 1 1 10  8  28 o 50.99684 2.489782  -23.42607      4.979565 
1 1 1 10  8  29 o 34.40526 3.846602  -25.51569      7.693205 
1 1 1 10  8  30 x ?        ?         ?              ?        
1 1 1 10  9  0  o 144.8558 4.152004  ?              ?        
1 1 1 10  9  1  o 82.56688 2.762750  -1.204613      5.525499 
1 1 1 10  9  2  o 161.2470 3.000957  0.6817932      6.001915 
1 1 1 10  9  3  o 233.3781 3.662885  2.841492       7.325771 
1 1 1 10  9  4  o 276.9753 4.126357  0.6643677E-01  8.252714 
1 1 1 10  9  5  o 98.67189 2.676635  -3.298515      5.353271 
1 1 1 10  9  6  o 117.2283 3.807366  ?              ?        
1 1 1 10  9  7  o 108.8668 3.751361  ?              ?        
1 1 1 10  9  8  f 119.1334 3.729699  ?              ?        
1 1 1 10  9  9  o 48.81915 3.253726  ?              ?        
1 1 1 10  9  10 o 172.7668 4.253186  ?              ?        
1 1 1 10  9  11 o 146.6141 3.940183  ?              ?        
1 1 1 10  9  12 o 88.10698 3.487710  ?              ?        
1 1 1 10  9  13 o 153.9352 3.947273  ?              ?        
1 1 1 10  9  14 o 92.90248 2.685510  ?              ?        
1 1 1 10  9  15 o 117.4770 2.228115  ?              ?        
1 1 1 10  9  16 o 106.6055 2.584230  ?              ?        
1 1 1 10  9  17 o 96.44981 2.177066  ?              ?        
1 1 1 10  9  18 o 58.46732 2.873151  ?              ?        
1 1 1 10  9  19 o 78.08283 2.578640  ?              ?        
1 1 1 10  9  20 o 113.6263 2.548379  ?              ?        
1 1 1 10  9  21 o 21.84508 4.660404  ?              ?        
1 1 1 10  9  22 o 22.76024 4.346277  ?              ?        
1 1 1 10  9  23 o 46.47825 3.322420  -1.634708      6.644840 
1 1 1 10  9  24 o 18.29036 4.355425  -0.3193913     8.710851 
1 1 1 10  9  25 o 84.54607 5.016114  ?              ?        
1 1 1 10  9  26 o 57.56676 4.774688  ?              ?        
1 1 1 10  9  27 o 30.33394 3.693361  -11.89021      7.386722 
1 1 1 10  9  28 o 25.58097 6.508520  ?              ?        
1 1 1 10  9  29 o 17.59469 4.619698  1.749222       9.239395 
1 1 1 10  10 0  o 209.8929 3.553751  8.740143       7.107502 
1 1 1 10  10 1  o 40.21725 4.555928  13.49103       9.111856 
1 1 1 10  10 2  o 251.2620 3.935140  0.7990875      7.870281 
1 1 1 10  10 3  o 43.86493 5.702718  ?              ?        
1 1 1 10  10 4  o 116.1670 3.918580  ?              ?        
1 1 1 10  10 5  o 111.8279 3.943957  ?              ?        
1 1 1 10  10 6  o 115.9315 3.914840  ?              ?        
1 1 1 10  10 7  o 118.7451 2.820682  ?              ?        
1 1 1 10  10 8  f 45.80589 3.495670  ?              ?        
1 1 1 10  10 9  o 52.60722 3.257338  ?              ?        
1 1 1 10  10 10 o 52.47992 3.126356  ?              ?        
1 1 1 10  10 11 o 218.9853 3.603126  ?              ?        
1 1 1 10  10 12 o 45.23018 3.281530  ?              ?        
1 1 1 10  10 13 o 189.8494 3.329903  ?              ?        
1 1 1 10  10 14 f 97.65511 2.759671  ?              ?        
1 1 1 10  10 15 o 50.06872 2.761308  ?              ?        
1 1 1 10  10 16 o 172.3329 3.156831  ?              ?        
1 1 1 10  10 17 o 109.3725 2.345876  ?              ?        
1 1 1 10  10 18 o 49.01548 3.568402  ?              ?        
1 1 1 10  10 19 o 30.18746 4.929458  ?              ?        
1 1 1 10  10 20 o 48.39231 3.434001  ?              ?        
1 1 1 10  10 21 o 88.99722 2.606805  ?              ?        
1 1 1 10  10 22 o 71.99146 2.543713  ?              ?        
1 1 1 10  10 23 o 95.49694 2.373053  ?              ?        
1 1 1 10  10 24 o 120.1117 2.754755  -3.810181      5.509511 
1 1 1 10  10 25 o 67.18895 5.493364  ?              ?        
1 1 1 10  10 26 o 49.75751 3.703745  -7.656963      7.407489 
1 1 1 10  10 27 o 40.65394 3.819744  -3.505047      7.639487 
1 1 1 10  10 28 o 13.13156 5.857519  ?              ?        
1 1 1 10  10 29 o 16.35944 6.457263  ?              ?        
1 1 1 10  11 0  o 168.4651 3.256835  -5.992020      6.513669 
1 1 1 10  11 1  o 313.2675 4.683094  5.096985       9.366188 
1 1 1 10  11 2  o 144.2532 4.393840  ?              ?        
1 1 1 10  11 3  o 197.8817 4.874058  ?              ?        
1 1 1 10  11 4  o 119.1431 2.910948  -4.962212      5.821896 
1 1 1 10  11 5  o 158.4913 4.361785  ?              ?        
1 1 1 10  11 6  o 82.15070 4.051313  ?              ?        
1 1 1 10  11 7  o 106.3120 2.848267  ?              ?        
1 1 1 10  11 8  o 102.7143 4.150632  ?              ?        
1 1 1 10  11 9  o 126.2211 4.249797  ?              ?        
1 1 1 10  11 10 o 67.78820 4.394082  ?              ?        
1 1 1 10  11 11 o 67.21263 4.491572  ?              ?        
1 1 1 10  11 12 o 74.84591 4.419823  ?              ?        
1 1 1 10  11 13 o 53.28085 5.295347  ?              ?        
1 1 1 10  11 14 o 107.5774 4.332961  ?              ?        
1 1 1 10  11 15 o 41.45638 6.328472  ?              ?        
1 1 1 10  11 16 o 27.20270 8.292684  ?              ?        
1 1 1 10  11 17 o 24.28276 6.805285  ?              ?        
1 1 1 10  11 18 o 216.3811 3.056482  ?              ?        
1 1 1 10  11 19 o 50.60805 3.806547  ?              ?        
1 1 1 10  11 20 o 73.08691 3.173104  ?              ?        
1 1 1 10  11 21 o 61.00037 3.076473  ?              ?        
1 1 1 10  11 22 o 19.55984 7.851528  ?              ?        
1 1 1 10  11 23 o 85.10318 4.391582  ?              ?        
1 1 1 10  11 24 o 14.63929 5.280128  ?              ?        
1 1 1 10  11 25 o 51.46254 3.492436  -2.693604      6.984872 
1 1 1 10  11 26 o 30.96985 4.369987  -18.48434      8.739974 
1 1 1 10  11 27 o 17.76373 4.607998  -9.837336      9.215996 
1 1 1 10  11 28 o 23.21406 4.454924  -1.902967      8.909847 
1 1 1 10  12 0  o 89.91241 3.186371  11.15926       6.372741 
1 1 1 10  12 1  o 131.6213 3.141283  1.211197       6.282566 
1 1 1 10  12 2  o 80.11340 3.191671  -5.575867      6.383342 
1 1 1 10  12 3  o 195.1089 3.477518  2.350266       6.955035 
1 1 1 10  12 4  o 37.31459 6.775455  ?              ?        
1 1 1 10  12 5  o 74.21460 4.286181  ?              ?        
1 1 1 10  12 6  o 178.6889 4.689452  ?              ?        
1 1 1 10  12 7  o 151.5318 3.119639  ?              ?        
1 1 1 10  12 8  o 179.4960 3.345852  ?              ?        
1 1 1 10  12 9  o 170.2850 3.262767  ?              ?        
1 1 1 10  12 10 o 87.21222 2.891249  ?              ?        
1 1 1 10  12 11 o 68.29949 3.049215  ?              ?        
1 1 1 10  12 12 o 118.3168 3.024075  ?              ?        
1 1 1 10  12 13 o 93.81641 3.028075  ?              ?        
1 1 1 10  12 14 o 109.5721 4.672322  ?              ?        
1 1 1 10  12 15 o 80.46228 3.142187  ?              ?        
1 1 1 10  12 16 o 51.23227 4.905600  ?              ?        
1 1 1 10  12 17 o 65.03456 3.524907  ?              ?        
1 1 1 10  12 18 o 77.02534 3.381249  ?              ?        
1 1 1 10  12 19 o 68.56182 3.571920  ?              ?        
1 1 1 10  12 20 o 76.07397 3.312341  ?              ?        
1 1 1 10  12 21 o 24.82093 5.894041  ?              ?        
1 1 1 10  12 22 o 57.56884 3.072603  ?              ?        
1 1 1 10  12 23 o 61.09189 3.614054  ?              ?        
1 1 1 10  12 24 o 55.61189 2.854595  ?              ?        
1 1 1 10  12 25 x ?        ?         ?              ?        
1 1 1 10  12 26 x ?        ?         ?              ?        
1 1 1 10  12 27 o 25.08306 4.495935  ?              ?        
1 1 1 10  12 28 o 34.26740 3.556365  8.160976       7.112731 
1 1 1 10  13 0  o 41.49234 4.470613  0.6264420      8.941227 
1 1 1 10  13 1  o 116.8292 3.100733  6.152466       6.201465 
1 1 1 10  13 2  o 135.0263 3.118176  4.631104       6.236351 
1 1 1 10  13 3  o 68.84533 3.221036  -5.124680      6.442073 
1 1 1 10  13 4  o 138.3177 4.459219  ?              ?        
1 1 1 10  13 5  o 31.19998 7.406014  ?              ?        
1 1 1 10  13 6  o 87.95939 3.019076  ?              ?        
1 1 1 10  13 7  o 26.43530 5.577928  ?              ?        
1 1 1 10  13 8  o 129.9774 3.066583  ?              ?        
1 1 1 10  13 9  o 81.49371 3.011453  ?              ?        
1 1 1 10  13 10 o 74.54169 3.130383  ?              ?        
1 1 1 10  13 11 o 81.50804 3.122604  ?              ?        
1 1 1 10  13 12 o 28.85157 5.494911  ?              ?        
1 1 1 10  13 13 o 77.96559 3.256961  ?              ?        
1 1 1 10  13 14 o 140.7929 3.296043  ?              ?        
1 1 1 10  13 15 o 108.3608 3.226351  ?              ?        
1 1 1 10  13 16 f 91.86844 4.375955  ?              ?        
1 1 1 10  13 17 o 44.89126 3.836177  ?              ?        
1 1 1 10  13 18 o 47.33892 4.219305  ?              ?        
1 1 1 10  13 19 o 54.02777 3.930643  ?              ?        
1 1 1 10  13 20 o 52.02142 4.229811  ?              ?        
1 1 1 10  13 21 o 40.40393 4.298184  ?              ?        
1 1 1 10  13 22 o 79.72623 3.008415  ?              ?        
1 1 1 10  13 23 o 17.83833 5.957663  ?              ?        
1 1 1 10  13 24 o 12.92515 5.340490  ?              ?        
1 1 1 10  13 25 x ?        ?         ?              ?        
1 1 1 10  13 26 x ?        ?         ?              ?        
1 1 1 10  13 27 o 22.21212 4.987504  ?              ?        
1 1 1 10  14 0  o 78.05546 3.457996  -14.61081      6.915993 
1 1 1 10  14 1  o 153.3742 3.300488  0.4765320E-01  6.600976 
1 1 1 10  14 2  o 62.71140 3.455046  0.3935890      6.910092 
1 1 1 10  14 3  o 130.2547 4.475163  ?              ?        
1 1 1 10  14 4  o 84.37179 4.439216  ?              ?        
1 1 1 10  14 5  o 147.8013 4.566622  ?              ?        
1 1 1 10  14 6  o 72.44550 4.445034  ?              ?        
1 1 1 10  14 7  o 147.5222 4.481097  ?              ?        
1 1 1 10  14 8  o 79.25498 4.384762  ?              ?        
1 1 1 10  14 9  o 61.06531 4.828056  ?              ?        
1 1 1 10  14 10 o 76.46078 4.549529  ?              ?        
1 1 1 10  14 11 o 179.4915 4.963362  ?              ?        
1 1 1 10  14 12 o 101.2096 4.407531  ?              ?        
1 1 1 10  14 13 o 19.22655 7.671287  ?              ?        
1 1 1 10  14 14 o 229.2478 5.648202  ?              ?        
1 1 1 10  14 15 o 85.32468 3.566148  ?              ?        
1 1 1 10  14 16 o 81.25002 4.668861  ?              ?        
1 1 1 10  14 17 o 76.70767 3.712271  ?              ?        
1 1 1 10  14 18 o 58.80972 3.475110  ?              ?        
1 1 1 10  14 19 o 28.77719 5.359391  ?              ?        
1 1 1 10  14 20 o 48.32351 3.315125  ?              ?        
1 1 1 10  14 21 o 53.91264 3.688477  ?              ?        
1 1 1 10  14 22 o 58.57247 3.459697  ?              ?        
1 1 1 10  14 23 o 42.09800 3.643920  ?              ?        
1 1 1 10  14 24 o 31.93523 4.119963  ?              ?        
1 1 1 10  14 25 x ?        ?         ?              ?        
1 1 1 10  14 26 o 36.23805 3.607918  ?              ?        
1 1 1 10  14 27 o 10.25568 4.630536  ?              ?        
1 1 1 10  15 0  o 66.42801 3.506870  -13.85189      7.013741 
1 1 1 10  15 1  o 105.2980 3.283181  2.065109       6.566361 
1 1 1 10  15 2  o 177.1188 4.983099  ?              ?        
1 1 1 10  15 3  x ?        ?         ?              ?        
1 1 1 10  15 4  o 96.82293 4.540643  ?              ?        
1 1 1 10  15 5  o 153.8691 4.768940  ?              ?        
1 1 1 10  15 6  o 82.73055 3.167598  ?              ?        
1 1 1 10  15 7  o 64.37637 3.478020  ?              ?        
1 1 1 10  15 8  o 17.05373 6.411044  ?              ?        
1 1 1 10  15 9  o 68.67555 3.510247  ?              ?        
1 1 1 10  15 10 o 111.5131 3.332953  ?              ?        
1 1 1 10  15 11 o 55.54140 4.009096  ?              ?        
1 1 1 10  15 12 o 133.5607 3.440027  ?              ?        
1 1 1 10  15 13 o 63.90941 3.975650  ?              ?        
1 1 1 10  15 14 o 135.6892 3.524503  ?              ?        
1 1 1 10  15 15 o 129.6396 3.545598  ?              ?        
1 1 1 10  15 16 f 52.08474 4.610816  ?              ?        
1 1 1 10  15 17 o 74.13425 3.846423  ?              ?        
1 1 1 10  15 18 o 29.26193 5.533362  ?              ?        
1 1 1 10  15 19 o 38.24147 3.962827  ?              ?        
1 1 1 10  15 20 o 54.35082 3.162213  ?              ?        
1 1 1 10  15 21 o 47.75288 3.172387  ?              ?        
1 1 1 10  15 22 o 31.65009 4.510132  ?              ?        
1 1 1 10  15 23 o 22.94253 5.644759  ?              ?        
1 1 1 10  15 24 o 16.85177 5.676956  ?              ?        
1 1 1 10  15 25 o 28.07532 4.158875  ?              ?        
1 1 1 10  15 26 o 17.55741 5.464974  ?              ?        
1 1 1 10  16 0  o 39.40402 4.940281  -5.282578      9.880562 
1 1 1 10  16 1  o 76.67948 4.840666  ?              ?        
1 1 1 10  16 2  o 120.6548 4.672082  ?              ?        
1 1 1 10  16 3  o 52.86395 5.639206  ?              ?        
1 1 1 10  16 4  o 115.9295 4.779809  ?              ?        
1 1 1 10  16 5  o 71.41740 3.578736  ?              ?        
1 1 1 10  16 6  o 63.08402 3.740306  ?              ?        
1 1 1 10  16 7  o 38.05181 4.799311  ?              ?        
1 1 1 10  16 8  o 44.06179 4.465689  ?              ?        
1 1 1 10  16 9  o 68.14722 5.414513  ?              ?        
1 1 1 10  16 10 o 83.02355 5.323314  ?              ?        
1 1 1 10  16 11 o 57.36924 6.375639  ?              ?        
1 1 1 10  16 12 o 50.71502 6.438349  ?              ?        
1 1 1 10  16 13 o 149.2195 5.244981  ?              ?        
1 1 1 10  16 14 o 45.99417 8.243577  ?              ?        
1 1 1 10  16 15 o 77.77734 6.170136  ?              ?        
1 1 1 10  16 16 o 92.62403 5.546963  ?              ?        
1 1 1 10  16 17 o 47.04224 4.763466  ?              ?        
1 1 1 10  16 18 o 55.17713 4.092906  ?              ?        
1 1 1 10  16 19 o 35.14494 4.292510  ?              ?        
1 1 1 10  16 20 o 52.16191 3.173978  ?              ?        
1 1 1 10  16 21 o 16.71156 5.452305  ?              ?        
1 1 1 10  16 22 o 47.07591 2.939139  ?              ?        
1 1 1 10  16 23 o 27.95995 6.485073  ?              ?        
1 1 1 10  16 24 o 10.82604 5.071867  ?              ?        
1 1 1 10  16 25 o 15.00984 5.466761  ?              ?        
1 1 1 10  17 0  o 93.47820 3.432895  -7.946655      6.865790 
1 1 1 10  17 1  o 144.7935 3.568543  -0.7473755E-01 7.137086 
1 1 1 10  17 2  o 14.91747 6.661507  ?              ?        
1 1 1 10  17 3  o 32.98412 7.878105  ?              ?        
1 1 1 10  17 4  o 146.6317 5.040454  ?              ?        
1 1 1 10  17 5  o 80.31532 3.548015  ?              ?        
1 1 1 10  17 6  o 80.42611 3.575510  ?              ?        
1 1 1 10  17 7  o 24.40894 7.079536  ?              ?        
1 1 1 10  17 8  o 134.2090 3.571374  ?              ?        
1 1 1 10  17 9  o 106.1418 3.594802  ?              ?        
1 1 1 10  17 10 o 85.99896 3.795882  ?              ?        
1 1 1 10  17 11 o 18.73809 7.312779  ?              ?        
1 1 1 10  17 12 o 76.46117 4.040643  ?              ?        
1 1 1 10  17 13 o 151.8244 3.804018  ?              ?        
1 1 1 10  17 14 o 60.60968 4.589083  ?              ?        
1 1 1 10  17 15 o 24.94710 7.563596  ?              ?        
1 1 1 10  17 16 o 57.51641 4.506965  ?              ?        
1 1 1 10  17 17 o 56.86031 4.331755  ?              ?        
1 1 1 10  17 18 o 20.34553 7.021263  ?              ?        
1 1 1 10  17 19 o 52.26316 3.241283  ?              ?        
1 1 1 10  17 20 o 19.52415 5.382448  ?              ?        
1 1 1 10  17 21 o 21.96926 4.784227  ?              ?        
1 1 1 10  17 22 o 21.64215 5.691141  ?              ?        
1 1 1 10  17 23 o 34.57576 3.267882  ?              ?        
1 1 1 10  17 24 o 11.00896 4.466203  ?              ?        
1 1 1 10  18 0  o 140.9877 3.545565  0.6378479      7.091130 
1 1 1 10  18 1  o 122.3527 4.990466  ?              ?        
1 1 1 10  18 2  o 86.71446 5.141447  ?              ?        
1 1 1 10  18 3  o 32.17589 8.141371  ?              ?        
1 1 1 10  18 4  o 57.43042 5.747082  ?              ?        
1 1 1 10  18 5  o 107.2087 3.539635  ?              ?        
1 1 1 10  18 6  o 95.80672 3.634408  ?              ?        
1 1 1 10  18 7  o 37.13330 5.613016  ?              ?        
1 1 1 10  18 8  o 23.44290 7.429657  ?              ?        
1 1 1 10  18 9  o 76.55289 3.996422  ?              ?        
1 1 1 10  18 10 o 38.81438 5.924375  ?              ?        
1 1 1 10  18 11 o 19.10088 7.393380  ?              ?        
1 1 1 10  18 12 o 86.75854 3.949334  ?              ?        
1 1 1 10  18 13 o 63.06805 4.660079  ?              ?        
1 1 1 10  18 14 o 41.50498 5.508404  ?              ?        
1 1 1 10  18 15 o 69.60551 4.091967  ?              ?        
1 1 1 10  18 16 o 53.12006 5.940940  ?              ?        
1 1 1 10  18 17 o 35.63893 7.037179  ?              ?        
1 1 1 10  18 18 o 51.33724 5.781425  ?              ?        
1 1 1 10  18 19 o 12.16733 5.285462  ?              ?        
1 1 1 10  18 20 o 26.22498 4.049965  ?              ?        
1 1 1 10  18 21 o 13.38097 5.210262  ?              ?        
1 1 1 10  18 22 o 23.03855 4.378474  ?              ?        
1 1 1 10  18 23 o 19.45475 4.672395  ?              ?        
1 1 1 10  19 0  o 104.7153 5.191872  ?              ?        
1 1 1 10  19 1  o 57.53039 6.508127  ?              ?        
1 1 1 10  19 2  f 52.96916 6.344001  ?              ?        
1 1 1 10  19 3  o 30.70431 9.133114  ?              ?        
1 1 1 10  19 4  o 55.60416 6.314495  ?              ?        
1 1 1 10  19 5  o 105.1535 5.176178  ?              ?        
1 1 1 10  19 6  o 33.76973 9.009252  ?              ?        
1 1 1 10  19 7  o 75.69108 5.632574  ?              ?        
1 1 1 10  19 8  o 58.96795 6.578080  ?              ?        
1 1 1 10  19 9  o 50.74739 6.670333  ?              ?        
1 1 1 10  19 10 o 43.61471 5.875471  ?              ?        
1 1 1 10  19 11 o 59.58093 4.801088  ?              ?        
1 1 1 10  19 12 o 43.06250 5.703722  ?              ?        
1 1 1 10  19 13 o 23.49397 7.679832  ?              ?        
1 1 1 10  19 14 o 13.67317 6.108959  ?              ?        
1 1 1 10  19 15 o 51.33201 4.495641  ?              ?        
1 1 1 10  19 16 o 14.27214 6.169404  ?              ?        
1 1 1 10  19 17 o 65.58925 3.597766  ?              ?        
1 1 1 10  19 18 o 21.60950 5.822765  ?              ?        
1 1 1 10  19 19 o 36.29712 3.821817  ?              ?        
1 1 1 10  19 20 o 22.71237 4.625075  ?              ?        
1 1 1 10  19 21 o 18.41960 5.011053  ?              ?        
1 1 1 10  19 22 o 30.68196 3.489069  ?              ?        
1 1 1 10  20 0  o 45.21857 8.059409  ?              ?        
1 1 1 10  20 1  o 34.12577 8.849217  ?              ?        
1 1 1 10  20 2  x ?        ?         ?              ?        
1 1 1 10  20 3  x ?        ?         ?              ?        
1 1 1 10  20 4  o 109.5753 5.573505  ?              ?        
1 1 1 10  20 5  o 128.3970 5.456217  ?              ?        
1 1 1 10  20 6  o 130.2346 3.786799  ?              ?        
1 1 1 10  20 7  o 53.66022 5.060535  ?              ?        
1 1 1 10  20 8  o 69.23081 4.307502  ?              ?        
1 1 1 10  20 9  o 19.40363 7.673886  ?              ?        
1 1 1 10  20 10 o 35.83875 6.954555  ?              ?        
1 1 1 10  20 11 o 59.62049 4.668585  ?              ?        
1 1 1 10  20 12 o 45.06487 8.405064  ?              ?        
1 1 1 10  20 13 o 41.57093 5.148404  ?              ?        
1 1 1 10  20 14 o 19.88279 7.062684  ?              ?        
1 1 1 10  20 15 o 13.45051 5.829739  ?              ?        
1 1 1 10  20 16 f 15.89628 6.087989  ?              ?        
1 1 1 10  20 17 o 12.31867 5.321187  ?              ?        
1 1 1 10  20 18 o 12.01264 5.075205  ?              ?        
1 1 1 10  20 19 o 29.83931 6.464284  ?              ?        
1 1 1 10  20 20 o 29.95614 4.634618  ?              ?        
1 1 1 10  20 21 o 12.73019 5.328869  ?              ?        
1 1 1 10  21 0  o 75.64820 6.109627  ?              ?        
1 1 1 10  21 1  o 76.60080 5.805082  ?              ?        
1 1 1 10  21 2  o 14.12477 6.883142  ?              ?        
1 1 1 10  21 3  o 28.45190 7.475481  ?              ?        
1 1 1 10  21 4  o 90.83438 4.075098  ?              ?        
1 1 1 10  21 5  o 71.98033 4.349019  ?              ?        
1 1 1 10  21 6  o 49.76819 5.417421  ?              ?        
1 1 1 10  21 7  o 38.34902 6.221138  ?              ?        
1 1 1 10  21 8  o 99.74560 3.903830  ?              ?        
1 1 1 10  21 9  o 43.14436 5.875405  ?              ?        
1 1 1 10  21 10 f 42.86705 5.430738  ?              ?        
1 1 1 10  21 11 o 48.47060 4.752657  ?              ?        
1 1 1 10  21 12 o 11.45690 5.398877  ?              ?        
1 1 1 10  21 13 o 19.81710 6.591075  ?              ?        
1 1 1 10  21 14 o 81.13537 3.577615  ?              ?        
1 1 1 10  21 15 o 11.67797 5.286765  ?              ?        
1 1 1 10  21 16 o 39.48549 3.862135  ?              ?        
1 1 1 10  21 17 o 23.62370 4.894294  ?              ?        
1 1 1 10  21 18 o 17.62390 5.588195  ?              ?        
1 1 1 10  21 19 f 36.84863 3.610207  ?              ?        
1 1 1 10  21 20 o 12.27413 5.022521  ?              ?        
1 1 1 10  22 0  o 49.59147 7.647523  ?              ?        
1 1 1 10  22 1  o 101.7485 5.686245  ?              ?        
1 1 1 10  22 2  f 21.42913 7.563809  ?              ?        
1 1 1 10  22 3  o 73.01675 4.256239  ?              ?        
1 1 1 10  22 4  o 26.03035 7.591660  ?              ?        
1 1 1 10  22 5  o 40.18866 6.142989  ?              ?        
1 1 1 10  22 6  o 65.39867 4.303668  ?              ?        
1 1 1 10  22 7  o 68.39593 4.198530  ?              ?        
1 1 1 10  22 8  o 44.71621 5.110272  ?              ?        
1 1 1 10  22 9  o 22.67166 7.233862  ?              ?        
1 1 1 10  22 10 o 31.30728 6.219840  ?              ?        
1 1 1 10  22 11 o 33.34057 5.154099  ?              ?        
1 1 1 10  22 12 o 26.59213 6.232678  ?              ?        
1 1 1 10  22 13 o 40.61001 4.454712  ?              ?        
1 1 1 10  22 14 o 32.16608 4.763888  ?              ?        
1 1 1 10  22 15 o 34.94331 5.178409  ?              ?        
1 1 1 10  22 16 o 36.84311 3.956923  ?              ?        
1 1 1 10  22 17 o 11.33657 5.005773  ?              ?        
1 1 1 10  22 18 o 24.88935 6.192227  ?              ?        
1 1 1 10  22 19 o 10.77453 5.026889  ?              ?        
1 1 1 10  23 0  o 42.93977 9.215061  ?              ?        
1 1 1 10  23 1  o 87.45939 5.891331  ?              ?        
1 1 1 10  23 2  o 38.84768 5.968040  ?              ?        
1 1 1 10  23 3  o 68.66178 4.231440  ?              ?        
1 1 1 10  23 4  f 50.58605 4.877243  ?              ?        
1 1 1 10  23 5  f 21.26610 7.398726  ?              ?        
1 1 1 10  23 6  o 14.98559 6.500118  ?              ?        
1 1 1 10  23 7  o 53.34698 4.634372  ?              ?        
1 1 1 10  23 8  o 18.97274 6.995299  ?              ?        
1 1 1 10  23 9  o 29.01274 7.613464  ?              ?        
1 1 1 10  23 10 o 20.19438 7.185989  ?              ?        
1 1 1 10  23 11 x ?        ?         ?              ?        
1 1 1 10  23 12 o 49.33172 5.427256  ?              ?        
1 1 1 10  23 13 o 40.43646 3.721461  ?              ?        
1 1 1 10  23 14 x ?        ?         ?              ?        
1 1 1 10  23 15 o 17.30120 6.310402  ?              ?        
1 1 1 10  23 16 o 54.55456 3.233069  ?              ?        
1 1 1 10  23 17 o 21.42291 5.465065  ?              ?        
1 1 1 10  24 0  x ?        ?         ?              ?        
1 1 1 10  24 1  o 27.35668 8.456625  ?              ?        
1 1 1 10  24 2  o 33.44711 6.500390  ?              ?        
1 1 1 10  24 3  o 42.22455 4.990478  ?              ?        
1 1 1 10  24 4  o 22.88022 7.379068  ?              ?        
1 1 1 10  24 5  o 38.61389 5.110718  ?              ?        
1 1 1 10  24 6  o 33.08533 5.433043  ?              ?        
1 1 1 10  24 7  o 23.17352 6.804910  ?              ?        
1 1 1 10  24 8  o 33.52789 5.566850  ?              ?        
1 1 1 10  24 9  o 51.04871 4.192818  ?              ?        
1 1 1 10  24 10 o 15.47837 6.044762  ?              ?        
1 1 1 10  24 11 f 45.71547 3.449190  ?              ?        
1 1 1 10  24 12 x ?        ?         ?              ?        
1 1 1 10  24 13 o 18.14634 5.540503  ?              ?        
1 1 1 10  24 14 o 10.40111 4.682157  ?              ?        
1 1 1 10  24 15 o 41.97999 3.509655  ?              ?        
1 1 1 10  24 16 o 20.73553 5.405703  ?              ?        
1 1 1 10  25 0  o 32.00611 6.569378  ?              ?        
1 1 1 10  25 1  o 36.91540 5.580466  ?              ?        
1 1 1 10  25 2  o 56.95139 4.240874  ?              ?        
1 1 1 10  25 3  o 19.55133 6.610008  ?              ?        
1 1 1 10  25 4  o 30.33577 5.572820  ?              ?        
1 1 1 10  25 5  o 14.23221 5.960799  ?              ?        
1 1 1 10  25 6  o 50.59841 3.944169  ?              ?        
1 1 1 10  25 7  o 32.09801 4.602148  ?              ?        
1 1 1 10  25 8  f 23.41846 5.332291  ?              ?        
1 1 1 10  25 9  o 30.57003 4.153391  ?              ?        
1 1 1 10  25 10 o 32.72121 3.989938  ?              ?        
1 1 1 10  25 11 o 17.59785 5.683590  ?              ?        
1 1 1 10  25 12 o 10.84007 4.796562  ?              ?        
1 1 1 10  25 13 o 12.23956 5.082771  ?              ?        
1 1 1 10  25 14 o 15.57412 5.510610  ?              ?        
1 1 1 10  26 0  o 21.60427 6.486765  ?              ?        
1 1 1 10  26 1  o 14.30228 5.893825  ?              ?        
1 1 1 10  26 2  o 18.43827 6.122095  ?              ?        
1 1 1 10  26 3  o 23.84972 6.038764  ?              ?        
1 1 1 10  26 4  o 28.81896 4.510778  ?              ?        
1 1 1 10  26 5  o 13.09138 5.311738  ?              ?        
1 1 1 10  26 6  f 16.10801 5.720177  ?              ?        
1 1 1 10  26 7  o 32.58100 4.049492  ?              ?        
1 1 1 10  26 8  o 19.16782 5.499999  ?              ?        
1 1 1 10  26 9  x ?        ?         ?              ?        
1 1 1 10  26 10 o 10.02100 4.847475  ?              ?        
1 1 1 10  26 11 o 10.17513 4.603109  ?              ?        
1 1 1 10  27 0  o 20.15546 7.232023  ?              ?        
1 1 1 10  27 1  o 12.10056 5.484974  ?              ?        
1 1 1 10  27 2  o 19.63680 6.820774  ?              ?        
1 1 1 10  27 3  o 14.38623 5.988051  ?              ?        
1 1 1 10  27 4  o 18.72793 6.737293  ?              ?        
1 1 1 10  27 5  o 14.07370 5.934316  ?              ?        
1 1 1 10  27 6  o 27.75887 6.510937  ?              ?        
1 1 1 10  27 7  o 8.760578 4.342882  ?              ?        
1 1 1 10  27 8  o 24.54882 6.954617  ?              ?        
1 1 1 10  28 0  x ?        ?         ?              ?        
1 1 1 10  28 1  x ?        ?         ?              ?        
1 1 1 10  28 2  x ?        ?         ?              ?        
1 1 1 10  28 3  x ?        ?         ?              ?        
1 1 1 10  28 4  o 14.83180 6.143080  ?              ?        
1 1 1 11  0  0  o 364.8768 6.964293  -0.000000      0.000000 
1 1 1 11  0  1  o 263.1597 3.595928  -0.000000      0.000000 
1 1 1 11  0  2  o 167.0062 3.390582  -0.000000      0.000000 
1 1 1 11  0  3  o 393.4269 5.288780  -0.000000      0.000000 
1 1 1 11  0  4  x ?        ?         ?              ?        
1 1 1 11  0  5  x ?        ?         ?              ?        
1 1 1 11  0  6  o 416.0417 7.877099  -0.000000      0.000000 
1 1 1 11  0  7  o 100.8645 2.283376  -0.000000      0.000000 
1 1 1 11  0  8  x ?        ?         ?              ?        
1 1 1 11  0  9  x ?        ?         ?              ?        
1 1 1 11  0  10 x ?        ?         ?              ?        
1 1 1 11  0  11 x ?        ?         ?              ?        
1 1 1 11  0  12 x ?        ?         ?              ?        
1 1 1 11  0  13 x ?        ?         ?              ?        
1 1 1 11  0  14 x ?        ?         ?              ?        
1 1 1 11  0  15 x ?        ?         ?              ?        
1 1 1 11  0  16 x ?        ?         ?              ?        
1 1 1 11  0  17 x ?        ?         ?              ?        
1 1 1 11  0  18 x ?        ?         ?              ?        
1 1 1 11  0  19 x ?        ?         ?              ?        
1 1 1 11  0  20 o 50.93632 2.566968  -0.000000      0.000000 
1 1 1 11  0  21 o 170.3271 3.689938  -0.000000      0.000000 
1 1 1 11  0  22 o 43.39551 3.535599  -0.000000      0.000000 
1 1 1 11  0  23 o 31.94669 3.914464  -0.000000      0.000000 
1 1 1 11  0  24 o 43.14855 3.970431  -0.000000      0.000000 
1 1 1 11  0  25 o 58.52615 2.448690  -0.000000      0.000000 
1 1 1 11  0  26 o 11.53069 5.875393  -0.000000      0.000000 
1 1 1 11  0  27 o 24.31988 5.889780  -0.000000      0.000000 
1 1 1 11  0  28 o 29.21198 2.964809  -0.000000      0.000000 
1 1 1 11  0  29 x ?        ?         ?              ?        
1 1 1 11  0  30 x ?        ?         ?              ?        
1 1 1 11  1  0  o 178.7078 2.590130  0.6757202      5.180259 
1 1 1 11  1  1  o 102.4521 1.231321  1.476936       2.462642 
1 1 1 11  1  2  o 196.2603 2.463384  -14.73280      4.926768 
1 1 1 11  1  3  o 363.8871 4.956855  ?              ?        
1 1 1 11  1  4  x ?        ?         ?              ?        
1 1 1 11  1  5  o 329.0195 6.320246  ?              ?        
1 1 1 11  1  6  o 204.9393 4.079075  ?              ?        
1 1 1 11  1  7  o 89.92087 1.454040  6.711067       2.908081 
1 1 1 11  1  8  o 36.24463 1.311711  ?              ?        
1 1 1 11  1  9  x ?        ?         ?              ?        
1 1 1 11  1  10 x ?        ?         ?              ?        
1 1 1 11  1  11 x ?        ?         ?              ?        
1 1 1 11  1  12 x ?        ?         ?              ?        
1 1 1 11  1  13 x ?        ?         ?              ?        
1 1 1 11  1  14 x ?        ?         ?              ?        
1 1 1 11  1  15 x ?        ?         ?              ?        
1 1 1 11  1  16 x ?        ?         ?              ?        
1 1 1 11  1  17 x ?        ?         ?              ?        
1 1 1 11  1  18 o 155.1979 3.290862  ?              ?        
1 1 1 11  1  19 o 93.67824 2.540639  ?              ?        
1 1 1 11  1  20 o 145.3875 2.002115  -5.883820      4.004231 
1 1 1 11  1  21 f 71.41331 1.733200  0.7077179      3.466399 
1 1 1 11  1  22 o 71.56564 1.878964  -5.442825      3.757928 
1 1 1 11  1  23 f 52.14164 2.519495  2.006336       5.038989 
1 1 1 11  1  24 o 37.58237 2.766969  0.4441757      5.533938 
1 1 1 11  1  25 o 29.96381 3.029633  1.375549       6.059267 
1 1 1 11  1  26 o 50.67194 2.332763  ?              ?        
1 1 1 11  1  27 o 27.76173 3.051727  -7.649559      6.103455 
1 1 1 11  1  28 o 32.75924 2.608454  -3.962658      5.216908 
1 1 1 11  1  29 x ?        ?         ?              ?        
1 1 1 11  1  30 x ?        ?         ?              ?        
1 1 1 11  2  0  o 302.2059 3.587559  -9.466187      7.175118 
1 1 1 11  2  1  o 32.60637 1.631258  2.226603       3.262516 
1 1 1 11  2  2  o 502.5775 4.768626  -17.23730      9.537252 
1 1 1 11  2  3  o 582.6403 6.841525  13.32471       13.68305 
1 1 1 11  2  4  o 133.7128 1.771309  -13.00279      3.542619 
1 1 1 11  2  5  f 189.0760 2.297276  -10.53493      4.594553 
1 1 1 11  2  6  o 222.6232 2.639962  -9.021362      5.279923 
1 1 1 11  2  7  o 177.9887 2.162895  -3.963409      4.325790 
1 1 1 11  2  8  x ?        ?         ?              ?        
1 1 1 11  2  9  o 89.11164 1.663689  ?              ?        
1 1 1 11  2  10 o 101.7305 1.729591  ?              ?        
1 1 1 11  2  11 o 73.43855 1.493291  ?              ?        
1 1 1 11  2  12 o 175.2379 2.474094  ?              ?        
1 1 1 11  2  13 o 115.1749 1.752163  ?              ?        
1 1 1 11  2  14 o 60.79381 1.446068  ?              ?        
1 1 1 11  2  15 o 77.69434 1.708384  ?              ?        
1 1 1 11  2  16 o 154.2963 3.041093  ?              ?        
1 1 1 11  2  17 o 73.64091 1.871980  ?              ?        
1 1 1 11  2  18 o 70.95908 1.932310  ?              ?        
1 1 1 11  2  19 o 58.34508 2.061276  ?              ?        
1 1 1 11  2  20 o 72.15392 1.618404  ?              ?        
1 1 1 11  2  21 o 85.74547 1.812836  -4.336990      3.625673 
1 1 1 11  2  22 o 111.0543 2.252771  3.136818       4.505542 
1 1 1 11  2  23 o 27.72860 3.750639  -14.74658      7.501279 
1 1 1 11  2  24 o 18.54738 3.964780  -3.388508      7.929560 
1 1 1 11  2  25 o 87.57637 2.086664  ?              ?        
1 1 1 11  2  26 o 42.99695 2.274808  -5.288548      4.549616 
1 1 1 11  2  27 o 15.11370 3.064762  -9.377889      6.129524 
1 1 1 11  2  28 o 13.59353 3.637205  -5.952546      7.274411 
1 1 1 11  2  29 x ?        ?         ?              ?        
1 1 1 11  2  30 x ?        ?         ?              ?        
1 1 1 11  3  0  o 296.4595 2.940950  4.005371       5.881900 
1 1 1 11  3  1  o 122.2973 3.621771  ?              ?        
1 1 1 11  3  2  o 504.9235 6.800515  4.297272       13.60103 
1 1 1 11  3  3  o 84.37905 1.916571  0.3636017      3.833143 
1 1 1 11  3  4  o 279.7356 3.395405  2.735535       6.790809 
1 1 1 11  3  5  o 498.2385 5.784777  -3.762390      11.56955 
1 1 1 11  3  6  o 75.71429 1.541150  -0.1691360     3.082301 
1 1 1 11  3  7  f 215.8173 2.631630  -1.010651      5.263260 
1 1 1 11  3  8  o 125.6870 1.679911  ?              ?        
1 1 1 11  3  9  o 54.46251 1.159520  ?              ?        
1 1 1 11  3  10 o 145.6592 2.387940  ?              ?        
1 1 1 11  3  11 o 188.1844 3.917854  ?              ?        
1 1 1 11  3  12 o 67.57024 2.469207  ?              ?        
1 1 1 11  3  13 f 77.38079 2.398252  ?              ?        
1 1 1 11  3  14 o 115.1365 2.671288  ?              ?        
1 1 1 11  3  15 o 20.39342 3.833216  ?              ?        
1 1 1 11  3  16 o 70.55853 2.019217  ?              ?        
1 1 1 11  3  17 f 59.28559 1.858401  ?              ?        
1 1 1 11  3  18 o 101.8786 2.186389  ?              ?        
1 1 1 11  3  19 o 140.5150 3.023225  ?              ?        
1 1 1 11  3  20 o 36.33991 2.969130  ?              ?        
1 1 1 11  3  21 o 53.34934 2.076851  7.824539       4.153702 
1 1 1 11  3  22 o 48.93930 2.310847  -1.395367      4.621694 
1 1 1 11  3  23 f 74.72767 1.858641  ?              ?        
1 1 1 11  3  24 o 23.00223 3.809893  -3.421623      7.619785 
1 1 1 11  3  25 o 13.35594 3.780572  5.778273       7.561144 
1 1 1 11  3  26 o 36.84859 2.653834  -10.01875      5.307668 
1 1 1 11  3  27 f 60.79107 2.240687  -6.149899      4.481374 
1 1 1 11  3  28 o 21.51478 3.655766  -1.162560      7.311533 
1 1 1 11  3  29 x ?        ?         ?              ?        
1 1 1 11  3  30 x ?        ?         ?              ?        
1 1 1 11  4  0  o 308.7563 3.089877  0.7642517      6.179754 
1 1 1 11  4  1  o 87.44131 1.796896  -4.859795      3.593793 
1 1 1 11  4  2  o 234.6197 3.388370  ?              ?        
1 1 1 11  4  3  o 157.8354 2.533137  -2.706451      5.066274 
1 1 1 11  4  4  o 295.3297 5.892783  ?              ?        
1 1 1 11  4  5  o 58.50403 1.894699  4.002895       3.789398 
1 1 1 11  4  6  o 67.22713 1.744383  -3.764969      3.488766 
1 1 1 11  4  7  o 186.6413 2.415588  -1.950211      4.831176 
1 1 1 11  4  8  x ?        ?         ?              ?        
1 1 1 11  4  9  o 42.78193 2.497854  ?              ?        
1 1 1 11  4  10 o 220.4442 3.181812  ?              ?        
1 1 1 11  4  11 o 36.92468 1.444320  ?              ?        
1 1 1 11  4  12 o 33.80958 1.124473  ?              ?        
1 1 1 11  4  13 o 79.85072 1.162360  ?              ?        
1 1 1 11  4  14 o 126.2452 3.212614  ?              ?        
1 1 1 11  4  15 o 52.24258 1.231689  ?              ?        
1 1 1 11  4  16 o 16.98625 2.389717  ?              ?        
1 1 1 11  4  17 o 110.5530 1.498338  ?              ?        
1 1 1 11  4  18 o 56.51006 1.343076  ?              ?        
1 1 1 11  4  19 o 72.72214 1.632919  ?              ?        
1 1 1 11  4  20 o 69.78300 1.647121  ?              ?        
1 1 1 11  4  21 o 33.89647 2.201016  ?              ?        
1 1 1 11  4  22 o 34.59391 2.928291  5.514280       5.856582 
1 1 1 11  4  23 o 73.75784 2.130549  -6.776176      4.261098 
1 1 1 11  4  24 o 29.87254 3.607544  -4.011459      7.215089 
1 1 1 11  4  25 o 84.40956 3.682201  ?              ?        
1 1 1 11  4  26 f 21.24378 3.233483  -13.86483      6.466965 
1 1 1 11  4  27 o 20.08140 3.709569  -11.05329      7.419138 
1 1 1 11  4  28 o 38.69759 2.666833  -20.76956      5.333667 
1 1 1 11  4  29 x ?        ?         ?              ?        
1 1 1 11  4  30 x ?        ?         ?              ?        
1 1 1 11  5  0  o 161.3565 2.345547  -6.603027      4.691093 
1 1 1 11  5  1  o 258.2211 3.233396  -6.928574      6.466791 
1 1 1 11  5  2  o 375.3974 4.540733  5.563324       9.081466 
1 1 1 11  5  3  o 46.49973 2.587342  ?              ?        
1 1 1 11  5  4  o 151.9178 2.221339  -9.232620      4.442678 
1 1 1 11  5  5  o 91.62751 1.926614  1.906769       3.853227 
1 1 1 11  5  6  o 107.0875 3.116797  ?              ?        
1 1 1 11  5  7  o 102.3656 2.852038  ?              ?        
1 1 1 11  5  8  o 60.86637 2.168870  ?              ?        
1 1 1 11  5  9  o 19.81327 4.842753  ?              ?        
1 1 1 11  5  10 o 81.44743 2.120490  ?              ?        
1 1 1 11  5  11 o 98.23952 1.693098  ?              ?        
1 1 1 11  5  12 o 8.585106 3.673491  ?              ?        
1 1 1 11  5  13 o 78.31158 1.417566  ?              ?        
1 1 1 11  5  14 o 200.4497 4.374307  ?              ?        
1 1 1 11  5  15 o 68.18630 1.214413  ?              ?        
1 1 1 11  5  16 o 149.7277 1.871973  ?              ?        
1 1 1 11  5  17 o 66.96835 1.313754  ?              ?        
1 1 1 11  5  18 o 42.80344 1.572185  ?              ?        
1 1 1 11  5  19 o 94.43518 1.587270  ?              ?        
1 1 1 11  5  20 o 44.56054 2.123542  ?              ?        
1 1 1 11  5  21 o 78.85205 1.861454  ?              ?        
1 1 1 11  5  22 o 14.83074 4.819724  ?              ?        
1 1 1 11  5  23 o 103.9044 3.938796  ?              ?        
1 1 1 11  5  24 o 36.14297 3.478915  -11.52149      6.957830 
1 1 1 11  5  25 o 31.55219 3.813671  -16.64920      7.627342 
1 1 1 11  5  26 o 22.20071 4.127250  5.764566       8.254499 
1 1 1 11  5  27 o 51.97699 3.821815  ?              ?        
1 1 1 11  5  28 o 11.42095 3.518046  -3.496855      7.036092 
1 1 1 11  5  29 x ?        ?         ?              ?        
1 1 1 11  5  30 x ?        ?         ?              ?        
1 1 1 11  6  0  o 190.0450 2.714876  5.519135       5.429751 
1 1 1 11  6  1  o 319.3386 4.051366  11.98468       8.102733 
1 1 1 11  6  2  o 79.92058 2.132790  4.511772       4.265579 
1 1 1 11  6  3  o 131.6543 2.219340  -4.885056      4.438680 
1 1 1 11  6  4  o 171.7795 2.515561  5.078918       5.031121 
1 1 1 11  6  5  f 151.1244 3.665710  ?              ?        
1 1 1 11  6  6  o 78.94112 2.260720  0.8949280E-01  4.521441 
1 1 1 11  6  7  o 144.6749 3.518386  ?              ?        
1 1 1 11  6  8  o 170.9943 2.791291  ?              ?        
1 1 1 11  6  9  o 90.83806 3.495774  ?              ?        
1 1 1 11  6  10 o 177.6748 4.203699  ?              ?        
1 1 1 11  6  11 o 42.89804 2.628824  ?              ?        
1 1 1 11  6  12 o 30.60609 2.621603  ?              ?        
1 1 1 11  6  13 o 33.85667 2.265333  ?              ?        
1 1 1 11  6  14 o 28.85552 2.392286  ?              ?        
1 1 1 11  6  15 o 154.5953 2.048299  ?              ?        
1 1 1 11  6  16 o 38.86444 2.769340  ?              ?        
1 1 1 11  6  17 o 73.39611 1.465746  ?              ?        
1 1 1 11  6  18 o 96.07105 1.791298  ?              ?        
1 1 1 11  6  19 o 24.72353 2.383422  ?              ?        
1 1 1 11  6  20 f 37.84026 2.136000  ?              ?        
1 1 1 11  6  21 o 59.08114 1.966381  ?              ?        
1 1 1 11  6  22 o 62.19088 2.053839  ?              ?        
1 1 1 11  6  23 o 140.9560 3.402857  ?              ?        
1 1 1 11  6  24 o 57.24408 2.693678  -5.300289      5.387355 
1 1 1 11  6  25 o 27.76548 3.930599  -7.156103      7.861198 
1 1 1 11  6  26 o 20.15559 4.085995  -0.6956673E-01 8.171990 
1 1 1 11  6  27 o 42.16989 2.656770  1.128143       5.313541 
1 1 1 11  6  28 o 22.37323 4.059125  -15.90608      8.118250 
1 1 1 11  6  29 x ?        ?         ?              ?        
1 1 1 11  6  30 x ?        ?         ?              ?        
1 1 1 11  7  0  f 97.60432 2.280704  -2.788345      4.561408 
1 1 1 11  7  1  o 68.38996 2.352506  0.1268311      4.705013 
1 1 1 11  7  2  o 161.6923 4.085359  ?              ?        
1 1 1 11  7  3  o 187.8579 3.073622  5.266022       6.147243 
1 1 1 11  7  4  o 57.72219 2.787121  0.2006531E-02  5.574242 
1 1 1 11  7  5  o 198.7717 3.156991  2.810562       6.313982 
1 1 1 11  7  6  o 52.95396 2.799547  3.078777       5.599095 
1 1 1 11  7  7  o 81.46072 3.359198  ?              ?        
1 1 1 11  7  8  o 37.98974 3.451840  ?              ?        
1 1 1 11  7  9  o 185.6495 3.049796  ?              ?        
1 1 1 11  7  10 o 39.91133 3.055991  ?              ?        
1 1 1 11  7  11 f 72.09230 2.392824  ?              ?        
1 1 1 11  7  12 o 61.52068 2.385053  ?              ?        
1 1 1 11  7  13 o 57.67976 2.055230  ?              ?        
1 1 1 11  7  14 o 51.56860 2.053172  ?              ?        
1 1 1 11  7  15 o 103.7445 1.884334  ?              ?        
1 1 1 11  7  16 o 164.7690 2.228776  ?              ?        
1 1 1 11  7  17 o 87.55173 1.713850  ?              ?        
1 1 1 11  7  18 o 89.93915 1.685278  ?              ?        
1 1 1 11  7  19 o 112.1204 2.517546  ?              ?        
1 1 1 11  7  20 o 63.01864 3.961149  ?              ?        
1 1 1 11  7  21 o 43.29522 2.058321  ?              ?        
1 1 1 11  7  22 o 41.58615 2.214008  ?              ?        
1 1 1 11  7  23 o 92.64420 2.037829  ?              ?        
1 1 1 11  7  24 o 128.0548 3.053961  ?              ?        
1 1 1 11  7  25 o 75.14295 2.448172  -5.048111      4.896343 
1 1 1 11  7  26 o 68.65579 2.329999  -21.55122      4.659997 
1 1 1 11  7  27 o 39.21808 3.136755  -19.25607      6.273511 
1 1 1 11  7  28 o 53.13950 3.998243  ?              ?        
1 1 1 11  7  29 x ?        ?         ?              ?        
1 1 1 11  8  0  o 209.3727 3.027581  5.846313       6.055163 
1 1 1 11  8  1  o 215.1352 3.054098  2.693756       6.108195 
1 1 1 11  8  2  o 196.0416 3.256454  7.173431       6.512908 
1 1 1 11  8  3  o 95.24857 2.641277  -1.749786      5.282554 
1 1 1 11  8  4  o 456.4753 6.315509  -6.996674      12.63102 
1 1 1 11  8  5  o 98.88927 2.573145  -2.706779      5.146290 
1 1 1 11  8  6  o 123.5346 3.680557  ?              ?        
1 1 1 11  8  7  o 24.52619 6.857435  ?              ?        
1 1 1 11  8  8  f 86.32344 2.565288  ?              ?        
1 1 1 11  8  9  o 138.0908 2.730175  ?              ?        
1 1 1 11  8  10 o 67.69060 2.585822  ?              ?        
1 1 1 11  8  11 o 157.3902 2.851154  ?              ?        
1 1 1 11  8  12 o 103.1161 2.523950  ?              ?        
1 1 1 11  8  13 o 83.58561 2.469762  ?              ?        
1 1 1 11  8  14 o 100.7962 2.079185  ?              ?        
1 1 1 11  8  15 o 19.86037 4.495044  ?              ?        
1 1 1 11  8  16 o 50.08457 2.229430  ?              ?        
1 1 1 11  8  17 o 140.9241 2.147171  ?              ?        
1 1 1 11  8  18 o 92.91821 1.904678  ?              ?        
1 1 1 11  8  19 o 128.9782 2.048974  ?              ?        
1 1 1 11  8  20 o 82.76971 2.398539  ?              ?        
1 1 1 11  8  21 o 45.29722 2.405070  ?              ?        
1 1 1 11  8  22 o 28.71200 2.672437  ?              ?        
1 1 1 11  8  23 o 40.35528 2.351215  ?              ?        
1 1 1 11  8  24 o 29.10041 3.033721  ?              ?        
1 1 1 11  8  25 x ?        ?         ?              ?        
1 1 1 11  8  26 o 36.89696 3.826398  -27.00320      7.652797 
1 1 1 11  8  27 o 34.29816 3.660621  -27.41199      7.321241 
1 1 1 11  8  28 o 55.49969 2.896232  -17.73720      5.792465 
1 1 1 11  8  29 x ?        ?         ?              ?        
1 1 1 11  9  0  o 166.5899 3.130927  0.2469025      6.261853 
1 1 1 11  9  1  o 167.1090 4.511076  ?              ?        
1 1 1 11  9  2  o 169.6554 3.131832  -2.843399      6.263664 
1 1 1 11  9  3  o 107.8071 2.787772  1.252686       5.575544 
1 1 1 11  9  4  o 123.0350 2.776860  -3.657784      5.553721 
1 1 1 11  9  5  o 206.5716 3.377457  2.079239       6.754914 
1 1 1 11  9  6  o 280.3038 5.899419  ?              ?        
1 1 1 11  9  7  o 176.6649 4.327400  ?              ?        
1 1 1 11  9  8  o 44.36521 4.559556  ?              ?        
1 1 1 11  9  9  o 103.0988 3.532046  ?              ?        
1 1 1 11  9  10 o 204.4393 4.676869  ?              ?        
1 1 1 11  9  11 o 108.9804 3.544538  ?              ?        
1 1 1 11  9  12 o 91.29286 3.448350  ?              ?        
1 1 1 11  9  13 o 34.09030 4.818834  ?              ?        
1 1 1 11  9  14 o 100.4861 3.556055  ?              ?        
1 1 1 11  9  15 o 147.3489 2.847103  ?              ?        
1 1 1 11  9  16 o 60.04998 2.749000  ?              ?        
1 1 1 11  9  17 o 137.6010 2.299352  ?              ?        
1 1 1 11  9  18 o 63.06906 2.314688  ?              ?        
1 1 1 11  9  19 o 63.58479 2.269069  ?              ?        
1 1 1 11  9  20 o 30.07373 3.228115  ?              ?        
1 1 1 11  9  21 o 112.6530 2.358699  ?              ?        
1 1 1 11  9  22 o 55.20306 2.177449  ?              ?        
1 1 1 11  9  23 o 35.57661 2.535002  ?              ?        
1 1 1 11  9  24 x ?        ?         ?              ?        
1 1 1 11  9  25 x ?        ?         ?              ?        
1 1 1 11  9  26 x ?        ?         ?              ?        
1 1 1 11  9  27 x ?        ?         ?              ?        
1 1 1 11  9  28 o 34.01732 3.884633  -15.35963      7.769266 
1 1 1 11  9  29 x ?        ?         ?              ?        
1 1 1 11  10 0  o 269.5192 5.830485  ?              ?        
1 1 1 11  10 1  o 184.5347 3.358984  4.147034       6.717968 
1 1 1 11  10 2  o 201.8139 3.453603  7.288467       6.907206 
1 1 1 11  10 3  o 164.2685 3.119341  3.099472       6.238682 
1 1 1 11  10 4  o 49.47681 5.210105  ?              ?        
1 1 1 11  10 5  o 62.82997 3.013558  8.781693       6.027116 
1 1 1 11  10 6  o 75.57304 3.915236  ?              ?        
1 1 1 11  10 7  o 68.21626 3.968563  ?              ?        
1 1 1 11  10 8  o 217.0404 3.567850  ?              ?        
1 1 1 11  10 9  o 99.20275 2.721903  ?              ?        
1 1 1 11  10 10 o 122.5362 2.819708  ?              ?        
1 1 1 11  10 11 o 105.2354 2.718436  ?              ?        
1 1 1 11  10 12 o 127.3809 2.832375  ?              ?        
1 1 1 11  10 13 o 38.76885 3.973253  ?              ?        
1 1 1 11  10 14 o 51.87166 3.284647  ?              ?        
1 1 1 11  10 15 o 47.82323 2.960666  ?              ?        
1 1 1 11  10 16 o 117.9694 2.388072  ?              ?        
1 1 1 11  10 17 o 46.86150 2.992259  ?              ?        
1 1 1 11  10 18 o 149.4080 2.501736  ?              ?        
1 1 1 11  10 19 o 81.68126 2.364939  ?              ?        
1 1 1 11  10 20 o 25.26431 4.621324  ?              ?        
1 1 1 11  10 21 o 51.18274 2.842306  ?              ?        
1 1 1 11  10 22 o 59.32069 2.402211  ?              ?        
1 1 1 11  10 23 o 65.60649 2.231392  ?              ?        
1 1 1 11  10 24 x ?        ?         ?              ?        
1 1 1 11  10 25 o 29.02074 3.142601  ?              ?        
1 1 1 11  10 26 x ?        ?         ?              ?        
1 1 1 11  10 27 o 30.97155 4.733392  ?              ?        
1 1 1 11  10 28 o 14.76091 5.864850  ?              ?        
1 1 1 11  11 0  o 17.35122 5.304108  -1.469431      10.60822 
1 1 1 11  11 1  o 119.0603 3.048535  10.78963       6.097071 
1 1 1 11  11 2  o 112.9312 3.107184  -8.060570      6.214369 
1 1 1 11  11 3  o 113.6969 4.139498  ?              ?        
1 1 1 11  11 4  o 76.86407 2.971258  -5.623779      5.942517 
1 1 1 11  11 5  o 134.7655 4.114030  ?              ?        
1 1 1 11  11 6  o 193.7250 4.764161  ?              ?        
1 1 1 11  11 7  o 179.7623 3.268990  ?              ?        
1 1 1 11  11 8  o 92.74298 4.100050  ?              ?        
1 1 1 11  11 9  o 169.2122 4.636496  ?              ?        
1 1 1 11  11 10 o 109.4668 4.243104  ?              ?        
1 1 1 11  11 11 o 119.3657 4.291034  ?              ?        
1 1 1 11  11 12 o 68.63469 3.170107  ?              ?        
1 1 1 11  11 13 o 37.30907 6.691819  ?              ?        
1 1 1 11  11 14 o 47.34232 3.675187  ?              ?        
1 1 1 11  11 15 o 11.17518 5.198551  ?              ?        
1 1 1 11  11 16 o 64.64574 2.865033  ?              ?        
1 1 1 11  11 17 o 139.4491 3.247370  ?              ?        
1 1 1 11  11 18 o 33.02593 5.457253  ?              ?        
1 1 1 11  11 19 f 79.77937 3.101150  ?              ?        
1 1 1 11  11 20 o 20.08957 6.288566  ?              ?        
1 1 1 11  11 21 o 56.73946 2.999694  ?              ?        
1 1 1 11  11 22 o 59.10399 2.660410  ?              ?        
1 1 1 11  11 23 o 10.40166 4.556331  ?              ?        
1 1 1 11  11 24 o 51.33796 2.455641  ?              ?        
1 1 1 11  11 25 x ?        ?         ?              ?        
1 1 1 11  11 26 o 44.08909 4.120123  ?              ?        
1 1 1 11  11 27 o 22.60270 6.048809  ?              ?        
1 1 1 11  11 28 x ?        ?         ?              ?        
1 1 1 11  12 0  o 207.2383 3.625299  1.304428       7.250598 
1 1 1 11  12 1  o 218.0452 3.742985  6.210968       7.485970 
1 1 1 11  12 2  o 136.0206 3.094468  -1.198288      6.188937 
1 1 1 11  12 3  o 85.19475 3.071993  -3.050095      6.143986 
1 1 1 11  12 4  o 154.5651 3.168891  -3.098022      6.337782 
1 1 1 11  12 5  o 135.7751 4.269781  ?              ?        
1 1 1 11  12 6  o 102.9265 4.059334  ?              ?        
1 1 1 11  12 7  o 107.9382 2.937719  ?              ?        
1 1 1 11  12 8  o 64.68339 3.162073  ?              ?        
1 1 1 11  12 9  o 53.72527 3.357042  ?              ?        
1 1 1 11  12 10 o 118.1467 2.977541  ?              ?        
1 1 1 11  12 11 o 62.81668 3.290037  ?              ?        
1 1 1 11  12 12 o 119.9993 3.065094  ?              ?        
1 1 1 11  12 13 o 61.68187 3.425538  ?              ?        
1 1 1 11  12 14 o 83.79549 3.147982  ?              ?        
1 1 1 11  12 15 o 134.2442 3.183237  ?              ?        
1 1 1 11  12 16 o 181.4410 3.517615  ?              ?        
1 1 1 11  12 17 o 122.8955 2.672233  ?              ?        
1 1 1 11  12 18 o 41.39989 4.554285  ?              ?        
1 1 1 11  12 19 o 50.14970 3.991290  ?              ?        
1 1 1 11  12 20 o 28.69198 5.952268  ?              ?        
1 1 1 11  12 21 o 44.58586 3.952480  ?              ?        
1 1 1 11  12 22 o 46.15582 2.713132  ?              ?        
1 1 1 11  12 23 o 22.49314 5.020552  ?              ?        
1 1 1 11  12 24 o 48.35637 3.595500  ?              ?        
1 1 1 11  12 25 f 30.69122 4.919673  ?              ?        
1 1 1 11  12 26 x ?        ?         ?              ?        
1 1 1 11  12 27 o 16.45902 5.903731  ?              ?        
1 1 1 11  13 0  o 95.61388 3.151892  2.921402       6.303784 
1 1 1 11  13 1  o 75.26125 3.253044  -2.481644      6.506089 
1 1 1 11  13 2  o 58.91564 3.575305  -3.741528      7.150611 
1 1 1 11  13 3  o 78.22809 3.136782  3.430992       6.273563 
1 1 1 11  13 4  o 96.48964 4.217689  ?              ?        
1 1 1 11  13 5  o 36.43844 5.978161  ?              ?        
1 1 1 11  13 6  o 50.04967 5.008181  ?              ?        
1 1 1 11  13 7  o 51.70236 3.551676  ?              ?        
1 1 1 11  13 8  o 121.8344 3.044044  ?              ?        
1 1 1 11  13 9  o 95.72296 3.043447  ?              ?        
1 1 1 11  13 10 o 83.55375 3.114723  ?              ?        
1 1 1 11  13 11 o 43.34967 4.236934  ?              ?        
1 1 1 11  13 12 o 44.32398 4.091594  ?              ?        
1 1 1 11  13 13 o 99.12234 3.236388  ?              ?        
1 1 1 11  13 14 o 88.87352 3.321774  ?              ?        
1 1 1 11  13 15 o 94.04962 3.361377  ?              ?        
1 1 1 11  13 16 o 48.21370 4.465011  ?              ?        
1 1 1 11  13 17 o 41.04228 4.235392  ?              ?        
1 1 1 11  13 18 o 61.66269 3.191448  ?              ?        
1 1 1 11  13 19 o 49.42768 3.837450  ?              ?        
1 1 1 11  13 20 o 33.34012 4.761343  ?              ?        
1 1 1 11  13 21 o 38.14936 3.490809  ?              ?        
1 1 1 11  13 22 o 83.55765 2.402596  ?              ?        
1 1 1 11  13 23 o 64.67269 2.999230  ?              ?        
1 1 1 11  13 24 x ?        ?         ?              ?        
1 1 1 11  13 25 o 35.66024 3.278961  ?              ?        
1 1 1 11  13 26 x ?        ?         ?              ?        
1 1 1 11  13 27 o 8.311252 4.093267  ?              ?        
1 1 1 11  14 0  o 142.8489 3.288883  2.628769       6.577765 
1 1 1 11  14 1  o 104.4800 3.163897  -4.002159      6.327795 
1 1 1 11  14 2  o 125.1636 3.162985  -3.026154      6.325970 
1 1 1 11  14 3  o 61.33638 3.288561  0.2919998      6.577123 
1 1 1 11  14 4  f 174.0421 4.815602  ?              ?        
1 1 1 11  14 5  o 107.8430 4.320072  ?              ?        
1 1 1 11  14 6  o 119.1244 4.421794  ?              ?        
1 1 1 11  14 7  o 39.90557 5.936784  ?              ?        
1 1 1 11  14 8  o 132.6618 4.514340  ?              ?        
1 1 1 11  14 9  o 13.30091 6.110233  ?              ?        
1 1 1 11  14 10 o 55.77414 5.098316  ?              ?        
1 1 1 11  14 11 o 79.58966 4.618145  ?              ?        
1 1 1 11  14 12 o 80.33671 4.600768  ?              ?        
1 1 1 11  14 13 o 109.6169 4.482162  ?              ?        
1 1 1 11  14 14 o 158.7431 4.758542  ?              ?        
1 1 1 11  14 15 o 68.34866 3.738802  ?              ?        
1 1 1 11  14 16 o 80.38467 3.735666  ?              ?        
1 1 1 11  14 17 o 20.49426 7.243781  ?              ?        
1 1 1 11  14 18 o 21.14123 6.334774  ?              ?        
1 1 1 11  14 19 o 16.73742 6.066914  ?              ?        
1 1 1 11  14 20 o 59.63828 2.933202  ?              ?        
1 1 1 11  14 21 o 71.83058 2.689917  ?              ?        
1 1 1 11  14 22 o 30.69267 3.586266  ?              ?        
1 1 1 11  14 23 o 12.12890 4.803944  ?              ?        
1 1 1 11  14 24 o 32.60759 2.923660  ?              ?        
1 1 1 11  14 25 x ?        ?         ?              ?        
1 1 1 11  14 26 x ?        ?         ?              ?        
1 1 1 11  15 0  o 106.5673 3.221783  6.756248       6.443567 
1 1 1 11  15 1  o 93.35887 3.221160  -1.604660      6.442320 
1 1 1 11  15 2  o 104.2277 4.567079  ?              ?        
1 1 1 11  15 3  x ?        ?         ?              ?        
1 1 1 11  15 4  o 32.73737 7.593270  ?              ?        
1 1 1 11  15 5  o 56.28954 5.244417  ?              ?        
1 1 1 11  15 6  o 49.17387 4.005462  ?              ?        
1 1 1 11  15 7  o 100.9323 3.222526  ?              ?        
1 1 1 11  15 8  o 63.71749 3.664489  ?              ?        
1 1 1 11  15 9  o 23.17263 6.754595  ?              ?        
1 1 1 11  15 10 o 84.63018 3.510840  ?              ?        
1 1 1 11  15 11 o 25.30335 7.049074  ?              ?        
1 1 1 11  15 12 o 79.53913 5.472379  ?              ?        
1 1 1 11  15 13 o 140.6908 3.517956  ?              ?        
1 1 1 11  15 14 o 118.4722 3.522507  ?              ?        
1 1 1 11  15 15 o 58.52649 4.429834  ?              ?        
1 1 1 11  15 16 o 123.8117 3.580742  ?              ?        
1 1 1 11  15 17 o 53.94852 4.353261  ?              ?        
1 1 1 11  15 18 o 22.70408 6.227897  ?              ?        
1 1 1 11  15 19 o 100.4132 2.730338  ?              ?        
1 1 1 11  15 20 o 37.17865 3.724866  ?              ?        
1 1 1 11  15 21 o 19.22482 5.391474  ?              ?        
1 1 1 11  15 22 o 33.23936 3.375480  ?              ?        
1 1 1 11  15 23 o 46.76917 2.708963  ?              ?        
1 1 1 11  15 24 o 43.89134 2.537301  ?              ?        
1 1 1 11  15 25 o 20.63810 5.262866  ?              ?        
1 1 1 11  16 0  o 46.22567 4.238637  -1.599339      8.477275 
1 1 1 11  16 1  f 90.83664 4.709525  ?              ?        
1 1 1 11  16 2  o 20.41225 8.005836  ?              ?        
1 1 1 11  16 3  o 43.31542 6.533613  ?              ?        
1 1 1 11  16 4  f 64.95483 5.058099  ?              ?        
1 1 1 11  16 5  o 99.93276 4.834147  ?              ?        
1 1 1 11  16 6  o 79.30959 3.487578  ?              ?        
1 1 1 11  16 7  o 84.09715 3.528758  ?              ?        
1 1 1 11  16 8  o 53.48014 4.264098  ?              ?        
1 1 1 11  16 9  o 75.29421 5.427852  ?              ?        
1 1 1 11  16 10 o 54.71482 6.378587  ?              ?        
1 1 1 11  16 11 o 92.70380 5.397823  ?              ?        
1 1 1 11  16 12 o 117.1963 5.254656  ?              ?        
1 1 1 11  16 13 o 38.49345 8.887874  ?              ?        
1 1 1 11  16 14 o 21.72979 8.845208  ?              ?        
1 1 1 11  16 15 o 61.23962 6.483185  ?              ?        
1 1 1 11  16 16 o 37.30847 9.580040  ?              ?        
1 1 1 11  16 17 o 29.56896 9.349938  ?              ?        
1 1 1 11  16 18 o 34.68119 8.933640  ?              ?        
1 1 1 11  16 19 o 29.04659 5.988739  ?              ?        
1 1 1 11  16 20 o 30.14289 3.984073  ?              ?        
1 1 1 11  16 21 o 36.24282 3.274650  ?              ?        
1 1 1 11  16 22 o 38.10219 2.911196  ?              ?        
1 1 1 11  16 23 o 38.61409 2.844473  ?              ?        
1 1 1 11  16 24 o 16.24132 4.648256  ?              ?        
1 1 1 11  17 0  o 114.4989 3.375059  5.180893       6.750118 
1 1 1 11  17 1  o 67.09893 3.683461  1.359116       7.366922 
1 1 1 11  17 2  o 57.08289 5.757979  ?              ?        
1 1 1 11  17 3  o 123.9815 4.851400  ?              ?        
1 1 1 11  17 4  o 114.1276 4.979007  ?              ?        
1 1 1 11  17 5  o 41.94973 4.837889  ?              ?        
1 1 1 11  17 6  o 108.2724 3.521304  ?              ?        
1 1 1 11  17 7  o 133.6795 3.574095  ?              ?        
1 1 1 11  17 8  o 34.26828 6.141073  ?              ?        
1 1 1 11  17 9  o 69.33461 4.016632  ?              ?        
1 1 1 11  17 10 o 139.6106 3.633953  ?              ?        
1 1 1 11  17 11 o 12.80431 5.999499  ?              ?        
1 1 1 11  17 12 f 50.71523 4.970624  ?              ?        
1 1 1 11  17 13 o 143.1326 3.822528  ?              ?        
1 1 1 11  17 14 o 45.38267 5.284721  ?              ?        
1 1 1 11  17 15 o 18.85857 7.278103  ?              ?        
1 1 1 11  17 16 o 17.59091 6.986223  ?              ?        
1 1 1 11  17 17 o 13.46731 6.035131  ?              ?        
1 1 1 11  17 18 o 29.50096 5.675691  ?              ?        
1 1 1 11  17 19 o 66.05457 3.336555  ?              ?        
1 1 1 11  17 20 o 31.70404 3.718967  ?              ?        
1 1 1 11  17 21 o 46.14427 2.761256  ?              ?        
1 1 1 11  17 22 o 49.85521 3.272666  ?              ?        
1 1 1 11  17 23 o 12.64770 5.262740  ?              ?        
1 1 1 11  17 24 o 25.24519 3.600992  ?              ?        
1 1 1 11  18 0  o 147.4124 3.619657  2.302155       7.239315 
1 1 1 11  18 1  o 89.03976 5.129418  ?              ?        
1 1 1 11  18 2  o 76.01293 5.360107  ?              ?        
1 1 1 11  18 3  o 85.71387 5.251601  ?              ?        
1 1 1 11  18 4  o 92.19976 5.241230  ?              ?        
1 1 1 11  18 5  o 63.79910 4.324027  ?              ?        
1 1 1 11  18 6  o 66.63862 4.217856  ?              ?        
1 1 1 11  18 7  o 51.75502 4.726176  ?              ?        
1 1 1 11  18 8  o 32.21938 6.953422  ?              ?        
1 1 1 11  18 9  o 113.6055 3.675285  ?              ?        
1 1 1 11  18 10 o 48.32860 5.007345  ?              ?        
1 1 1 11  18 11 o 31.19461 7.413682  ?              ?        
1 1 1 11  18 12 o 44.01293 5.277022  ?              ?        
1 1 1 11  18 13 o 30.98613 7.289119  ?              ?        
1 1 1 11  18 14 o 38.07567 5.786829  ?              ?        
1 1 1 11  18 15 x ?        ?         ?              ?        
1 1 1 11  18 16 o 48.38538 5.771740  ?              ?        
1 1 1 11  18 17 o 57.13304 4.958189  ?              ?        
1 1 1 11  18 18 o 47.72382 5.263034  ?              ?        
1 1 1 11  18 19 o 43.76973 3.659546  ?              ?        
1 1 1 11  18 20 o 14.23030 5.041616  ?              ?        
1 1 1 11  18 21 f 22.85786 4.549050  ?              ?        
1 1 1 11  18 22 o 16.50605 4.986736  ?              ?        
1 1 1 11  18 23 o 27.75016 3.451577  ?              ?        
1 1 1 11  19 0  o 31.99472 6.405507  4.982906       12.81101 
1 1 1 11  19 1  o 79.41589 5.555872  ?              ?        
1 1 1 11  19 2  o 69.22498 5.722882  ?              ?        
1 1 1 11  19 3  o 53.30074 6.354202  ?              ?        
1 1 1 11  19 4  o 102.4619 5.263715  ?              ?        
1 1 1 11  19 5  o 17.75099 7.228277  ?              ?        
1 1 1 11  19 6  o 107.9774 3.806056  ?              ?        
1 1 1 11  19 7  o 118.8887 3.740392  ?              ?        
1 1 1 11  19 8  o 49.48136 5.262914  ?              ?        
1 1 1 11  19 9  o 49.46885 5.181829  ?              ?        
1 1 1 11  19 10 o 19.58775 7.694017  ?              ?        
1 1 1 11  19 11 f 49.48555 7.697820  ?              ?        
1 1 1 11  19 12 o 29.15470 7.227462  ?              ?        
1 1 1 11  19 13 o 24.38991 7.380357  ?              ?        
1 1 1 11  19 14 o 31.51113 6.175430  ?              ?        
1 1 1 11  19 15 o 74.62002 3.630749  ?              ?        
1 1 1 11  19 16 o 50.71712 3.948743  ?              ?        
1 1 1 11  19 17 o 15.56027 5.843693  ?              ?        
1 1 1 11  19 18 o 21.88864 5.399066  ?              ?        
1 1 1 11  19 19 f 18.88582 5.240143  ?              ?        
1 1 1 11  19 20 o 65.99409 2.504821  ?              ?        
1 1 1 11  19 21 o 15.13603 4.952271  ?              ?        
1 1 1 11  19 22 o 8.868533 4.045308  ?              ?        
1 1 1 11  20 0  o 165.2412 5.570920  ?              ?        
1 1 1 11  20 1  o 71.94173 6.105570  ?              ?        
1 1 1 11  20 2  o 42.08752 8.932273  ?              ?        
1 1 1 11  20 3  x ?        ?         ?              ?        
1 1 1 11  20 4  o 59.77129 6.786482  ?              ?        
1 1 1 11  20 5  o 62.73803 6.341664  ?              ?        
1 1 1 11  20 6  o 94.24899 3.913865  ?              ?        
1 1 1 11  20 7  o 22.21733 7.983628  ?              ?        
1 1 1 11  20 8  o 32.88456 7.309158  ?              ?        
1 1 1 11  20 9  o 81.30859 4.169125  ?              ?        
1 1 1 11  20 10 o 26.86485 7.600533  ?              ?        
1 1 1 11  20 11 o 54.60719 4.693690  ?              ?        
1 1 1 11  20 12 o 50.49630 4.409163  ?              ?        
1 1 1 11  20 13 o 66.67550 3.689525  ?              ?        
1 1 1 11  20 14 o 79.29810 3.624106  ?              ?        
1 1 1 11  20 15 x ?        ?         ?              ?        
1 1 1 11  20 16 o 24.03438 6.088797  ?              ?        
1 1 1 11  20 17 o 18.40478 5.696332  ?              ?        
1 1 1 11  20 18 o 6.988248 3.469552  ?              ?        
1 1 1 11  20 19 o 42.94519 3.450609  ?              ?        
1 1 1 11  20 20 o 9.307803 4.187817  ?              ?        
1 1 1 11  21 0  o 26.52118 9.455795  ?              ?        
1 1 1 11  21 1  o 98.22774 5.699660  ?              ?        
1 1 1 11  21 2  o 36.36836 9.194279  ?              ?        
1 1 1 11  21 3  o 89.86259 5.833248  ?              ?        
1 1 1 11  21 4  o 53.34462 5.019292  ?              ?        
1 1 1 11  21 5  o 94.57486 3.944241  ?              ?        
1 1 1 11  21 6  o 97.91628 4.010079  ?              ?        
1 1 1 11  21 7  o 129.1203 3.847459  ?              ?        
1 1 1 11  21 8  o 48.34386 5.048627  ?              ?        
1 1 1 11  21 9  o 36.76605 5.811198  ?              ?        
1 1 1 11  21 10 o 57.40571 4.434098  ?              ?        
1 1 1 11  21 11 o 51.42177 4.317674  ?              ?        
1 1 1 11  21 12 o 40.79284 4.326771  ?              ?        
1 1 1 11  21 13 o 52.89465 3.942951  ?              ?        
1 1 1 11  21 14 o 40.24966 6.270313  ?              ?        
1 1 1 11  21 15 f 22.83190 5.967398  ?              ?        
1 1 1 11  21 16 o 15.44353 5.501336  ?              ?        
1 1 1 11  21 17 o 22.82791 5.174456  ?              ?        
1 1 1 11  21 18 o 38.55527 3.441985  ?              ?        
1 1 1 11  21 19 o 12.22396 5.051125  ?              ?        
1 1 1 11  22 0  o 48.07829 8.006332  ?              ?        
1 1 1 11  22 1  o 52.23995 7.434918  ?              ?        
1 1 1 11  22 2  o 28.26168 9.492341  ?              ?        
1 1 1 11  22 3  o 69.29905 4.297787  ?              ?        
1 1 1 11  22 4  o 19.65517 7.404644  ?              ?        
1 1 1 11  22 5  o 35.74586 6.424657  ?              ?        
1 1 1 11  22 6  o 64.28162 4.310692  ?              ?        
1 1 1 11  22 7  o 18.35346 6.992535  ?              ?        
1 1 1 11  22 8  o 31.37621 6.457957  ?              ?        
1 1 1 11  22 9  o 22.09912 7.054762  ?              ?        
1 1 1 11  22 10 o 31.72950 7.855987  ?              ?        
1 1 1 11  22 11 o 28.33753 6.149248  ?              ?        
1 1 1 11  22 12 o 30.11481 6.227436  ?              ?        
1 1 1 11  22 13 o 32.64412 4.728273  ?              ?        
1 1 1 11  22 14 o 16.53069 6.322891  ?              ?        
1 1 1 11  22 15 o 12.44991 5.191733  ?              ?        
1 1 1 11  22 16 o 28.81748 4.220294  ?              ?        
1 1 1 11  22 17 o 10.79995 4.777390  ?              ?        
1 1 1 11  22 18 o 13.06090 5.710786  ?              ?        
1 1 1 11  23 0  o 37.24377 8.961980  ?              ?        
1 1 1 11  23 1  o 52.67950 7.100061  ?              ?        
1 1 1 11  23 2  o 47.56483 7.323462  ?              ?        
1 1 1 11  23 3  o 23.04785 8.492858  ?              ?        
1 1 1 11  23 4  o 36.11732 7.956257  ?              ?        
1 1 1 11  23 5  o 19.07556 8.045030  ?              ?        
1 1 1 11  23 6  f 17.94639 7.683525  ?              ?        
1 1 1 11  23 7  o 32.39017 7.676855  ?              ?        
1 1 1 11  23 8  o 48.26815 5.905474  ?              ?        
1 1 1 11  23 9  o 20.37633 7.962184  ?              ?        
1 1 1 11  23 10 o 26.90250 7.983924  ?              ?        
1 1 1 11  23 11 o 47.42212 5.529083  ?              ?        
1 1 1 11  23 12 f 44.04353 4.623487  ?              ?        
1 1 1 11  23 13 o 24.22736 5.071164  ?              ?        
1 1 1 11  23 14 o 15.64490 5.469854  ?              ?        
1 1 1 11  23 15 o 29.77320 4.346484  ?              ?        
1 1 1 11  23 16 o 9.829142 4.477083  ?              ?        
1 1 1 11  24 0  x ?        ?         ?              ?        
1 1 1 11  24 1  x ?        ?         ?              ?        
1 1 1 11  24 2  o 52.61221 6.221416  ?              ?        
1 1 1 11  24 3  o 24.81804 7.031643  ?              ?        
1 1 1 11  24 4  o 48.06735 4.790233  ?              ?        
1 1 1 11  24 5  o 54.36784 4.220692  ?              ?        
1 1 1 11  24 6  o 40.14555 4.697349  ?              ?        
1 1 1 11  24 7  o 35.55152 5.075877  ?              ?        
1 1 1 11  24 8  o 34.45152 4.636456  ?              ?        
1 1 1 11  24 9  o 9.485363 4.442101  ?              ?        
1 1 1 11  24 10 o 37.08372 3.683862  ?              ?        
1 1 1 11  24 11 o 11.10579 4.843084  ?              ?        
1 1 1 11  24 12 o 11.98275 5.035076  ?              ?        
1 1 1 11  24 13 o 10.95922 4.803278  ?              ?        
1 1 1 11  24 14 o 32.55897 4.142012  ?              ?        
1 1 1 11  24 15 o 20.61651 5.233866  ?              ?        
1 1 1 11  25 0  o 14.06408 6.338261  ?              ?        
1 1 1 11  25 1  f 44.52620 4.285884  ?              ?        
1 1 1 11  25 2  o 41.18714 4.356401  ?              ?        
1 1 1 11  25 3  o 31.70353 5.137104  ?              ?        
1 1 1 11  25 4  o 13.22888 5.659655  ?              ?        
1 1 1 11  25 5  o 10.24809 4.805546  ?              ?        
1 1 1 11  25 6  o 33.74630 4.363576  ?              ?        
1 1 1 11  25 7  o 18.33241 5.951850  ?              ?        
1 1 1 11  25 8  o 50.20356 3.415282  ?              ?        
1 1 1 11  25 9  o 36.48357 5.594936  ?              ?        
1 1 1 11  25 10 o 11.10819 4.828120  ?              ?        
1 1 1 11  25 11 f 20.71370 5.249063  ?              ?        
1 1 1 11  25 12 o 10.00412 4.593009  ?              ?        
1 1 1 11  25 13 o 14.88345 5.298881  ?              ?        
1 1 1 11  26 0  o 10.93367 4.977432  ?              ?        
1 1 1 11  26 1  o 11.57031 5.066246  ?              ?        
1 1 1 11  26 2  o 35.01815 4.104034  ?              ?        
1 1 1 11  26 3  o 18.23389 5.890746  ?              ?        
1 1 1 11  26 4  x ?        ?         ?              ?        
1 1 1 11  26 5  o 27.52891 4.475709  ?              ?        
1 1 1 11  26 6  o 34.20446 3.931380  ?              ?        
1 1 1 11  26 7  o 36.88244 3.676138  ?              ?        
1 1 1 11  26 8  o 28.84540 4.281888  ?              ?        
1 1 1 11  26 9  o 30.33557 4.355903  ?              ?        
1 1 1 11  26 10 o 32.29558 4.012649  ?              ?        
1 1 1 11  27 0  o 11.58831 5.413871  ?              ?        
1 1 1 11  27 1  o 12.87689 5.690391  ?              ?        
1 1 1 11  27 2  o 10.63152 5.009738  ?              ?        
1 1 1 11  27 3  o 32.79906 6.086605  ?              ?        
1 1 1 11  27 4  o 12.93441 5.734672  ?              ?        
1 1 1 11  27 5  o 9.593516 4.604841  ?              ?        
1 1 1 11  27 6  o 20.99214 7.037189  ?              ?        
1 1 1 11  27 7  o 27.42266 6.714283  ?              ?        
1 1 1 11  28 0  x ?        ?         ?              ?        
1 1 1 11  28 1  x ?        ?         ?              ?        
1 1 1 11  28 2  x ?        ?         ?              ?        
1 1 1 12  0  0  o 135.1706 2.093419  -0.000000      0.000000 
1 1 1 12  0  1  o 404.9718 7.729944  -0.000000      0.000000 
1 1 1 12  0  2  o 210.0947 2.968016  -0.000000      0.000000 
1 1 1 12  0  3  o 10.63790 5.494029  -0.000000      0.000000 
1 1 1 12  0  4  o 23.04254 2.885996  -0.000000      0.000000 
1 1 1 12  0  5  x ?        ?         ?              ?        
1 1 1 12  0  6  o 234.6037 3.296773  -0.000000      0.000000 
1 1 1 12  0  7  o 53.08652 2.267638  -0.000000      0.000000 
1 1 1 12  0  8  x ?        ?         ?              ?        
1 1 1 12  0  9  x ?        ?         ?              ?        
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 x ?        ?         ?              ?        
1 1 1 12  0  14 x ?        ?         ?              ?        
1 1 1 12  0  15 x ?        ?         ?              ?        
1 1 1 12  0  16 x ?        ?         ?              ?        
1 1 1 12  0  17 x ?        ?         ?              ?        
1 1 1 12  0  18 x ?        ?         ?              ?        
1 1 1 12  0  19 x ?        ?         ?              ?        
1 1 1 12  0  20 x ?        ?         ?              ?        
1 1 1 12  0  21 x ?        ?         ?              ?        
1 1 1 12  0  22 x ?        ?         ?              ?        
1 1 1 12  0  23 x ?        ?         ?              ?        
1 1 1 12  0  24 o 119.2548 2.907127  -0.000000      0.000000 
1 1 1 12  0  25 o 71.81947 2.592789  -0.000000      0.000000 
1 1 1 12  0  26 o 27.51330 3.481849  -0.000000      0.000000 
1 1 1 12  0  27 o 50.31696 2.445242  -0.000000      0.000000 
1 1 1 12  0  28 x ?        ?         ?              ?        
1 1 1 12  0  29 x ?        ?         ?              ?        
1 1 1 12  0  30 x ?        ?         ?              ?        
1 1 1 12  1  0  o 191.9923 1.946678  -5.218231      3.893357 
1 1 1 12  1  1  o 169.3314 2.530865  -3.438782      5.061730 
1 1 1 12  1  2  o 222.9837 2.216602  -8.625763      4.433204 
1 1 1 12  1  3  o 324.5338 3.780167  2.581879       7.560334 
1 1 1 12  1  4  o 146.5225 2.099279  ?              ?        
1 1 1 12  1  5  o 163.4709 2.125846  4.851044       4.251693 
1 1 1 12  1  6  o 70.64021 1.404271  0.6604767E-01  2.808542 
1 1 1 12  1  7  o 135.8141 1.749805  -10.90553      3.499610 
1 1 1 12  1  8  o 144.4107 2.888616  ?              ?        
1 1 1 12  1  9  o 220.1521 4.307952  ?              ?        
1 1 1 12  1  10 x ?        ?         ?              ?        
1 1 1 12  1  11 x ?        ?         ?              ?        
1 1 1 12  1  12 x ?        ?         ?              ?        
1 1 1 12  1  13 x ?        ?         ?              ?        
1 1 1 12  1  14 x ?        ?         ?              ?        
1 1 1 12  1  15 x ?        ?         ?              ?        
1 1 1 12  1  16 x ?        ?         ?              ?        
1 1 1 12  1  17 x ?        ?         ?              ?        
1 1 1 12  1  18 x ?        ?         ?              ?        
1 1 1 12  1  19 x ?        ?         ?              ?        
1 1 1 12  1  20 x ?        ?         ?              ?        
1 1 1 12  1  21 x ?        ?         ?              ?        
1 1 1 12  1  22 x ?        ?         ?              ?        
1 1 1 12  1  23 o 86.98325 2.874185  ?              ?        
1 1 1 12  1  24 o 24.88882 2.846059  ?              ?        
1 1 1 12  1  25 o 41.90886 1.955524  6.876762       3.911048 
1 1 1 12  1  26 o 31.79919 2.137244  4.253553       4.274487 
1 1 1 12  1  27 o 15.64122 3.278692  -0.8534908E-01 6.557384 
1 1 1 12  1  28 x ?        ?         ?              ?        
1 1 1 12  1  29 x ?        ?         ?              ?        
1 1 1 12  1  30 x ?        ?         ?              ?        
1 1 1 12  2  0  o 143.9746 1.615787  -8.164078      3.231575 
1 1 1 12  2  1  o 149.0945 2.141528  -3.930573      4.283057 
1 1 1 12  2  2  o 123.0611 1.736637  -5.187538      3.473274 
1 1 1 12  2  3  o 165.7396 2.102808  12.83150       4.205616 
1 1 1 12  2  4  o 314.9250 3.690175  -8.059326      7.380349 
1 1 1 12  2  5  o 336.9877 3.927533  -7.814209      7.855065 
1 1 1 12  2  6  o 60.88325 1.528204  -1.860451      3.056408 
1 1 1 12  2  7  o 281.4742 3.284003  -8.803101      6.568006 
1 1 1 12  2  8  o 124.3001 1.848392  ?              ?        
1 1 1 12  2  9  f 136.9829 2.057468  ?              ?        
1 1 1 12  2  10 o 115.4842 1.778815  ?              ?        
1 1 1 12  2  11 o 138.9686 1.987746  ?              ?        
1 1 1 12  2  12 x ?        ?         ?              ?        
1 1 1 12  2  13 x ?        ?         ?              ?        
1 1 1 12  2  14 x ?        ?         ?              ?        
1 1 1 12  2  15 x ?        ?         ?              ?        
1 1 1 12  2  16 x ?        ?         ?              ?        
1 1 1 12  2  17 x ?        ?         ?              ?        
1 1 1 12  2  18 f 9.676455 4.035882  ?              ?        
1 1 1 12  2  19 o 78.47260 2.183081  ?              ?        
1 1 1 12  2  20 o 57.25788 2.456355  ?              ?        
1 1 1 12  2  21 o 116.5355 2.909028  ?              ?        
1 1 1 12  2  22 o 46.52543 3.356377  ?              ?        
1 1 1 12  2  23 o 47.93932 3.053677  ?              ?        
1 1 1 12  2  24 o 6.219927 3.034761  ?              ?        
1 1 1 12  2  25 o 37.37474 2.373757  -3.629162      4.747514 
1 1 1 12  2  26 o 16.31676 3.214366  -5.721479      6.428733 
1 1 1 12  2  27 o 39.70171 1.891178  -1.510071      3.782356 
1 1 1 12  2  28 x ?        ?         ?              ?        
1 1 1 12  2  29 x ?        ?         ?              ?        
1 1 1 12  2  30 x ?        ?         ?              ?        
1 1 1 12  3  0  o 168.5434 1.891774  -0.5055237     3.783549 
1 1 1 12  3  1  o 42.57367 2.867922  ?              ?        
1 1 1 12  3  2  o 129.3751 2.176648  -3.416054      4.353295 
1 1 1 12  3  3  o 231.1388 3.306227  -15.67661      6.612454 
1 1 1 12  3  4  o 127.9729 2.211383  -1.165459      4.422766 
1 1 1 12  3  5  o 129.2833 1.900858  -2.348297      3.801715 
1 1 1 12  3  6  o 151.0084 2.034047  -2.790863      4.068093 
1 1 1 12  3  7  o 61.11338 1.556065  -7.555672      3.112130 
1 1 1 12  3  8  o 98.35816 1.645893  ?              ?        
1 1 1 12  3  9  o 171.2962 2.056774  ?              ?        
1 1 1 12  3  10 o 196.4756 2.878906  ?              ?        
1 1 1 12  3  11 o 100.5743 1.942967  ?              ?        
1 1 1 12  3  12 o 159.2248 2.446226  ?              ?        
1 1 1 12  3  13 o 105.2590 1.918220  ?              ?        
1 1 1 12  3  14 o 79.54830 2.163756  ?              ?        
1 1 1 12  3  15 o 65.07513 1.950357  ?              ?        
1 1 1 12  3  16 o 36.40670 1.858520  ?              ?        
1 1 1 12  3  17 o 114.4719 2.336818  ?              ?        
1 1 1 12  3  18 o 100.6752 2.136520  ?              ?        
1 1 1 12  3  19 o 97.10161 2.151627  ?              ?        
1 1 1 12  3  20 o 77.69651 2.047592  ?              ?        
1 1 1 12  3  21 o 36.23782 2.766434  ?              ?        
1 1 1 12  3  22 x ?        ?         ?              ?        
1 1 1 12  3  23 o 45.04493 2.254935  ?              ?        
1 1 1 12  3  24 o 88.39190 1.788001  ?              ?        
1 1 1 12  3  25 o 43.43998 1.903422  ?              ?        
1 1 1 12  3  26 x ?        ?         ?              ?        
1 1 1 12  3  27 o 11.94665 3.487482  -0.6637764E-01 6.974964 
1 1 1 12  3  28 x ?        ?         ?              ?        
1 1 1 12  3  29 x ?        ?         ?              ?        
1 1 1 12  4  0  o 133.1422 1.762938  -1.669266      3.525876 
1 1 1 12  4  1  o 115.0790 2.022050  10.15067       4.044100 
1 1 1 12  4  2  o 372.5314 4.512611  9.082855       9.025223 
1 1 1 12  4  3  o 285.3924 3.476956  -5.422028      6.953912 
1 1 1 12  4  4  f 156.9217 2.541951  -1.706345      5.083901 
1 1 1 12  4  5  o 144.0609 3.541132  ?              ?        
1 1 1 12  4  6  o 117.6891 1.891819  -5.600914      3.783638 
1 1 1 12  4  7  o 264.5816 3.218182  -0.8403625     6.436364 
1 1 1 12  4  8  o 79.84641 1.855093  ?              ?        
1 1 1 12  4  9  f 84.41492 1.795508  ?              ?        
1 1 1 12  4  10 o 150.4373 2.369946  ?              ?        
1 1 1 12  4  11 o 123.4170 1.567835  ?              ?        
1 1 1 12  4  12 o 109.5175 2.988177  ?              ?        
1 1 1 12  4  13 o 115.5167 3.001653  ?              ?        
1 1 1 12  4  14 o 59.63800 2.720932  ?              ?        
1 1 1 12  4  15 o 101.7486 2.776613  ?              ?        
1 1 1 12  4  16 o 42.59283 2.746021  ?              ?        
1 1 1 12  4  17 o 146.4367 3.189752  ?              ?        
1 1 1 12  4  18 x ?        ?         ?              ?        
1 1 1 12  4  19 x ?        ?         ?              ?        
1 1 1 12  4  20 o 45.40584 2.239977  ?              ?        
1 1 1 12  4  21 o 90.50454 1.592861  ?              ?        
1 1 1 12  4  22 o 42.91539 1.452382  ?              ?        
1 1 1 12  4  23 o 43.21513 1.775836  ?              ?        
1 1 1 12  4  24 o 36.73393 1.901592  ?              ?        
1 1 1 12  4  25 f 14.32099 3.833478  ?              ?        
1 1 1 12  4  26 o 38.15499 1.924447  ?              ?        
1 1 1 12  4  27 o 51.08898 2.304542  -15.00557      4.609084 
1 1 1 12  4  28 x ?        ?         ?              ?        
1 1 1 12  4  29 x ?        ?         ?              ?        
1 1 1 12  5  0  o 505.5786 6.025873  8.722626       12.05175 
1 1 1 12  5  1  o 229.8654 3.020962  2.224747       6.041924 
1 1 1 12  5  2  o 242.8505 3.119481  -1.025314      6.238962 
1 1 1 12  5  3  o 210.2249 2.798883  -0.4769897     5.597765 
1 1 1 12  5  4  o 97.42480 2.264306  ?              ?        
1 1 1 12  5  5  o 161.1630 2.366916  -0.2811584     4.733832 
1 1 1 12  5  6  o 96.28700 2.015021  12.77843       4.030041 
1 1 1 12  5  7  f 121.6012 3.206221  ?              ?        
1 1 1 12  5  8  o 57.86520 2.693136  ?              ?        
1 1 1 12  5  9  o 127.3826 2.275669  ?              ?        
1 1 1 12  5  10 o 50.70844 2.059286  ?              ?        
1 1 1 12  5  11 o 93.81180 1.949372  ?              ?        
1 1 1 12  5  12 o 149.2534 1.920664  ?              ?        
1 1 1 12  5  13 o 90.34384 1.605629  ?              ?        
1 1 1 12  5  14 o 32.82272 1.190043  ?              ?        
1 1 1 12  5  15 o 112.0978 1.491712  ?              ?        
1 1 1 12  5  16 o 80.62669 1.289481  ?              ?        
1 1 1 12  5  17 o 108.6556 1.508613  ?              ?        
1 1 1 12  5  18 o 71.46585 1.331672  ?              ?        
1 1 1 12  5  19 o 93.22799 1.485053  ?              ?        
1 1 1 12  5  20 o 60.85457 1.488060  ?              ?        
1 1 1 12  5  21 o 74.41488 1.498984  ?              ?        
1 1 1 12  5  22 o 72.50262 1.870985  ?              ?        
1 1 1 12  5  23 o 87.78717 1.536497  ?              ?        
1 1 1 12  5  24 o 26.81873 2.741498  ?              ?        
1 1 1 12  5  25 x ?        ?         ?              ?        
1 1 1 12  5  26 x ?        ?         ?              ?        
1 1 1 12  5  27 o 25.39851 4.708517  ?              ?        
1 1 1 12  5  28 x ?        ?         ?              ?        
1 1 1 12  5  29 x ?        ?         ?              ?        
1 1 1 12  6  0  o 178.6788 2.633663  2.638809       5.267327 
1 1 1 12  6  1  o 69.49777 2.329697  -4.357330      4.659395 
1 1 1 12  6  2  o 293.6134 3.670241  -4.636810      7.340482 
1 1 1 12  6  3  o 118.1570 2.234572  1.777840       4.469144 
1 1 1 12  6  4  o 81.34668 2.253672  -3.346764      4.507345 
1 1 1 12  6  5  o 129.1397 2.277177  2.988297       4.554353 
1 1 1 12  6  6  o 88.22757 2.515102  ?              ?        
1 1 1 12  6  7  o 184.2382 4.040027  ?              ?        
1 1 1 12  6  8  o 96.19807 2.923759  ?              ?        
1 1 1 12  6  9  o 38.28655 4.830691  ?              ?        
1 1 1 12  6  10 o 160.8484 2.699039  ?              ?        
1 1 1 12  6  11 o 95.65960 2.151502  ?              ?        
1 1 1 12  6  12 o 53.81209 2.198506  ?              ?        
1 1 1 12  6  13 o 54.14767 1.735900  ?              ?        
1 1 1 12  6  14 f 129.3841 1.844391  ?              ?        
1 1 1 12  6  15 o 46.95761 1.546990  ?              ?        
1 1 1 12  6  16 o 103.9983 1.569922  ?              ?        
1 1 1 12  6  17 o 84.38863 1.416490  ?              ?        
1 1 1 12  6  18 o 75.02805 1.386666  ?              ?        
1 1 1 12  6  19 o 91.13487 1.533454  ?              ?        
1 1 1 12  6  20 o 64.61441 1.554019  ?              ?        
1 1 1 12  6  21 o 43.97319 1.896477  ?              ?        
1 1 1 12  6  22 x ?        ?         ?              ?        
1 1 1 12  6  23 o 46.67434 2.158165  ?              ?        
1 1 1 12  6  24 o 28.52976 2.866267  ?              ?        
1 1 1 12  6  25 o 25.60423 3.037077  ?              ?        
1 1 1 12  6  26 x ?        ?         ?              ?        
1 1 1 12  6  27 o 78.31088 3.058187  ?              ?        
1 1 1 12  6  28 x ?        ?         ?              ?        
1 1 1 12  6  29 x ?        ?         ?              ?        
1 1 1 12  7  0  o 250.0159 3.369936  6.394867       6.739872 
1 1 1 12  7  1  o 165.7806 2.636486  4.258698       5.272971 
1 1 1 12  7  2  o 170.8791 2.616824  -7.109253      5.233648 
1 1 1 12  7  3  o 106.7890 2.330903  -8.185242      4.661805 
1 1 1 12  7  4  o 123.4504 2.424119  9.657959       4.848238 
1 1 1 12  7  5  o 55.96744 3.078132  -4.881512      6.156264 
1 1 1 12  7  6  f 141.9464 2.621581  -5.035660      5.243162 
1 1 1 12  7  7  o 145.2978 3.699758  ?              ?        
1 1 1 12  7  8  o 69.44410 3.237048  ?              ?        
1 1 1 12  7  9  o 168.4190 2.849331  ?              ?        
1 1 1 12  7  10 o 32.85059 3.334557  ?              ?        
1 1 1 12  7  11 o 48.59065 2.587223  ?              ?        
1 1 1 12  7  12 o 32.96355 3.342930  ?              ?        
1 1 1 12  7  13 o 122.4407 2.005958  ?              ?        
1 1 1 12  7  14 o 78.97393 2.369440  ?              ?        
1 1 1 12  7  15 o 73.02007 2.191527  ?              ?        
1 1 1 12  7  16 o 101.9552 2.154447  ?              ?        
1 1 1 12  7  17 o 120.0095 2.213635  ?              ?        
1 1 1 12  7  18 o 137.9462 2.319723  ?              ?        
1 1 1 12  7  19 o 110.4442 1.972783  ?              ?        
1 1 1 12  7  20 o 101.2142 1.679316  ?              ?        
1 1 1 12  7  21 o 78.84988 1.597759  ?              ?        
1 1 1 12  7  22 f 42.60284 1.973501  ?              ?        
1 1 1 12  7  23 o 91.63016 1.706904  ?              ?        
1 1 1 12  7  24 o 33.54909 4.381879  ?              ?        
1 1 1 12  7  25 o 58.72840 3.264604  ?              ?        
1 1 1 12  7  26 o 29.01702 3.870920  ?              ?        
1 1 1 12  7  27 x ?        ?         ?              ?        
1 1 1 12  7  28 x ?        ?         ?              ?        
1 1 1 12  7  29 x ?        ?         ?              ?        
1 1 1 12  8  0  o 191.9579 3.435472  -3.225082      6.870945 
1 1 1 12  8  1  f 135.7069 2.568995  1.645920       5.137990 
1 1 1 12  8  2  o 200.7454 2.980198  6.402100       5.960396 
1 1 1 12  8  3  f 104.5374 2.462967  6.645660       4.925935 
1 1 1 12  8  4  o 77.12646 2.780679  -0.2914429E-01 5.561357 
1 1 1 12  8  5  o 174.5501 3.025886  5.228241       6.051771 
1 1 1 12  8  6  o 158.1340 2.838470  -3.350220      5.676940 
1 1 1 12  8  7  o 223.6300 4.873396  ?              ?        
1 1 1 12  8  8  o 60.22011 2.785282  ?              ?        
1 1 1 12  8  9  o 89.23179 2.510444  ?              ?        
1 1 1 12  8  10 o 111.6272 2.530542  ?              ?        
1 1 1 12  8  11 o 103.6004 2.467485  ?              ?        
1 1 1 12  8  12 o 49.22673 2.798273  ?              ?        
1 1 1 12  8  13 o 55.68891 2.711049  ?              ?        
1 1 1 12  8  14 o 43.57298 3.047256  ?              ?        
1 1 1 12  8  15 o 41.69413 3.187629  ?              ?        
1 1 1 12  8  16 o 55.73325 2.891721  ?              ?        
1 1 1 12  8  17 o 186.5897 3.190908  ?              ?        
1 1 1 12  8  18 o 198.6068 3.286240  ?              ?        
1 1 1 12  8  19 f 104.3179 2.675260  ?              ?        
1 1 1 12  8  20 o 36.98462 2.214329  ?              ?        
1 1 1 12  8  21 o 69.36381 1.644935  ?              ?        
1 1 1 12  8  22 o 39.46711 2.238737  ?              ?        
1 1 1 12  8  23 o 70.86921 1.937236  ?              ?        
1 1 1 12  8  24 o 60.43712 1.759112  ?              ?        
1 1 1 12  8  25 o 39.06929 2.617106  ?              ?        
1 1 1 12  8  26 o 59.74625 2.262051  ?              ?        
1 1 1 12  8  27 o 38.42213 4.797036  ?              ?        
1 1 1 12  8  28 x ?        ?         ?              ?        
1 1 1 12  9  0  o 117.2090 2.615380  -6.397888      5.230761 
1 1 1 12  9  1  o 109.3203 2.921180  7.620308       5.842360 
1 1 1 12  9  2  o 160.9263 4.454376  ?              ?        
1 1 1 12  9  3  o 61.94995 3.206040  3.840836       6.412080 
1 1 1 12  9  4  o 171.1765 3.091548  1.058105       6.183095 
1 1 1 12  9  5  o 57.41586 3.142184  4.588017       6.284367 
1 1 1 12  9  6  o 113.0539 2.627609  -4.095062      5.255219 
1 1 1 12  9  7  o 58.59386 3.860499  ?              ?        
1 1 1 12  9  8  o 154.8586 4.021884  ?              ?        
1 1 1 12  9  9  o 119.1247 3.659189  ?              ?        
1 1 1 12  9  10 o 75.24201 3.466249  ?              ?        
1 1 1 12  9  11 o 208.5895 4.732598  ?              ?        
1 1 1 12  9  12 x ?        ?         ?              ?        
1 1 1 12  9  13 o 70.63748 3.589995  ?              ?        
1 1 1 12  9  14 o 186.0995 4.436076  ?              ?        
1 1 1 12  9  15 o 24.73252 5.209442  ?              ?        
1 1 1 12  9  16 o 91.93609 2.573655  ?              ?        
1 1 1 12  9  17 o 103.3442 2.525144  ?              ?        
1 1 1 12  9  18 o 50.04675 2.534906  ?              ?        
1 1 1 12  9  19 f 84.83910 2.064967  ?              ?        
1 1 1 12  9  20 f 79.78735 1.968586  ?              ?        
1 1 1 12  9  21 o 66.74081 1.871418  ?              ?        
1 1 1 12  9  22 o 43.53568 1.942917  ?              ?        
1 1 1 12  9  23 o 58.09104 1.972021  ?              ?        
1 1 1 12  9  24 o 9.054141 3.974143  ?              ?        
1 1 1 12  9  25 o 44.30243 2.415311  ?              ?        
1 1 1 12  9  26 o 10.35880 4.551263  ?              ?        
1 1 1 12  9  27 o 21.19098 6.545304  ?              ?        
1 1 1 12  9  28 x ?        ?         ?              ?        
1 1 1 12  10 0  o 97.67279 3.259241  ?              ?        
1 1 1 12  10 1  o 95.46812 4.122128  ?              ?        
1 1 1 12  10 2  o 150.3233 3.072972  -2.640732      6.145945 
1 1 1 12  10 3  o 100.7180 2.898636  -13.04710      5.797271 
1 1 1 12  10 4  o 23.11403 7.780696  ?              ?        
1 1 1 12  10 5  o 49.24348 4.708194  ?              ?        
1 1 1 12  10 6  o 65.70533 4.082725  ?              ?        
1 1 1 12  10 7  o 98.26484 3.761528  ?              ?        
1 1 1 12  10 8  o 91.20922 2.735071  ?              ?        
1 1 1 12  10 9  o 136.7617 2.884760  ?              ?        
1 1 1 12  10 10 o 65.70594 2.903896  ?              ?        
1 1 1 12  10 11 o 103.7456 2.769453  ?              ?        
1 1 1 12  10 12 o 143.7827 4.463163  ?              ?        
1 1 1 12  10 13 o 93.05189 2.842600  ?              ?        
1 1 1 12  10 14 o 14.89502 5.912572  ?              ?        
1 1 1 12  10 15 o 105.2942 2.900379  ?              ?        
1 1 1 12  10 16 o 54.34827 2.892639  ?              ?        
1 1 1 12  10 17 o 69.71484 2.522939  ?              ?        
1 1 1 12  10 18 o 48.15123 2.944334  ?              ?        
1 1 1 12  10 19 o 18.03363 5.555397  ?              ?        
1 1 1 12  10 20 o 78.55690 2.153542  ?              ?        
1 1 1 12  10 21 o 44.41661 2.367711  ?              ?        
1 1 1 12  10 22 f 72.31941 1.874652  ?              ?        
1 1 1 12  10 23 o 38.21978 2.202071  ?              ?        
1 1 1 12  10 24 o 33.27898 2.415528  ?              ?        
1 1 1 12  10 25 o 21.30731 4.255490  ?              ?        
1 1 1 12  10 26 o 25.55369 5.573058  ?              ?        
1 1 1 12  10 27 o 8.733491 4.196472  ?              ?        
1 1 1 12  11 0  o 232.0323 3.848354  4.559021       7.696707 
1 1 1 12  11 1  o 143.4431 3.131156  5.160751       6.262311 
1 1 1 12  11 2  o 155.6526 3.171236  5.259506       6.342473 
1 1 1 12  11 3  o 48.39325 5.052502  ?              ?        
1 1 1 12  11 4  o 157.6298 4.353823  ?              ?        
1 1 1 12  11 5  o 162.3021 3.122303  7.817902       6.244606 
1 1 1 12  11 6  o 100.6702 3.878769  ?              ?        
1 1 1 12  11 7  o 83.99802 3.879061  ?              ?        
1 1 1 12  11 8  o 23.88231 7.184133  ?              ?        
1 1 1 12  11 9  o 39.91634 5.533173  ?              ?        
1 1 1 12  11 10 o 49.11110 5.099648  ?              ?        
1 1 1 12  11 11 o 87.54955 2.931736  ?              ?        
1 1 1 12  11 12 o 77.43829 2.995588  ?              ?        
1 1 1 12  11 13 o 36.84185 4.532743  ?              ?        
1 1 1 12  11 14 o 59.88738 3.376523  ?              ?        
1 1 1 12  11 15 o 146.7047 3.181474  ?              ?        
1 1 1 12  11 16 o 16.00381 6.115668  ?              ?        
1 1 1 12  11 17 o 93.36697 2.549140  ?              ?        
1 1 1 12  11 18 o 43.24099 3.398057  ?              ?        
1 1 1 12  11 19 o 28.73321 4.438852  ?              ?        
1 1 1 12  11 20 o 40.60903 3.000055  ?              ?        
1 1 1 12  11 21 o 55.75354 2.368786  ?              ?        
1 1 1 12  11 22 o 9.023197 4.061318  ?              ?        
1 1 1 12  11 23 o 26.46254 3.311340  ?              ?        
1 1 1 12  11 24 x ?        ?         ?              ?        
1 1 1 12  11 25 x ?        ?         ?              ?        
1 1 1 12  11 26 o 8.847184 4.250190  ?              ?        
1 1 1 12  11 27 o 14.76672 5.652366  ?              ?        
1 1 1 12  12 0  o 145.2024 3.182605  6.894180       6.365211 
1 1 1 12  12 1  o 151.0809 3.194382  6.292908       6.388765 
1 1 1 12  12 2  o 153.1447 3.216248  -10.09827      6.432496 
1 1 1 12  12 3  o 111.5857 2.990496  -3.574387      5.980992 
1 1 1 12  12 4  f 76.44170 3.029094  -5.489220      6.058188 
1 1 1 12  12 5  o 129.7506 4.218694  ?              ?        
1 1 1 12  12 6  o 37.64009 5.585885  ?              ?        
1 1 1 12  12 7  o 26.20791 7.480874  ?              ?        
1 1 1 12  12 8  o 73.49940 3.048721  ?              ?        
1 1 1 12  12 9  o 83.32039 3.008970  ?              ?        
1 1 1 12  12 10 o 138.9382 3.125709  ?              ?        
1 1 1 12  12 11 o 42.83143 3.932249  ?              ?        
1 1 1 12  12 12 o 162.9744 3.314133  ?              ?        
1 1 1 12  12 13 o 53.00478 3.682355  ?              ?        
1 1 1 12  12 14 o 116.4883 3.152862  ?              ?        
1 1 1 12  12 15 o 163.0861 3.371093  ?              ?        
1 1 1 12  12 16 o 207.1686 3.744510  ?              ?        
1 1 1 12  12 17 o 78.79510 2.855645  ?              ?        
1 1 1 12  12 18 o 87.47070 2.607013  ?              ?        
1 1 1 12  12 19 f 72.43858 2.621581  ?              ?        
1 1 1 12  12 20 o 28.75582 4.085607  ?              ?        
1 1 1 12  12 21 o 34.11465 3.187551  ?              ?        
1 1 1 12  12 22 o 27.03411 3.579243  ?              ?        
1 1 1 12  12 23 o 62.73181 2.798336  ?              ?        
1 1 1 12  12 24 o 35.55904 3.221686  ?              ?        
1 1 1 12  12 25 o 33.43275 3.151965  ?              ?        
1 1 1 12  12 26 x ?        ?         ?              ?        
1 1 1 12  13 0  o 79.31857 3.229930  6.023872       6.459859 
1 1 1 12  13 1  o 92.82358 3.107550  -11.46532      6.215099 
1 1 1 12  13 2  f 249.2966 4.100532  4.426682       8.201064 
1 1 1 12  13 3  o 96.18526 3.004979  -2.931877      6.009958 
1 1 1 12  13 4  o 122.0140 3.045666  -0.2691879     6.091331 
1 1 1 12  13 5  f 67.01005 4.415963  ?              ?        
1 1 1 12  13 6  o 136.8209 4.346210  ?              ?        
1 1 1 12  13 7  o 72.61842 3.125919  ?              ?        
1 1 1 12  13 8  f 159.9598 3.302656  ?              ?        
1 1 1 12  13 9  o 105.8986 3.116160  ?              ?        
1 1 1 12  13 10 o 94.17769 3.192616  ?              ?        
1 1 1 12  13 11 o 44.66242 4.261573  ?              ?        
1 1 1 12  13 12 o 154.8053 3.371846  ?              ?        
1 1 1 12  13 13 o 95.73869 3.290535  ?              ?        
1 1 1 12  13 14 o 87.27599 3.437241  ?              ?        
1 1 1 12  13 15 o 32.89938 6.076295  ?              ?        
1 1 1 12  13 16 o 82.40842 3.517633  ?              ?        
1 1 1 12  13 17 o 27.57467 5.767476  ?              ?        
1 1 1 12  13 18 o 67.27923 2.954766  ?              ?        
1 1 1 12  13 19 f 24.42703 5.132574  ?              ?        
1 1 1 12  13 20 o 67.79409 3.098955  ?              ?        
1 1 1 12  13 21 o 71.09142 2.805723  ?              ?        
1 1 1 12  13 22 o 58.78503 2.703247  ?              ?        
1 1 1 12  13 23 o 34.21146 2.872457  ?              ?        
1 1 1 12  13 24 o 11.53614 4.485127  ?              ?        
1 1 1 12  13 25 o 8.973756 3.962084  ?              ?        
1 1 1 12  13 26 o 11.22926 4.962511  ?              ?        
1 1 1 12  14 0  o 37.34700 7.300683  ?              ?        
1 1 1 12  14 1  o 126.6851 3.225604  -7.521271      6.451207 
1 1 1 12  14 2  o 57.60467 3.669873  -6.512207      7.339746 
1 1 1 12  14 3  f 33.98395 4.740041  5.870287       9.480082 
1 1 1 12  14 4  o 18.58365 7.358920  ?              ?        
1 1 1 12  14 5  f 128.4984 4.425016  ?              ?        
1 1 1 12  14 6  o 155.1987 4.689760  ?              ?        
1 1 1 12  14 7  o 93.22266 4.514824  ?              ?        
1 1 1 12  14 8  o 39.16655 6.402479  ?              ?        
1 1 1 12  14 9  o 57.70992 5.111680  ?              ?        
1 1 1 12  14 10 o 57.96197 5.230468  ?              ?        
1 1 1 12  14 11 x ?        ?         ?              ?        
1 1 1 12  14 12 o 69.78579 4.917130  ?              ?        
1 1 1 12  14 13 o 53.26910 5.452772  ?              ?        
1 1 1 12  14 14 o 50.78574 5.756894  ?              ?        
1 1 1 12  14 15 o 78.50797 3.721558  ?              ?        
1 1 1 12  14 16 o 88.86948 3.590025  ?              ?        
1 1 1 12  14 17 o 73.75557 3.806777  ?              ?        
1 1 1 12  14 18 o 54.64159 3.301418  ?              ?        
1 1 1 12  14 19 o 76.73759 3.344656  ?              ?        
1 1 1 12  14 20 f 33.76639 3.684144  ?              ?        
1 1 1 12  14 21 o 11.46014 4.795580  ?              ?        
1 1 1 12  14 22 o 45.52457 2.941627  ?              ?        
1 1 1 12  14 23 o 43.37994 2.971938  ?              ?        
1 1 1 12  14 24 o 54.36697 2.250365  ?              ?        
1 1 1 12  14 25 o 22.83666 5.760353  ?              ?        
1 1 1 12  15 0  o 114.4868 3.283605  -9.072464      6.567210 
1 1 1 12  15 1  o 52.70961 3.969851  3.050888       7.939701 
1 1 1 12  15 2  o 28.96013 5.247719  14.04012       10.49544 
1 1 1 12  15 3  o 95.53427 4.509325  ?              ?        
1 1 1 12  15 4  x ?        ?         ?              ?        
1 1 1 12  15 5  o 17.94220 7.343825  ?              ?        
1 1 1 12  15 6  f 59.10680 5.279487  ?              ?        
1 1 1 12  15 7  f 70.88573 3.533459  ?              ?        
1 1 1 12  15 8  o 82.90266 3.454846  ?              ?        
1 1 1 12  15 9  o 160.1047 3.564128  ?              ?        
1 1 1 12  15 10 o 30.74564 6.805363  ?              ?        
1 1 1 12  15 11 f 24.38517 7.350924  ?              ?        
1 1 1 12  15 12 o 114.2081 3.493579  ?              ?        
1 1 1 12  15 13 o 68.51767 3.943099  ?              ?        
1 1 1 12  15 14 o 40.38070 5.488524  ?              ?        
1 1 1 12  15 15 o 99.97536 3.563654  ?              ?        
1 1 1 12  15 16 o 94.28861 3.664983  ?              ?        
1 1 1 12  15 17 o 37.30589 5.376441  ?              ?        
1 1 1 12  15 18 o 10.51607 4.871565  ?              ?        
1 1 1 12  15 19 o 76.17336 2.711411  ?              ?        
1 1 1 12  15 20 o 51.79595 2.840011  ?              ?        
1 1 1 12  15 21 o 26.35240 3.964212  ?              ?        
1 1 1 12  15 22 o 43.96465 2.537047  ?              ?        
1 1 1 12  15 23 o 39.94725 3.047722  ?              ?        
1 1 1 12  15 24 o 16.06951 4.581731  ?              ?        
1 1 1 12  16 0  o 192.3104 3.781610  3.659668       7.563219 
1 1 1 12  16 1  o 150.1567 3.475068  17.42856       6.950136 
1 1 1 12  16 2  o 97.23560 4.797989  ?              ?        
1 1 1 12  16 3  o 92.29683 4.759681  ?              ?        
1 1 1 12  16 4  o 70.57901 5.116953  ?              ?        
1 1 1 12  16 5  o 16.67701 7.054426  ?              ?        
1 1 1 12  16 6  o 118.1000 3.400003  ?              ?        
1 1 1 12  16 7  o 69.41566 3.754957  ?              ?        
1 1 1 12  16 8  o 40.64703 5.430320  ?              ?        
1 1 1 12  16 9  o 52.74750 6.618776  ?              ?        
1 1 1 12  16 10 o 90.27496 5.324747  ?              ?        
1 1 1 12  16 11 o 72.94430 5.788321  ?              ?        
1 1 1 12  16 12 f 64.89825 6.352110  ?              ?        
1 1 1 12  16 13 o 100.8897 5.651625  ?              ?        
1 1 1 12  16 14 o 37.49252 9.722085  ?              ?        
1 1 1 12  16 15 o 25.05478 9.378549  ?              ?        
1 1 1 12  16 16 o 79.37716 3.860876  ?              ?        
1 1 1 12  16 17 o 39.16096 8.589069  ?              ?        
1 1 1 12  16 18 o 37.69122 8.155252  ?              ?        
1 1 1 12  16 19 o 61.82213 3.472961  ?              ?        
1 1 1 12  16 20 o 15.70654 6.088077  ?              ?        
1 1 1 12  16 21 o 29.92472 4.946837  ?              ?        
1 1 1 12  16 22 o 35.11872 3.762907  ?              ?        
1 1 1 12  16 23 o 40.61299 3.441972  ?              ?        
1 1 1 12  16 24 o 8.247663 3.822800  ?              ?        
1 1 1 12  17 0  o 177.6581 3.718287  5.576324       7.436574 
1 1 1 12  17 1  o 46.77682 4.704913  -4.659657      9.409825 
1 1 1 12  17 2  o 72.10182 3.762565  -12.44204      7.525131 
1 1 1 12  17 3  o 18.33651 7.764301  ?              ?        
1 1 1 12  17 4  o 25.21092 8.764581  ?              ?        
1 1 1 12  17 5  o 75.53959 5.372236  ?              ?        
1 1 1 12  17 6  o 105.1907 3.611312  ?              ?        
1 1 1 12  17 7  o 70.94405 3.950964  ?              ?        
1 1 1 12  17 8  f 72.53797 3.962441  ?              ?        
1 1 1 12  17 9  o 96.35263 3.773896  ?              ?        
1 1 1 12  17 10 o 14.81132 6.567446  ?              ?        
1 1 1 12  17 11 o 30.14601 7.731406  ?              ?        
1 1 1 12  17 12 o 27.54866 7.889401  ?              ?        
1 1 1 12  17 13 o 44.93187 5.229371  ?              ?        
1 1 1 12  17 14 o 47.73907 4.772687  ?              ?        
1 1 1 12  17 15 o 52.96707 4.180880  ?              ?        
1 1 1 12  17 16 o 20.42324 6.787300  ?              ?        
1 1 1 12  17 17 o 24.11694 6.320565  ?              ?        
1 1 1 12  17 18 o 56.99896 3.499688  ?              ?        
1 1 1 12  17 19 o 68.17606 3.164597  ?              ?        
1 1 1 12  17 20 o 19.68873 5.143948  ?              ?        
1 1 1 12  17 21 o 36.02300 3.464594  ?              ?        
1 1 1 12  17 22 o 15.86527 5.309547  ?              ?        
1 1 1 12  17 23 o 24.69858 5.902708  ?              ?        
1 1 1 12  18 0  o 21.26831 5.928223  -0.6070614     11.85645 
1 1 1 12  18 1  o 73.78177 3.847994  3.360207       7.695989 
1 1 1 12  18 2  o 28.25710 8.583164  ?              ?        
1 1 1 12  18 3  o 70.86956 5.563112  ?              ?        
1 1 1 12  18 4  o 76.14471 5.412024  ?              ?        
1 1 1 12  18 5  o 63.66461 5.971074  ?              ?        
1 1 1 12  18 6  x ?        ?         ?              ?        
1 1 1 12  18 7  o 123.4805 3.657842  ?              ?        
1 1 1 12  18 8  f 108.5948 3.776761  ?              ?        
1 1 1 12  18 9  x ?        ?         ?              ?        
1 1 1 12  18 10 o 25.58823 9.537546  ?              ?        
1 1 1 12  18 11 o 42.57939 5.435123  ?              ?        
1 1 1 12  18 12 o 30.27921 7.240476  ?              ?        
1 1 1 12  18 13 o 38.39082 5.547602  ?              ?        
1 1 1 12  18 14 o 49.88013 4.371873  ?              ?        
1 1 1 12  18 15 o 20.60488 6.964680  ?              ?        
1 1 1 12  18 16 o 26.89014 6.130157  ?              ?        
1 1 1 12  18 17 f 34.95035 6.239081  ?              ?        
1 1 1 12  18 18 o 53.09422 4.834857  ?              ?        
1 1 1 12  18 19 o 35.20787 4.756551  ?              ?        
1 1 1 12  18 20 f 35.09964 3.220628  ?              ?        
1 1 1 12  18 21 o 33.62808 3.229846  ?              ?        
1 1 1 12  18 22 o 22.06676 4.327342  ?              ?        
1 1 1 12  19 0  o 83.22543 4.113825  8.368988       8.227650 
1 1 1 12  19 1  o 25.64046 9.027296  ?              ?        
1 1 1 12  19 2  o 125.8716 5.241460  ?              ?        
1 1 1 12  19 3  o 94.88871 5.379325  ?              ?        
1 1 1 12  19 4  o 109.2680 5.380063  ?              ?        
1 1 1 12  19 5  o 45.22437 5.372376  ?              ?        
1 1 1 12  19 6  o 52.57977 4.798925  ?              ?        
1 1 1 12  19 7  o 40.18801 5.772411  ?              ?        
1 1 1 12  19 8  o 106.3412 3.905481  ?              ?        
1 1 1 12  19 9  o 38.32134 6.034957  ?              ?        
1 1 1 12  19 10 o 69.64861 4.244471  ?              ?        
1 1 1 12  19 11 o 93.70029 3.867622  ?              ?        
1 1 1 12  19 12 o 33.17095 6.021300  ?              ?        
1 1 1 12  19 13 f 85.70779 5.045107  ?              ?        
1 1 1 12  19 14 o 88.94257 3.349206  ?              ?        
1 1 1 12  19 15 o 52.46064 3.992021  ?              ?        
1 1 1 12  19 16 o 14.94996 5.902270  ?              ?        
1 1 1 12  19 17 o 36.32644 3.753405  ?              ?        
1 1 1 12  19 18 o 11.62159 4.882220  ?              ?        
1 1 1 12  19 19 o 46.46932 3.173462  ?              ?        
1 1 1 12  19 20 o 13.01922 4.798648  ?              ?        
1 1 1 12  19 21 o 22.58046 4.410202  ?              ?        
1 1 1 12  20 0  o 39.01918 9.030149  ?              ?        
1 1 1 12  20 1  o 79.40105 5.973464  ?              ?        
1 1 1 12  20 2  o 57.79598 6.822468  ?              ?        
1 1 1 12  20 3  o 57.82631 6.634634  ?              ?        
1 1 1 12  20 4  x ?        ?         ?              ?        
1 1 1 12  20 5  o 123.8207 5.484505  ?              ?        
1 1 1 12  20 6  o 88.75800 5.871332  ?              ?        
1 1 1 12  20 7  o 81.13243 4.151260  ?              ?        
1 1 1 12  20 8  o 56.01949 4.827037  ?              ?        
1 1 1 12  20 9  o 20.39588 7.603034  ?              ?        
1 1 1 12  20 10 o 82.06201 3.933166  ?              ?        
1 1 1 12  20 11 o 40.67149 5.159696  ?              ?        
1 1 1 12  20 12 o 60.74487 3.751259  ?              ?        
1 1 1 12  20 13 o 12.67057 5.904008  ?              ?        
1 1 1 12  20 14 o 50.77837 3.993530  ?              ?        
1 1 1 12  20 15 o 15.29534 6.102268  ?              ?        
1 1 1 12  20 16 o 35.77088 3.763667  ?              ?        
1 1 1 12  20 17 o 30.58849 3.901389  ?              ?        
1 1 1 12  20 18 x ?        ?         ?              ?        
1 1 1 12  20 19 o 20.27131 5.213498  ?              ?        
1 1 1 12  20 20 o 24.21656 4.711037  ?              ?        
1 1 1 12  21 0  o 31.47123 9.789300  ?              ?        
1 1 1 12  21 1  o 18.97796 8.382165  ?              ?        
1 1 1 12  21 2  o 99.17949 5.716084  ?              ?        
1 1 1 12  21 3  o 24.36295 9.186274  ?              ?        
1 1 1 12  21 4  o 62.64045 4.613678  ?              ?        
1 1 1 12  21 5  o 17.16908 7.100540  ?              ?        
1 1 1 12  21 6  o 90.39376 3.986772  ?              ?        
1 1 1 12  21 7  o 61.49705 4.565402  ?              ?        
1 1 1 12  21 8  o 69.98574 4.087236  ?              ?        
1 1 1 12  21 9  o 20.84590 7.073712  ?              ?        
1 1 1 12  21 10 o 25.21770 6.581229  ?              ?        
1 1 1 12  21 11 o 17.69897 6.481835  ?              ?        
1 1 1 12  21 12 o 28.01674 6.245712  ?              ?        
1 1 1 12  21 13 o 40.57307 4.845748  ?              ?        
1 1 1 12  21 14 o 9.358807 4.420885  ?              ?        
1 1 1 12  21 15 o 31.00537 4.003753  ?              ?        
1 1 1 12  21 16 o 35.95329 3.692142  ?              ?        
1 1 1 12  21 17 o 16.29081 5.343558  ?              ?        
1 1 1 12  21 18 o 30.45743 3.971208  ?              ?        
1 1 1 12  22 0  o 16.68408 7.687036  ?              ?        
1 1 1 12  22 1  o 105.6067 5.791849  ?              ?        
1 1 1 12  22 2  o 82.26616 5.928691  ?              ?        
1 1 1 12  22 3  o 43.76430 5.607120  ?              ?        
1 1 1 12  22 4  o 26.41897 7.531765  ?              ?        
1 1 1 12  22 5  o 76.24031 3.930770  ?              ?        
1 1 1 12  22 6  o 16.26384 6.873928  ?              ?        
1 1 1 12  22 7  o 19.11579 7.000866  ?              ?        
1 1 1 12  22 8  o 29.02076 6.376226  ?              ?        
1 1 1 12  22 9  o 53.12624 4.232728  ?              ?        
1 1 1 12  22 10 o 11.90448 5.458179  ?              ?        
1 1 1 12  22 11 o 17.65992 6.377128  ?              ?        
1 1 1 12  22 12 o 31.22993 4.961315  ?              ?        
1 1 1 12  22 13 o 43.40155 3.339531  ?              ?        
1 1 1 12  22 14 o 17.33392 5.509893  ?              ?        
1 1 1 12  22 15 o 16.72318 5.679937  ?              ?        
1 1 1 12  22 16 o 31.08908 4.048968  ?              ?        
1 1 1 12  22 17 o 11.61797 4.949115  ?              ?        
1 1 1 12  23 0  o 30.75900 9.349514  ?              ?        
1 1 1 12  23 1  f 33.75827 9.530066  ?              ?        
1 1 1 12  23 2  o 21.90981 8.666142  ?              ?        
1 1 1 12  23 3  o 33.14117 8.785394  ?              ?        
1 1 1 12  23 4  o 49.93837 6.457790  ?              ?        
1 1 1 12  23 5  o 32.70514 8.351895  ?              ?        
1 1 1 12  23 6  o 19.02719 7.808905  ?              ?        
1 1 1 12  23 7  o 43.10619 6.190991  ?              ?        
1 1 1 12  23 8  o 19.08312 7.355257  ?              ?        
1 1 1 12  23 9  o 33.75716 7.715883  ?              ?        
1 1 1 12  23 10 o 17.29221 6.746758  ?              ?        
1 1 1 12  23 11 o 8.611455 4.157963  ?              ?        
1 1 1 12  23 12 o 18.74274 5.384027  ?              ?        
1 1 1 12  23 13 o 13.27964 5.288500  ?              ?        
1 1 1 12  23 14 o 20.42944 5.494850  ?              ?        
1 1 1 12  23 15 o 12.65394 5.201622  ?              ?        
1 1 1 12  24 0  o 21.75361 8.377372  ?              ?        
1 1 1 12  24 1  x ?        ?         ?              ?        
1 1 1 12  24 2  o 32.81351 8.811978  ?              ?        
1 1 1 12  24 3  o 51.45318 6.868297  ?              ?        
1 1 1 12  24 4  o 18.81335 6.603061  ?              ?        
1 1 1 12  24 5  o 18.32769 6.427039  ?              ?        
1 1 1 12  24 6  o 71.94836 3.487067  ?              ?        
1 1 1 12  24 7  o 26.39381 5.676826  ?              ?        
1 1 1 12  24 8  o 16.45715 5.804392  ?              ?        
1 1 1 12  24 9  o 18.12507 5.861403  ?              ?        
1 1 1 12  24 10 o 11.56907 4.983592  ?              ?        
1 1 1 12  24 11 o 24.66257 5.004179  ?              ?        
1 1 1 12  24 12 o 13.71522 5.277195  ?              ?        
1 1 1 12  24 13 x ?        ?         ?              ?        
1 1 1 12  25 0  o 30.81422 6.621599  ?              ?        
1 1 1 12  25 1  o 21.11914 7.258366  ?              ?        
1 1 1 12  25 2  o 25.46842 5.690256  ?              ?        
1 1 1 12  25 3  o 21.82651 5.768652  ?              ?        
1 1 1 12  25 4  o 31.51415 4.578620  ?              ?        
1 1 1 12  25 5  o 22.65313 5.620385  ?              ?        
1 1 1 12  25 6  o 15.85102 5.538371  ?              ?        
1 1 1 12  25 7  o 39.76212 3.747333  ?              ?        
1 1 1 12  25 8  o 9.674678 4.494187  ?              ?        
1 1 1 12  25 9  o 22.56438 5.439084  ?              ?        
1 1 1 12  25 10 o 12.01701 5.089634  ?              ?        
1 1 1 12  25 11 o 14.41819 5.519267  ?              ?        
1 1 1 12  26 0  o 11.27882 5.202758  ?              ?        
1 1 1 12  26 1  o 14.58246 5.618505  ?              ?        
1 1 1 12  26 2  o 21.12535 5.702509  ?              ?        
1 1 1 12  26 3  o 39.24228 3.802360  ?              ?        
1 1 1 12  26 4  o 28.98071 4.276562  ?              ?        
1 1 1 12  26 5  f 13.57522 5.273684  ?              ?        
1 1 1 12  26 6  o 15.28781 5.562812  ?              ?        
1 1 1 12  26 7  o 22.18351 5.315121  ?              ?        
1 1 1 12  26 8  o 51.20609 3.419629  ?              ?        
1 1 1 12  26 9  o 13.99088 5.435922  ?              ?        
1 1 1 12  27 0  o 14.32282 6.189713  ?              ?        
1 1 1 12  27 1  o 31.97069 6.275593  ?              ?        
1 1 1 12  27 2  o 19.07401 6.691806  ?              ?        
1 1 1 12  27 3  o 28.83151 6.586278  ?              ?        
1 1 1 12  27 4  o 22.31412 6.987628  ?              ?        
1 1 1 12  27 5  o 14.32706 6.101837  ?              ?        
1 1 1 13  0  0  o 170.3259 2.524402  -0.000000      0.000000 
1 1 1 13  0  1  o 22.18325 3.423697  -0.000000      0.000000 
1 1 1 13  0  2  o 102.7683 2.817811  -0.000000      0.000000 
1 1 1 13  0  3  o 13.07005 5.811676  -0.000000      0.000000 
1 1 1 13  0  4  o 121.7696 2.848703  -0.000000      0.000000 
1 1 1 13  0  5  o 61.88770 1.935585  -0.000000      0.000000 
1 1 1 13  0  6  o 91.68871 1.916123  -0.000000      0.000000 
1 1 1 13  0  7  o 107.9422 2.600581  -0.000000      0.000000 
1 1 1 13  0  8  o 48.35145 2.218781  -0.000000      0.000000 
1 1 1 13  0  9  x ?        ?         ?              ?        
1 1 1 13  0  10 x ?        ?         ?              ?        
1 1 1 13  0  11 x ?        ?         ?              ?        
1 1 1 13  0  12 x ?        ?         ?              ?        
1 1 1 13  0  13 x ?        ?         ?              ?        
1 1 1 13  0  14 x ?        ?         ?              ?        
1 1 1 13  0  15 x ?        ?         ?              ?        
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 x ?        ?         ?              ?        
1 1 1 13  0  20 x ?        ?         ?              ?        
1 1 1 13  0  21 x ?        ?         ?              ?        
1 1 1 13  0  22 x ?        ?         ?              ?        
1 1 1 13  0  23 x ?        ?         ?              ?        
1 1 1 13  0  24 x ?        ?         ?              ?        
1 1 1 13  0  25 x ?        ?         ?              ?        
1 1 1 13  0  26 x ?        ?         ?              ?        
1 1 1 13  0  27 x ?        ?         ?              ?        
1 1 1 13  0  28 x ?        ?         ?              ?        
1 1 1 13  0  29 x ?        ?         ?              ?        
1 1 1 13  1  0  o 246.0090 2.428985  3.496017       4.857970 
1 1 1 13  1  1  o 336.9413 3.240802  10.72430       6.481604 
1 1 1 13  1  2  o 61.88731 2.054448  -4.707088      4.108895 
1 1 1 13  1  3  o 142.2806 1.597886  -6.696838      3.195773 
1 1 1 13  1  4  o 163.0411 2.406135  2.173477       4.812271 
1 1 1 13  1  5  o 108.2109 1.401700  1.729736       2.803400 
1 1 1 13  1  6  o 183.8123 2.398363  13.29276       4.796727 
1 1 1 13  1  7  o 163.6596 2.120759  1.601349       4.241518 
1 1 1 13  1  8  o 115.4178 1.793164  -9.854210      3.586327 
1 1 1 13  1  9  o 128.7414 1.926076  ?              ?        
1 1 1 13  1  10 x ?        ?         ?              ?        
1 1 1 13  1  11 x ?        ?         ?              ?        
1 1 1 13  1  12 x ?        ?         ?              ?        
1 1 1 13  1  13 x ?        ?         ?              ?        
1 1 1 13  1  14 x ?        ?         ?              ?        
1 1 1 13  1  15 x ?        ?         ?              ?        
1 1 1 13  1  16 x ?        ?         ?              ?        
1 1 1 13  1  17 x ?        ?         ?              ?        
1 1 1 13  1  18 x ?        ?         ?              ?        
1 1 1 13  1  19 x ?        ?         ?              ?        
1 1 1 13  1  20 x ?        ?         ?              ?        
1 1 1 13  1  21 x ?        ?         ?              ?        
1 1 1 13  1  22 x ?        ?         ?              ?        
1 1 1 13  1  23 x ?        ?         ?              ?        
1 1 1 13  1  24 x ?        ?         ?              ?        
1 1 1 13  1  25 x ?        ?         ?              ?        
1 1 1 13  1  26 x ?        ?         ?              ?        
1 1 1 13  1  27 x ?        ?         ?              ?        
1 1 1 13  1  28 x ?        ?         ?              ?        
1 1 1 13  1  29 x ?        ?         ?              ?        
1 1 1 13  2  0  o 367.1564 3.538668  16.98505       7.077336 
1 1 1 13  2  1  o 99.62672 1.434762  -14.06490      2.869524 
1 1 1 13  2  2  o 231.6482 2.914897  -8.257645      5.829794 
1 1 1 13  2  3  o 113.6410 1.696818  2.217934       3.393636 
1 1 1 13  2  4  o 156.1117 2.405875  -5.749039      4.811750 
1 1 1 13  2  5  o 271.4478 3.285582  3.009094       6.571163 
1 1 1 13  2  6  f 168.7831 2.117773  -13.74898      4.235546 
1 1 1 13  2  7  o 118.3191 1.738110  4.131737       3.476220 
1 1 1 13  2  8  o 204.7874 2.469321  -1.515991      4.938642 
1 1 1 13  2  9  f 126.8060 1.956730  ?              ?        
1 1 1 13  2  10 o 70.92740 1.330160  ?              ?        
1 1 1 13  2  11 o 203.9372 2.805500  ?              ?        
1 1 1 13  2  12 x ?        ?         ?              ?        
1 1 1 13  2  13 x ?        ?         ?              ?        
1 1 1 13  2  14 x ?        ?         ?              ?        
1 1 1 13  2  15 x ?        ?         ?              ?        
1 1 1 13  2  16 x ?        ?         ?              ?        
1 1 1 13  2  17 x ?        ?         ?              ?        
1 1 1 13  2  18 x ?        ?         ?              ?        
1 1 1 13  2  19 x ?        ?         ?              ?        
1 1 1 13  2  20 x ?        ?         ?              ?        
1 1 1 13  2  21 x ?        ?         ?              ?        
1 1 1 13  2  22 x ?        ?         ?              ?        
1 1 1 13  2  23 x ?        ?         ?              ?        
1 1 1 13  2  24 o 29.99766 3.068002  ?              ?        
1 1 1 13  2  25 o 49.85118 2.467925  ?              ?        
1 1 1 13  2  26 o 49.11440 2.552567  ?              ?        
1 1 1 13  2  27 x ?        ?         ?              ?        
1 1 1 13  2  28 x ?        ?         ?              ?        
1 1 1 13  2  29 x ?        ?         ?              ?        
1 1 1 13  3  0  o 349.4893 3.420275  4.458496       6.840550 
1 1 1 13  3  1  o 119.0381 1.610954  3.409599       3.221908 
1 1 1 13  3  2  o 264.2927 2.671322  9.000214       5.342644 
1 1 1 13  3  3  o 85.98842 1.768230  -2.432930      3.536460 
1 1 1 13  3  4  o 107.9417 2.014113  -0.6537857     4.028226 
1 1 1 13  3  5  o 91.25735 2.037850  8.673477       4.075700 
1 1 1 13  3  6  o 191.0040 2.439517  -0.1226807E-01 4.879035 
1 1 1 13  3  7  o 295.9466 3.505908  -4.511475      7.011815 
1 1 1 13  3  8  o 94.61281 2.522230  ?              ?        
1 1 1 13  3  9  o 193.0915 2.260048  ?              ?        
1 1 1 13  3  10 o 213.1315 3.055248  ?              ?        
1 1 1 13  3  11 o 124.8038 2.065535  ?              ?        
1 1 1 13  3  12 o 111.3795 1.897661  ?              ?        
1 1 1 13  3  13 o 52.97382 1.562406  ?              ?        
1 1 1 13  3  14 o 30.04861 1.842380  ?              ?        
1 1 1 13  3  15 o 169.1121 2.423167  ?              ?        
1 1 1 13  3  16 o 111.4664 1.722297  ?              ?        
1 1 1 13  3  17 o 140.2153 2.061391  ?              ?        
1 1 1 13  3  18 o 52.81520 1.571799  ?              ?        
1 1 1 13  3  19 o 66.79514 1.857458  ?              ?        
1 1 1 13  3  20 o 80.64947 2.176000  ?              ?        
1 1 1 13  3  21 o 44.12331 2.489269  ?              ?        
1 1 1 13  3  22 o 61.35837 2.357144  ?              ?        
1 1 1 13  3  23 o 15.89398 4.927762  ?              ?        
1 1 1 13  3  24 o 45.46782 2.651741  ?              ?        
1 1 1 13  3  25 o 50.73519 2.612660  ?              ?        
1 1 1 13  3  26 o 30.30146 3.354973  ?              ?        
1 1 1 13  3  27 x ?        ?         ?              ?        
1 1 1 13  3  28 x ?        ?         ?              ?        
1 1 1 13  3  29 x ?        ?         ?              ?        
1 1 1 13  4  0  o 168.9957 2.019818  -3.419495      4.039635 
1 1 1 13  4  1  o 172.3322 2.026175  -3.870438      4.052351 
1 1 1 13  4  2  o 82.57263 2.012477  3.047791       4.024955 
1 1 1 13  4  3  o 150.4062 2.430228  ?              ?        
1 1 1 13  4  4  o 159.3613 2.315564  0.6856689      4.631128 
1 1 1 13  4  5  o 197.4911 2.947144  -6.974548      5.894288 
1 1 1 13  4  6  o 100.9956 3.185856  ?              ?        
1 1 1 13  4  7  o 60.75979 1.821836  -5.136650      3.643673 
1 1 1 13  4  8  o 186.7468 2.736313  ?              ?        
1 1 1 13  4  9  o 109.8778 1.882224  ?              ?        
1 1 1 13  4  10 o 80.11184 1.511896  ?              ?        
1 1 1 13  4  11 o 83.15438 2.077992  ?              ?        
1 1 1 13  4  12 o 185.3895 2.874231  ?              ?        
1 1 1 13  4  13 o 48.91933 2.194186  ?              ?        
1 1 1 13  4  14 o 57.86833 2.679903  ?              ?        
1 1 1 13  4  15 o 84.58703 2.570020  ?              ?        
1 1 1 13  4  16 o 48.63837 2.469655  ?              ?        
1 1 1 13  4  17 o 101.1134 2.488916  ?              ?        
1 1 1 13  4  18 o 55.68954 2.161324  ?              ?        
1 1 1 13  4  19 o 76.69013 2.086659  ?              ?        
1 1 1 13  4  20 o 30.48598 2.623329  ?              ?        
1 1 1 13  4  21 o 89.09910 2.137306  ?              ?        
1 1 1 13  4  22 x ?        ?         ?              ?        
1 1 1 13  4  23 x ?        ?         ?              ?        
1 1 1 13  4  24 o 9.391222 4.122823  ?              ?        
1 1 1 13  4  25 o 37.42073 2.811632  ?              ?        
1 1 1 13  4  26 o 49.56392 2.723091  ?              ?        
1 1 1 13  4  27 x ?        ?         ?              ?        
1 1 1 13  4  28 x ?        ?         ?              ?        
1 1 1 13  5  0  o 118.3617 2.234870  5.273071       4.469739 
1 1 1 13  5  1  o 247.4857 3.230403  4.576416       6.460807 
1 1 1 13  5  2  o 118.2039 2.195957  -0.8263016     4.391915 
1 1 1 13  5  3  o 316.8446 3.886185  -3.533112      7.772369 
1 1 1 13  5  4  o 137.3826 2.322335  5.340561       4.644669 
1 1 1 13  5  5  o 115.9359 2.096946  -7.928452      4.193891 
1 1 1 13  5  6  o 52.15629 3.931370  ?              ?        
1 1 1 13  5  7  o 149.2334 2.631698  4.267746       5.263395 
1 1 1 13  5  8  o 153.9476 3.357608  ?              ?        
1 1 1 13  5  9  o 42.61693 2.160238  ?              ?        
1 1 1 13  5  10 o 39.31885 1.964076  ?              ?        
1 1 1 13  5  11 o 49.03983 1.809834  ?              ?        
1 1 1 13  5  12 o 58.75344 1.336013  ?              ?        
1 1 1 13  5  13 o 94.42078 1.336957  ?              ?        
1 1 1 13  5  14 o 52.20488 3.261350  ?              ?        
1 1 1 13  5  15 o 41.30161 3.637428  ?              ?        
1 1 1 13  5  16 f 159.9794 3.713389  ?              ?        
1 1 1 13  5  17 o 36.85408 3.779000  ?              ?        
1 1 1 13  5  18 o 73.98034 2.723607  ?              ?        
1 1 1 13  5  19 f 15.41081 5.762041  ?              ?        
1 1 1 13  5  20 o 63.82590 2.691288  ?              ?        
1 1 1 13  5  21 o 61.48845 2.383529  ?              ?        
1 1 1 13  5  22 o 105.9961 2.502146  ?              ?        
1 1 1 13  5  23 o 44.83167 2.452277  ?              ?        
1 1 1 13  5  24 o 28.25765 3.053147  ?              ?        
1 1 1 13  5  25 o 39.55193 2.811431  ?              ?        
1 1 1 13  5  26 o 40.90831 2.993795  ?              ?        
1 1 1 13  5  27 x ?        ?         ?              ?        
1 1 1 13  5  28 x ?        ?         ?              ?        
1 1 1 13  6  0  o 194.7612 2.811918  2.319183       5.623837 
1 1 1 13  6  1  o 136.6220 2.406087  1.746750       4.812175 
1 1 1 13  6  2  f 90.96524 4.194769  ?              ?        
1 1 1 13  6  3  o 46.47325 3.096974  -4.891846      6.193948 
1 1 1 13  6  4  o 228.1593 3.012737  -6.816422      6.025475 
1 1 1 13  6  5  o 143.3901 2.328119  -5.472198      4.656237 
1 1 1 13  6  6  o 103.2837 2.510351  ?              ?        
1 1 1 13  6  7  o 68.75002 2.048619  5.675797       4.097237 
1 1 1 13  6  8  o 168.0584 2.833637  ?              ?        
1 1 1 13  6  9  o 136.4528 3.668314  ?              ?        
1 1 1 13  6  10 o 168.4089 2.768876  ?              ?        
1 1 1 13  6  11 o 112.0535 2.207632  ?              ?        
1 1 1 13  6  12 f 93.60841 2.064776  ?              ?        
1 1 1 13  6  13 o 121.0791 1.809782  ?              ?        
1 1 1 13  6  14 o 86.11305 1.519832  ?              ?        
1 1 1 13  6  15 f 52.72121 1.351766  ?              ?        
1 1 1 13  6  16 o 55.61038 1.204498  ?              ?        
1 1 1 13  6  17 o 108.0560 1.518775  ?              ?        
1 1 1 13  6  18 o 89.38856 1.474643  ?              ?        
1 1 1 13  6  19 o 61.34267 1.428716  ?              ?        
1 1 1 13  6  20 o 66.79293 1.457273  ?              ?        
1 1 1 13  6  21 o 124.5642 1.717368  ?              ?        
1 1 1 13  6  22 o 25.78152 2.290588  ?              ?        
1 1 1 13  6  23 o 30.34016 1.920562  ?              ?        
1 1 1 13  6  24 o 18.67975 2.562257  ?              ?        
1 1 1 13  6  25 o 36.76902 1.765226  ?              ?        
1 1 1 13  6  26 x ?        ?         ?              ?        
1 1 1 13  6  27 x ?        ?         ?              ?        
1 1 1 13  6  28 x ?        ?         ?              ?        
1 1 1 13  7  0  o 181.6904 2.803648  -0.3635559     5.607297 
1 1 1 13  7  1  o 119.6975 2.443347  -8.866463      4.886694 
1 1 1 13  7  2  o 104.7873 2.444260  8.989166       4.888521 
1 1 1 13  7  3  o 101.7121 2.362834  -4.268860      4.725669 
1 1 1 13  7  4  o 128.1255 2.373456  -3.212364      4.746911 
1 1 1 13  7  5  o 115.8951 2.312683  9.658890       4.625366 
1 1 1 13  7  6  o 141.5238 2.374210  0.7350159E-01  4.748419 
1 1 1 13  7  7  o 114.8759 2.421732  4.482780       4.843463 
1 1 1 13  7  8  o 15.26856 5.833907  ?              ?        
1 1 1 13  7  9  o 79.16822 2.299268  ?              ?        
1 1 1 13  7  10 x ?        ?         ?              ?        
1 1 1 13  7  11 o 134.1891 2.545365  ?              ?        
1 1 1 13  7  12 o 152.0189 2.704244  ?              ?        
1 1 1 13  7  13 o 72.17211 3.775635  ?              ?        
1 1 1 13  7  14 o 84.85306 2.336306  ?              ?        
1 1 1 13  7  15 o 100.2944 1.785468  ?              ?        
1 1 1 13  7  16 o 98.97575 1.740113  ?              ?        
1 1 1 13  7  17 o 196.2101 2.426468  ?              ?        
1 1 1 13  7  18 o 96.78792 1.604254  ?              ?        
1 1 1 13  7  19 o 40.99450 1.563140  ?              ?        
1 1 1 13  7  20 o 101.0855 1.646976  ?              ?        
1 1 1 13  7  21 o 34.55875 2.019570  ?              ?        
1 1 1 13  7  22 o 75.33768 1.613081  ?              ?        
1 1 1 13  7  23 o 18.12977 3.356245  ?              ?        
1 1 1 13  7  24 o 27.14241 2.260760  ?              ?        
1 1 1 13  7  25 o 36.52465 2.195735  ?              ?        
1 1 1 13  7  26 o 46.31060 3.425179  ?              ?        
1 1 1 13  7  27 x ?        ?         ?              ?        
1 1 1 13  7  28 x ?        ?         ?              ?        
1 1 1 13  8  0  o 124.9883 4.305345  ?              ?        
1 1 1 13  8  1  o 29.69787 4.962117  12.42803       9.924233 
1 1 1 13  8  2  o 100.7955 2.508891  7.386452       5.017782 
1 1 1 13  8  3  o 73.49640 2.642407  -2.917572      5.284814 
1 1 1 13  8  4  o 162.5342 2.630857  -6.348679      5.261714 
1 1 1 13  8  5  o 101.9448 2.339049  2.289635       4.678098 
1 1 1 13  8  6  o 90.30711 2.503453  13.26132       5.006905 
1 1 1 13  8  7  o 111.3301 3.478621  ?              ?        
1 1 1 13  8  8  o 178.3173 4.159530  ?              ?        
1 1 1 13  8  9  o 62.22112 2.577148  ?              ?        
1 1 1 13  8  10 o 28.74146 3.912266  ?              ?        
1 1 1 13  8  11 o 83.02399 3.778958  ?              ?        
1 1 1 13  8  12 f 103.6426 2.500354  ?              ?        
1 1 1 13  8  13 o 86.73665 2.505519  ?              ?        
1 1 1 13  8  14 o 79.83793 2.520680  ?              ?        
1 1 1 13  8  15 o 88.33350 2.008820  ?              ?        
1 1 1 13  8  16 o 174.3496 2.388418  ?              ?        
1 1 1 13  8  17 o 58.37221 1.989559  ?              ?        
1 1 1 13  8  18 o 105.1269 1.866819  ?              ?        
1 1 1 13  8  19 o 55.70300 1.768360  ?              ?        
1 1 1 13  8  20 o 26.83136 2.440259  ?              ?        
1 1 1 13  8  21 o 75.75938 2.504457  ?              ?        
1 1 1 13  8  22 o 33.46471 2.115183  ?              ?        
1 1 1 13  8  23 o 34.54336 2.911773  ?              ?        
1 1 1 13  8  24 o 41.06157 2.148413  ?              ?        
1 1 1 13  8  25 o 34.43666 2.940335  ?              ?        
1 1 1 13  8  26 x ?        ?         ?              ?        
1 1 1 13  8  27 x ?        ?         ?              ?        
1 1 1 13  9  0  o 120.7063 2.649127  2.926689       5.298254 
1 1 1 13  9  1  o 129.2933 2.627229  -0.3244629     5.254458 
1 1 1 13  9  2  o 111.7882 4.139130  ?              ?        
1 1 1 13  9  3  o 84.92706 4.210870  ?              ?        
1 1 1 13  9  4  o 134.7649 2.825636  1.661346       5.651272 
1 1 1 13  9  5  o 76.09032 2.695261  4.721458       5.390522 
1 1 1 13  9  6  o 170.7236 3.039522  -0.8804321E-02 6.079044 
1 1 1 13  9  7  o 198.7973 4.588100  ?              ?        
1 1 1 13  9  8  o 49.14572 3.883677  ?              ?        
1 1 1 13  9  9  o 94.17922 3.546877  ?              ?        
1 1 1 13  9  10 o 144.4036 3.856198  ?              ?        
1 1 1 13  9  11 o 44.31921 4.355419  ?              ?        
1 1 1 13  9  12 o 71.16327 3.534634  ?              ?        
1 1 1 13  9  13 o 111.9338 3.563080  ?              ?        
1 1 1 13  9  14 o 84.85031 3.506857  ?              ?        
1 1 1 13  9  15 o 85.91852 2.654607  ?              ?        
1 1 1 13  9  16 o 70.88242 2.673220  ?              ?        
1 1 1 13  9  17 o 105.6254 2.474138  ?              ?        
1 1 1 13  9  18 o 61.48804 2.531507  ?              ?        
1 1 1 13  9  19 o 76.41505 2.223428  ?              ?        
1 1 1 13  9  20 o 93.16167 1.838156  ?              ?        
1 1 1 13  9  21 o 62.38750 1.752069  ?              ?        
1 1 1 13  9  22 o 36.46684 3.194323  ?              ?        
1 1 1 13  9  23 o 25.77728 2.695889  ?              ?        
1 1 1 13  9  24 f 16.27399 4.125024  ?              ?        
1 1 1 13  9  25 o 36.47217 4.239985  ?              ?        
1 1 1 13  9  26 o 52.90096 3.857624  ?              ?        
1 1 1 13  9  27 x ?        ?         ?              ?        
1 1 1 13  10 0  o 70.95398 2.954959  4.119987       5.909918 
1 1 1 13  10 1  o 68.47113 3.502464  ?              ?        
1 1 1 13  10 2  o 149.2766 3.208166  ?              ?        
1 1 1 13  10 3  o 66.31226 3.089422  -1.675385      6.178844 
1 1 1 13  10 4  o 132.5552 2.913268  -5.442444      5.826536 
1 1 1 13  10 5  o 128.8224 4.078103  ?              ?        
1 1 1 13  10 6  o 171.5954 3.152773  3.444427       6.305545 
1 1 1 13  10 7  o 31.73177 5.845158  ?              ?        
1 1 1 13  10 8  o 93.66755 2.730056  ?              ?        
1 1 1 13  10 9  o 132.3469 2.862817  ?              ?        
1 1 1 13  10 10 o 144.7717 2.965160  ?              ?        
1 1 1 13  10 11 o 130.4234 2.887565  ?              ?        
1 1 1 13  10 12 o 202.2197 3.497759  ?              ?        
1 1 1 13  10 13 o 113.0383 2.887734  ?              ?        
1 1 1 13  10 14 o 54.39873 3.303383  ?              ?        
1 1 1 13  10 15 o 12.32296 5.527990  ?              ?        
1 1 1 13  10 16 o 48.59763 3.045178  ?              ?        
1 1 1 13  10 17 o 26.01031 4.894365  ?              ?        
1 1 1 13  10 18 o 65.04522 2.452571  ?              ?        
1 1 1 13  10 19 o 70.96339 2.201087  ?              ?        
1 1 1 13  10 20 o 21.69957 4.149098  ?              ?        
1 1 1 13  10 21 o 32.11068 2.646877  ?              ?        
1 1 1 13  10 22 o 30.76667 2.383647  ?              ?        
1 1 1 13  10 23 o 42.70374 2.847778  ?              ?        
1 1 1 13  10 24 o 40.41896 2.526239  ?              ?        
1 1 1 13  10 25 o 19.09212 5.907034  ?              ?        
1 1 1 13  10 26 o 18.35249 5.850148  ?              ?        
1 1 1 13  10 27 x ?        ?         ?              ?        
1 1 1 13  11 0  o 58.09125 3.189364  8.678535       6.378729 
1 1 1 13  11 1  o 66.16498 3.362146  4.051628       6.724291 
1 1 1 13  11 2  o 110.2753 2.957908  -0.6681061     5.915816 
1 1 1 13  11 3  o 16.39280 4.882099  4.316438       9.764197 
1 1 1 13  11 4  o 124.5383 3.999741  ?              ?        
1 1 1 13  11 5  o 91.97218 2.879053  7.223541       5.758106 
1 1 1 13  11 6  o 51.90290 4.561756  ?              ?        
1 1 1 13  11 7  o 17.77802 6.788084  ?              ?        
1 1 1 13  11 8  o 19.77165 6.114326  ?              ?        
1 1 1 13  11 9  o 48.44640 5.031657  ?              ?        
1 1 1 13  11 10 o 68.17554 4.463307  ?              ?        
1 1 1 13  11 11 o 133.4212 3.014617  ?              ?        
1 1 1 13  11 12 o 109.9463 2.948097  ?              ?        
1 1 1 13  11 13 o 90.77473 3.041233  ?              ?        
1 1 1 13  11 14 o 46.29465 4.007709  ?              ?        
1 1 1 13  11 15 o 54.82637 3.816124  ?              ?        
1 1 1 13  11 16 o 125.3050 2.569763  ?              ?        
1 1 1 13  11 17 o 55.80363 3.003123  ?              ?        
1 1 1 13  11 18 f 71.55246 2.477180  ?              ?        
1 1 1 13  11 19 o 29.37341 4.001234  ?              ?        
1 1 1 13  11 20 o 51.25352 2.357221  ?              ?        
1 1 1 13  11 21 o 32.88021 2.699313  ?              ?        
1 1 1 13  11 22 o 19.89249 3.777078  ?              ?        
1 1 1 13  11 23 o 72.67949 2.188367  ?              ?        
1 1 1 13  11 24 o 36.45466 2.131509  ?              ?        
1 1 1 13  11 25 o 17.64066 5.717347  ?              ?        
1 1 1 13  11 26 o 12.90554 5.215233  ?              ?        
1 1 1 13  12 0  o 102.2026 3.024273  -0.1080093     6.048546 
1 1 1 13  12 1  o 34.72607 4.834978  -2.858429      9.669955 
1 1 1 13  12 2  o 44.25639 4.012789  -9.732445      8.025578 
1 1 1 13  12 3  o 96.85159 2.971438  7.375809       5.942877 
1 1 1 13  12 4  f 91.91656 2.907900  9.803856       5.815800 
1 1 1 13  12 5  o 135.3506 3.031234  -7.152481      6.062468 
1 1 1 13  12 6  o 178.7291 4.667692  ?              ?        
1 1 1 13  12 7  o 46.68620 4.930453  ?              ?        
1 1 1 13  12 8  o 78.45730 2.996631  ?              ?        
1 1 1 13  12 9  o 100.5283 2.993149  ?              ?        
1 1 1 13  12 10 o 86.94009 3.075757  ?              ?        
1 1 1 13  12 11 o 114.7127 3.079838  ?              ?        
1 1 1 13  12 12 o 145.3663 3.191748  ?              ?        
1 1 1 13  12 13 o 24.36635 6.544050  ?              ?        
1 1 1 13  12 14 o 71.96349 3.392483  ?              ?        
1 1 1 13  12 15 o 130.7118 3.228550  ?              ?        
1 1 1 13  12 16 o 95.84941 3.228985  ?              ?        
1 1 1 13  12 17 o 54.23008 4.325094  ?              ?        
1 1 1 13  12 18 o 62.44704 3.535643  ?              ?        
1 1 1 13  12 19 o 37.28549 4.236116  ?              ?        
1 1 1 13  12 20 o 70.00510 2.823814  ?              ?        
1 1 1 13  12 21 o 33.24484 3.507385  ?              ?        
1 1 1 13  12 22 x ?        ?         ?              ?        
1 1 1 13  12 23 o 27.02472 2.755075  ?              ?        
1 1 1 13  12 24 o 25.25839 3.317887  ?              ?        
1 1 1 13  12 25 o 33.32831 4.291195  ?              ?        
1 1 1 13  12 26 x ?        ?         ?              ?        
1 1 1 13  13 0  o 146.4564 3.258145  2.466003       6.516290 
1 1 1 13  13 1  o 125.8008 3.094012  -4.649033      6.188024 
1 1 1 13  13 2  o 142.0565 3.153098  9.766754       6.306196 
1 1 1 13  13 3  o 49.26540 3.708222  -3.960270      7.416445 
1 1 1 13  13 4  o 48.99715 3.583532  -1.061996      7.167065 
1 1 1 13  13 5  f 150.8309 4.495596  ?              ?        
1 1 1 13  13 6  o 99.71234 4.290722  ?              ?        
1 1 1 13  13 7  o 137.7328 4.380969  ?              ?        
1 1 1 13  13 8  o 105.1760 3.084324  ?              ?        
1 1 1 13  13 9  o 133.1583 3.230921  ?              ?        
1 1 1 13  13 10 o 126.0723 4.744049  ?              ?        
1 1 1 13  13 11 o 150.3736 3.381468  ?              ?        
1 1 1 13  13 12 o 144.6183 3.345841  ?              ?        
1 1 1 13  13 13 o 145.1374 3.358173  ?              ?        
1 1 1 13  13 14 o 81.17739 3.439287  ?              ?        
1 1 1 13  13 15 o 81.35803 3.510106  ?              ?        
1 1 1 13  13 16 o 132.6976 3.367858  ?              ?        
1 1 1 13  13 17 o 78.05459 3.508837  ?              ?        
1 1 1 13  13 18 o 38.88043 4.505125  ?              ?        
1 1 1 13  13 19 o 32.86440 4.623356  ?              ?        
1 1 1 13  13 20 o 59.75866 3.103379  ?              ?        
1 1 1 13  13 21 o 35.08944 3.824924  ?              ?        
1 1 1 13  13 22 o 23.03827 5.738892  ?              ?        
1 1 1 13  13 23 o 32.74799 3.005605  ?              ?        
1 1 1 13  13 24 o 9.517797 4.039559  ?              ?        
1 1 1 13  13 25 o 24.87874 5.237054  ?              ?        
1 1 1 13  14 0  o 27.60431 8.142352  ?              ?        
1 1 1 13  14 1  o 87.43336 4.594573  ?              ?        
1 1 1 13  14 2  o 136.7154 3.265068  -5.874908      6.530135 
1 1 1 13  14 3  o 86.44176 3.191928  -7.000282      6.383856 
1 1 1 13  14 4  o 87.83372 3.154618  7.854942       6.309237 
1 1 1 13  14 5  o 161.0549 4.777446  ?              ?        
1 1 1 13  14 6  o 167.6811 4.871263  ?              ?        
1 1 1 13  14 7  o 120.5018 3.324147  ?              ?        
1 1 1 13  14 8  o 83.11423 4.633980  ?              ?        
1 1 1 13  14 9  o 81.06362 4.747316  ?              ?        
1 1 1 13  14 10 o 113.6518 4.601384  ?              ?        
1 1 1 13  14 11 o 45.73677 6.007037  ?              ?        
1 1 1 13  14 12 o 100.8068 4.537760  ?              ?        
1 1 1 13  14 13 o 92.43930 4.625106  ?              ?        
1 1 1 13  14 14 f 71.94248 5.008728  ?              ?        
1 1 1 13  14 15 o 73.90378 4.999407  ?              ?        
1 1 1 13  14 16 o 65.92039 3.922192  ?              ?        
1 1 1 13  14 17 o 28.73628 6.505394  ?              ?        
1 1 1 13  14 18 o 23.32802 5.534318  ?              ?        
1 1 1 13  14 19 o 79.11848 2.496818  ?              ?        
1 1 1 13  14 20 o 33.36541 3.297352  ?              ?        
1 1 1 13  14 21 o 32.57273 3.067874  ?              ?        
1 1 1 13  14 22 o 10.88921 4.329509  ?              ?        
1 1 1 13  14 23 o 25.02378 3.211277  ?              ?        
1 1 1 13  14 24 o 12.42551 5.283567  ?              ?        
1 1 1 13  15 0  o 174.3075 5.044035  ?              ?        
1 1 1 13  15 1  o 86.18912 3.434884  -6.243355      6.869769 
1 1 1 13  15 2  o 76.17790 3.414236  3.284729       6.828472 
1 1 1 13  15 3  o 32.32072 5.606767  -0.5502052     11.21353 
1 1 1 13  15 4  x ?        ?         ?              ?        
1 1 1 13  15 5  x ?        ?         ?              ?        
1 1 1 13  15 6  o 78.21549 4.851963  ?              ?        
1 1 1 13  15 7  o 17.18114 6.767322  ?              ?        
1 1 1 13  15 8  o 76.78667 3.617521  ?              ?        
1 1 1 13  15 9  o 73.54166 3.756979  ?              ?        
1 1 1 13  15 10 f 48.37032 4.589072  ?              ?        
1 1 1 13  15 11 o 123.1937 3.544411  ?              ?        
1 1 1 13  15 12 o 59.99059 4.327399  ?              ?        
1 1 1 13  15 13 o 18.20528 7.228624  ?              ?        
1 1 1 13  15 14 o 84.13585 3.745752  ?              ?        
1 1 1 13  15 15 o 50.85139 4.569248  ?              ?        
1 1 1 13  15 16 o 61.18533 4.008466  ?              ?        
1 1 1 13  15 17 o 58.22608 3.979438  ?              ?        
1 1 1 13  15 18 o 37.61591 4.176185  ?              ?        
1 1 1 13  15 19 o 54.58936 2.810967  ?              ?        
1 1 1 13  15 20 o 15.29892 5.192544  ?              ?        
1 1 1 13  15 21 o 11.08168 4.520977  ?              ?        
1 1 1 13  15 22 o 24.03714 3.468680  ?              ?        
1 1 1 13  15 23 o 20.29931 4.158530  ?              ?        
1 1 1 13  15 24 o 20.76551 6.233290  ?              ?        
1 1 1 13  16 0  o 123.7466 3.433997  -6.279671      6.867993 
1 1 1 13  16 1  o 73.67430 3.568388  -4.275017      7.136775 
1 1 1 13  16 2  o 29.78639 5.869081  4.660900       11.73816 
1 1 1 13  16 3  o 109.7824 4.833484  ?              ?        
1 1 1 13  16 4  o 30.97112 8.612468  ?              ?        
1 1 1 13  16 5  o 84.11036 4.995833  ?              ?        
1 1 1 13  16 6  o 101.8969 4.836329  ?              ?        
1 1 1 13  16 7  o 36.78016 5.427032  ?              ?        
1 1 1 13  16 8  o 75.87937 3.922935  ?              ?        
1 1 1 13  16 9  o 23.23307 8.924322  ?              ?        
1 1 1 13  16 10 o 50.10649 7.131413  ?              ?        
1 1 1 13  16 11 o 61.63667 6.483907  ?              ?        
1 1 1 13  16 12 x ?        ?         ?              ?        
1 1 1 13  16 13 o 25.79342 7.320219  ?              ?        
1 1 1 13  16 14 o 31.75293 6.473304  ?              ?        
1 1 1 13  16 15 o 28.69662 6.491817  ?              ?        
1 1 1 13  16 16 o 34.76779 5.203889  ?              ?        
1 1 1 13  16 17 o 20.53436 6.369044  ?              ?        
1 1 1 13  16 18 o 78.19129 3.125391  ?              ?        
1 1 1 13  16 19 o 38.49291 3.348363  ?              ?        
1 1 1 13  16 20 o 14.46183 4.932461  ?              ?        
1 1 1 13  16 21 f 27.72293 3.361318  ?              ?        
1 1 1 13  16 22 o 30.25130 3.156374  ?              ?        
1 1 1 13  16 23 o 16.72804 4.623307  ?              ?        
1 1 1 13  17 0  o 117.7385 3.498242  8.742668       6.996484 
1 1 1 13  17 1  o 107.9029 3.489053  -4.662102      6.978106 
1 1 1 13  17 2  o 117.0539 3.551066  10.89806       7.102133 
1 1 1 13  17 3  o 92.79623 5.346048  ?              ?        
1 1 1 13  17 4  o 30.71815 8.543148  ?              ?        
1 1 1 13  17 5  o 30.30637 8.851688  ?              ?        
1 1 1 13  17 6  o 60.74463 4.215033  ?              ?        
1 1 1 13  17 7  o 119.7734 3.644919  ?              ?        
1 1 1 13  17 8  o 42.63054 5.617590  ?              ?        
1 1 1 13  17 9  o 49.47569 7.546733  ?              ?        
1 1 1 13  17 10 o 93.77529 3.887901  ?              ?        
1 1 1 13  17 11 o 66.73228 4.320813  ?              ?        
1 1 1 13  17 12 o 15.21043 7.026267  ?              ?        
1 1 1 13  17 13 o 45.57428 4.791151  ?              ?        
1 1 1 13  17 14 o 38.13241 5.069993  ?              ?        
1 1 1 13  17 15 o 41.11048 4.549952  ?              ?        
1 1 1 13  17 16 o 61.93949 3.512785  ?              ?        
1 1 1 13  17 17 o 22.08556 6.085112  ?              ?        
1 1 1 13  17 18 o 57.15149 3.245203  ?              ?        
1 1 1 13  17 19 o 24.61362 3.735054  ?              ?        
1 1 1 13  17 20 o 15.36367 4.991037  ?              ?        
1 1 1 13  17 21 o 21.83947 4.046031  ?              ?        
1 1 1 13  17 22 o 32.70422 3.119016  ?              ?        
1 1 1 13  18 0  o 61.92351 4.272128  13.56103       8.544255 
1 1 1 13  18 1  o 86.23553 3.755124  -2.571846      7.510247 
1 1 1 13  18 2  o 95.40571 5.282330  ?              ?        
1 1 1 13  18 3  f 114.8852 5.120790  ?              ?        
1 1 1 13  18 4  o 130.7718 5.186146  ?              ?        
1 1 1 13  18 5  o 60.70714 6.606887  ?              ?        
1 1 1 13  18 6  o 101.1377 3.832412  ?              ?        
1 1 1 13  18 7  o 76.69995 4.016944  ?              ?        
1 1 1 13  18 8  o 101.4447 3.804616  ?              ?        
1 1 1 13  18 9  o 57.48127 4.851757  ?              ?        
1 1 1 13  18 10 o 26.38925 7.753341  ?              ?        
1 1 1 13  18 11 o 75.56109 4.109084  ?              ?        
1 1 1 13  18 12 o 18.94752 7.817803  ?              ?        
1 1 1 13  18 13 o 38.37251 5.183237  ?              ?        
1 1 1 13  18 14 o 11.50646 5.259801  ?              ?        
1 1 1 13  18 15 o 35.20079 4.820505  ?              ?        
1 1 1 13  18 16 o 15.44988 6.186542  ?              ?        
1 1 1 13  18 17 o 53.24411 4.929270  ?              ?        
1 1 1 13  18 18 o 13.67710 5.713295  ?              ?        
1 1 1 13  18 19 o 17.39173 6.121877  ?              ?        
1 1 1 13  18 20 o 13.96087 5.018039  ?              ?        
1 1 1 13  18 21 o 12.74680 4.816017  ?              ?        
1 1 1 13  19 0  o 62.00414 6.198737  ?              ?        
1 1 1 13  19 1  o 39.68689 6.042193  -7.677639      12.08439 
1 1 1 13  19 2  o 38.71744 9.117113  ?              ?        
1 1 1 13  19 3  o 32.94093 9.189769  ?              ?        
1 1 1 13  19 4  o 56.71788 6.825160  ?              ?        
1 1 1 13  19 5  o 50.28381 7.443377  ?              ?        
1 1 1 13  19 6  o 52.92669 4.634383  ?              ?        
1 1 1 13  19 7  o 98.95233 3.863436  ?              ?        
1 1 1 13  19 8  o 66.53310 4.354470  ?              ?        
1 1 1 13  19 9  o 22.56596 7.593355  ?              ?        
1 1 1 13  19 10 o 78.54522 3.981596  ?              ?        
1 1 1 13  19 11 o 22.78599 7.103627  ?              ?        
1 1 1 13  19 12 o 80.03651 3.700902  ?              ?        
1 1 1 13  19 13 o 23.24609 6.096908  ?              ?        
1 1 1 13  19 14 o 74.36638 3.386922  ?              ?        
1 1 1 13  19 15 o 9.743335 4.689271  ?              ?        
1 1 1 13  19 16 o 12.40847 5.229865  ?              ?        
1 1 1 13  19 17 o 15.76573 5.333011  ?              ?        
1 1 1 13  19 18 o 9.323905 4.256543  ?              ?        
1 1 1 13  19 19 o 19.06534 5.360824  ?              ?        
1 1 1 13  19 20 o 9.298288 4.165077  ?              ?        
1 1 1 13  20 0  o 40.68899 9.239028  ?              ?        
1 1 1 13  20 1  o 25.33977 9.630792  ?              ?        
1 1 1 13  20 2  o 70.02815 6.111099  ?              ?        
1 1 1 13  20 3  o 35.21897 9.551485  ?              ?        
1 1 1 13  20 4  x ?        ?         ?              ?        
1 1 1 13  20 5  o 15.18148 7.116186  ?              ?        
1 1 1 13  20 6  o 59.09697 6.512493  ?              ?        
1 1 1 13  20 7  o 15.54832 6.756423  ?              ?        
1 1 1 13  20 8  o 24.08799 7.537042  ?              ?        
1 1 1 13  20 9  o 42.09639 4.991936  ?              ?        
1 1 1 13  20 10 o 47.03611 4.718895  ?              ?        
1 1 1 13  20 11 o 40.95396 4.670436  ?              ?        
1 1 1 13  20 12 o 20.14323 6.734264  ?              ?        
1 1 1 13  20 13 o 60.83707 3.693121  ?              ?        
1 1 1 13  20 14 o 12.44925 5.600906  ?              ?        
1 1 1 13  20 15 o 20.26393 5.590233  ?              ?        
1 1 1 13  20 16 o 37.81105 3.545660  ?              ?        
1 1 1 13  20 17 o 20.17145 5.077896  ?              ?        
1 1 1 13  20 18 o 39.81634 3.333591  ?              ?        
1 1 1 13  20 19 o 14.98625 5.364075  ?              ?        
1 1 1 13  21 0  o 95.71758 5.658699  ?              ?        
1 1 1 13  21 1  o 74.77091 5.913140  ?              ?        
1 1 1 13  21 2  o 82.34365 5.771523  ?              ?        
1 1 1 13  21 3  o 80.73103 5.828142  ?              ?        
1 1 1 13  21 4  o 44.73021 8.008789  ?              ?        
1 1 1 13  21 5  o 99.73731 3.919391  ?              ?        
1 1 1 13  21 6  o 69.88496 4.196231  ?              ?        
1 1 1 13  21 7  f 54.02065 4.669634  ?              ?        
1 1 1 13  21 8  o 47.52726 7.212750  ?              ?        
1 1 1 13  21 9  o 69.42464 3.777729  ?              ?        
1 1 1 13  21 10 o 27.23107 6.288339  ?              ?        
1 1 1 13  21 11 o 19.74439 6.494326  ?              ?        
1 1 1 13  21 12 o 11.77422 5.329504  ?              ?        
1 1 1 13  21 13 o 10.30637 4.745459  ?              ?        
1 1 1 13  21 14 o 21.69582 5.158332  ?              ?        
1 1 1 13  21 15 o 39.18199 3.486703  ?              ?        
1 1 1 13  21 16 o 28.21327 4.122235  ?              ?        
1 1 1 13  21 17 o 13.31266 5.181324  ?              ?        
1 1 1 13  22 0  o 71.47182 6.095938  ?              ?        
1 1 1 13  22 1  o 101.2655 5.627076  ?              ?        
1 1 1 13  22 2  o 57.16471 6.559610  ?              ?        
1 1 1 13  22 3  o 55.16577 6.398369  ?              ?        
1 1 1 13  22 4  o 14.98888 6.586456  ?              ?        
1 1 1 13  22 5  f 60.07894 4.395820  ?              ?        
1 1 1 13  22 6  o 12.39406 5.743479  ?              ?        
1 1 1 13  22 7  o 11.52525 5.423742  ?              ?        
1 1 1 13  22 8  f 24.07693 6.841578  ?              ?        
1 1 1 13  22 9  o 19.69858 6.548776  ?              ?        
1 1 1 13  22 10 o 13.44133 5.713634  ?              ?        
1 1 1 13  22 11 x ?        ?         ?              ?        
1 1 1 13  22 12 o 18.57166 5.833133  ?              ?        
1 1 1 13  22 13 f 21.62666 5.434849  ?              ?        
1 1 1 13  22 14 o 39.15714 3.559148  ?              ?        
1 1 1 13  22 15 o 32.24137 3.954064  ?              ?        
1 1 1 13  22 16 o 26.86663 4.434042  ?              ?        
1 1 1 13  23 0  o 20.39313 8.274841  ?              ?        
1 1 1 13  23 1  o 24.95232 8.642341  ?              ?        
1 1 1 13  23 2  o 42.30196 7.024879  ?              ?        
1 1 1 13  23 3  o 32.22477 6.472003  ?              ?        
1 1 1 13  23 4  o 15.37387 6.512013  ?              ?        
1 1 1 13  23 5  o 52.70846 4.366529  ?              ?        
1 1 1 13  23 6  o 66.10604 3.813609  ?              ?        
1 1 1 13  23 7  o 11.05916 5.062758  ?              ?        
1 1 1 13  23 8  o 22.02591 6.285941  ?              ?        
1 1 1 13  23 9  x ?        ?         ?              ?        
1 1 1 13  23 10 o 18.80342 5.637020  ?              ?        
1 1 1 13  23 11 o 25.16642 4.959897  ?              ?        
1 1 1 13  23 12 o 13.76359 5.469167  ?              ?        
1 1 1 13  23 13 o 49.51976 3.240758  ?              ?        
1 1 1 13  23 14 o 12.99327 5.242449  ?              ?        
1 1 1 13  24 0  o 28.80146 8.445322  ?              ?        
1 1 1 13  24 1  f 12.11696 5.677046  ?              ?        
1 1 1 13  24 2  x ?        ?         ?              ?        
1 1 1 13  24 3  o 22.99625 8.220718  ?              ?        
1 1 1 13  24 4  o 22.44500 8.162611  ?              ?        
1 1 1 13  24 5  o 35.66896 4.359119  ?              ?        
1 1 1 13  24 6  o 24.06500 5.450009  ?              ?        
1 1 1 13  24 7  o 32.35815 6.467856  ?              ?        
1 1 1 13  24 8  o 27.84003 4.635908  ?              ?        
1 1 1 13  24 9  o 10.55032 4.718480  ?              ?        
1 1 1 13  24 10 o 7.645045 3.711673  ?              ?        
1 1 1 13  24 11 o 10.62503 4.752045  ?              ?        
1 1 1 13  24 12 o 25.04708 4.932068  ?              ?        
1 1 1 13  25 0  o 14.31374 6.160414  ?              ?        
1 1 1 13  25 1  f 31.73097 6.041254  ?              ?        
1 1 1 13  25 2  o 39.57467 3.830323  ?              ?        
1 1 1 13  25 3  o 10.95953 4.866896  ?              ?        
1 1 1 13  25 4  f 42.82905 3.713080  ?              ?        
1 1 1 13  25 5  o 17.44791 5.765683  ?              ?        
1 1 1 13  25 6  f 21.25545 5.590729  ?              ?        
1 1 1 13  25 7  o 17.96646 5.703106  ?              ?        
1 1 1 13  25 8  o 26.89449 4.852347  ?              ?        
1 1 1 13  25 9  o 12.45206 5.160032  ?              ?        
1 1 1 13  25 10 o 20.68090 5.639170  ?              ?        
1 1 1 13  26 0  o 16.50075 6.371459  ?              ?        
1 1 1 13  26 1  o 24.50512 5.204759  ?              ?        
1 1 1 13  26 2  o 26.20615 5.082765  ?              ?        
1 1 1 13  26 3  o 9.374985 4.394760  ?              ?        
1 1 1 13  26 4  f 8.046648 3.928437  ?              ?        
1 1 1 13  26 5  o 21.28386 5.494088  ?              ?        
1 1 1 13  26 6  o 7.945498 3.870269  ?              ?        
1 1 1 13  26 7  o 32.65258 4.153349  ?              ?        
1 1 1 13  27 0  o 19.26128 6.814138  ?              ?        
1 1 1 13  27 1  o 14.61664 6.257452  ?              ?        
1 1 1 13  27 2  o 10.10798 4.873206  ?              ?        
1 1 1 13  27 3  o 38.81783 5.562989  ?              ?        
1 1 1 14  0  0  o 89.85307 1.932274  -0.000000      0.000000 
1 1 1 14  0  1  o 137.7000 2.251054  -0.000000      0.000000 
1 1 1 14  0  2  o 30.90309 3.420646  -0.000000      0.000000 
1 1 1 14  0  3  o 170.3470 3.797774  -0.000000      0.000000 
1 1 1 14  0  4  o 67.08457 1.974512  -0.000000      0.000000 
1 1 1 14  0  5  o 85.49432 2.571813  -0.000000      0.000000 
1 1 1 14  0  6  o 22.87548 4.529204  -0.000000      0.000000 
1 1 1 14  0  7  o 31.01271 3.434838  -0.000000      0.000000 
1 1 1 14  0  8  o 64.87627 2.311340  -0.000000      0.000000 
1 1 1 14  0  9  x ?        ?         ?              ?        
1 1 1 14  0  10 x ?        ?         ?              ?        
1 1 1 14  0  11 x ?        ?         ?              ?        
1 1 1 14  0  12 x ?        ?         ?              ?        
1 1 1 14  0  13 x ?        ?         ?              ?        
1 1 1 14  0  14 x ?        ?         ?              ?        
1 1 1 14  0  15 x ?        ?         ?              ?        
1 1 1 14  0  16 x ?        ?         ?              ?        
1 1 1 14  0  17 x ?        ?         ?              ?        
1 1 1 14  0  18 x ?        ?         ?              ?        
1 1 1 14  0  19 x ?        ?         ?              ?        
1 1 1 14  0  20 x ?        ?         ?              ?        
1 1 1 14  0  21 x ?        ?         ?              ?        
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 x ?        ?         ?              ?        
1 1 1 14  0  27 x ?        ?         ?              ?        
1 1 1 14  0  28 x ?        ?         ?              ?        
1 1 1 14  1  0  o 221.0889 2.243969  9.008362       4.487938 
1 1 1 14  1  1  o 193.0461 2.007619  2.093506       4.015238 
1 1 1 14  1  2  o 178.9776 1.909760  0.5905762      3.819520 
1 1 1 14  1  3  o 218.3311 2.680864  8.745926       5.361728 
1 1 1 14  1  4  o 178.2398 1.909072  0.1215363      3.818145 
1 1 1 14  1  5  o 179.8340 2.328105  1.233734       4.656211 
1 1 1 14  1  6  o 89.57174 1.621825  5.276260       3.243650 
1 1 1 14  1  7  o 128.3287 1.799360  -4.696922      3.598720 
1 1 1 14  1  8  o 31.81578 2.002445  -4.415464      4.004890 
1 1 1 14  1  9  o 95.20258 1.636625  ?              ?        
1 1 1 14  1  10 x ?        ?         ?              ?        
1 1 1 14  1  11 x ?        ?         ?              ?        
1 1 1 14  1  12 x ?        ?         ?              ?        
1 1 1 14  1  13 x ?        ?         ?              ?        
1 1 1 14  1  14 x ?        ?         ?              ?        
1 1 1 14  1  15 x ?        ?         ?              ?        
1 1 1 14  1  16 x ?        ?         ?              ?        
1 1 1 14  1  17 x ?        ?         ?              ?        
1 1 1 14  1  18 x ?        ?         ?              ?        
1 1 1 14  1  19 x ?        ?         ?              ?        
1 1 1 14  1  20 x ?        ?         ?              ?        
1 1 1 14  1  21 x ?        ?         ?              ?        
1 1 1 14  1  22 x ?        ?         ?              ?        
1 1 1 14  1  23 x ?        ?         ?              ?        
1 1 1 14  1  24 x ?        ?         ?              ?        
1 1 1 14  1  25 x ?        ?         ?              ?        
1 1 1 14  1  26 x ?        ?         ?              ?        
1 1 1 14  1  27 x ?        ?         ?              ?        
1 1 1 14  1  28 x ?        ?         ?              ?        
1 1 1 14  2  0  o 89.66568 1.432117  -5.009338      2.864233 
1 1 1 14  2  1  o 182.1234 1.964384  9.700165       3.928768 
1 1 1 14  2  2  o 148.8251 1.736104  1.493698       3.472208 
1 1 1 14  2  3  o 167.3251 2.454065  1.682098       4.908131 
1 1 1 14  2  4  o 270.7963 3.351938  -15.34073      6.703877 
1 1 1 14  2  5  f 101.5887 1.876576  -2.028572      3.753152 
1 1 1 14  2  6  o 127.5941 1.858674  2.473030       3.717348 
1 1 1 14  2  7  f 201.3522 2.542490  4.290726       5.084981 
1 1 1 14  2  8  o 60.52057 1.387620  -5.730728      2.775241 
1 1 1 14  2  9  o 125.8174 1.927534  ?              ?        
1 1 1 14  2  10 f 135.5759 1.998582  ?              ?        
1 1 1 14  2  11 x ?        ?         ?              ?        
1 1 1 14  2  12 x ?        ?         ?              ?        
1 1 1 14  2  13 x ?        ?         ?              ?        
1 1 1 14  2  14 x ?        ?         ?              ?        
1 1 1 14  2  15 x ?        ?         ?              ?        
1 1 1 14  2  16 x ?        ?         ?              ?        
1 1 1 14  2  17 x ?        ?         ?              ?        
1 1 1 14  2  18 x ?        ?         ?              ?        
1 1 1 14  2  19 x ?        ?         ?              ?        
1 1 1 14  2  20 x ?        ?         ?              ?        
1 1 1 14  2  21 x ?        ?         ?              ?        
1 1 1 14  2  22 x ?        ?         ?              ?        
1 1 1 14  2  23 x ?        ?         ?              ?        
1 1 1 14  2  24 x ?        ?         ?              ?        
1 1 1 14  2  25 x ?        ?         ?              ?        
1 1 1 14  2  26 x ?        ?         ?              ?        
1 1 1 14  2  27 x ?        ?         ?              ?        
1 1 1 14  2  28 x ?        ?         ?              ?        
1 1 1 14  3  0  o 180.3196 2.016421  2.162125       4.032842 
1 1 1 14  3  1  o 137.8281 1.763133  -11.07162      3.526267 
1 1 1 14  3  2  o 87.09344 1.617271  -4.776367      3.234542 
1 1 1 14  3  3  o 147.0662 2.195712  ?              ?        
1 1 1 14  3  4  o 276.2192 3.398879  4.200775       6.797759 
1 1 1 14  3  5  o 51.03986 3.738413  ?              ?        
1 1 1 14  3  6  f 84.96939 3.022763  ?              ?        
1 1 1 14  3  7  o 79.33784 1.576185  -3.657310      3.152370 
1 1 1 14  3  8  o 242.3187 2.925630  -1.909195      5.851260 
1 1 1 14  3  9  o 89.12028 1.357574  ?              ?        
1 1 1 14  3  10 o 144.6512 2.265622  ?              ?        
1 1 1 14  3  11 x ?        ?         ?              ?        
1 1 1 14  3  12 o 93.29113 1.648235  ?              ?        
1 1 1 14  3  13 o 142.4620 2.092254  ?              ?        
1 1 1 14  3  14 o 58.81161 1.106126  ?              ?        
1 1 1 14  3  15 x ?        ?         ?              ?        
1 1 1 14  3  16 x ?        ?         ?              ?        
1 1 1 14  3  17 x ?        ?         ?              ?        
1 1 1 14  3  18 x ?        ?         ?              ?        
1 1 1 14  3  19 x ?        ?         ?              ?        
1 1 1 14  3  20 x ?        ?         ?              ?        
1 1 1 14  3  21 x ?        ?         ?              ?        
1 1 1 14  3  22 x ?        ?         ?              ?        
1 1 1 14  3  23 x ?        ?         ?              ?        
1 1 1 14  3  24 x ?        ?         ?              ?        
1 1 1 14  3  25 x ?        ?         ?              ?        
1 1 1 14  3  26 x ?        ?         ?              ?        
1 1 1 14  3  27 x ?        ?         ?              ?        
1 1 1 14  3  28 x ?        ?         ?              ?        
1 1 1 14  4  0  o 153.6328 1.941686  3.154694       3.883372 
1 1 1 14  4  1  o 156.3213 1.955746  10.06013       3.911492 
1 1 1 14  4  2  o 290.9001 3.672140  11.92096       7.344280 
1 1 1 14  4  3  o 269.4781 3.401803  5.822418       6.803607 
1 1 1 14  4  4  o 97.14755 1.931186  ?              ?        
1 1 1 14  4  5  o 117.1541 1.988801  -1.846306      3.977602 
1 1 1 14  4  6  o 143.8512 3.549172  ?              ?        
1 1 1 14  4  7  o 165.4193 2.226781  -7.104141      4.453563 
1 1 1 14  4  8  o 150.9260 2.014805  -8.951828      4.029609 
1 1 1 14  4  9  o 84.43540 1.376170  ?              ?        
1 1 1 14  4  10 o 100.1913 1.662451  ?              ?        
1 1 1 14  4  11 x ?        ?         ?              ?        
1 1 1 14  4  12 o 74.39256 1.956112  ?              ?        
1 1 1 14  4  13 o 66.56471 1.931934  ?              ?        
1 1 1 14  4  14 o 93.95504 1.948620  ?              ?        
1 1 1 14  4  15 o 39.60791 2.188843  ?              ?        
1 1 1 14  4  16 o 31.56324 2.437486  ?              ?        
1 1 1 14  4  17 o 108.0098 1.894794  ?              ?        
1 1 1 14  4  18 o 73.53562 1.971969  ?              ?        
1 1 1 14  4  19 o 64.29729 1.743790  ?              ?        
1 1 1 14  4  20 o 73.32578 1.867267  ?              ?        
1 1 1 14  4  21 o 62.13368 1.853376  ?              ?        
1 1 1 14  4  22 o 71.21054 2.002344  ?              ?        
1 1 1 14  4  23 o 17.84818 4.242747  ?              ?        
1 1 1 14  4  24 o 58.06520 2.263776  ?              ?        
1 1 1 14  4  25 o 36.32582 2.819518  ?              ?        
1 1 1 14  4  26 x ?        ?         ?              ?        
1 1 1 14  4  27 x ?        ?         ?              ?        
1 1 1 14  4  28 x ?        ?         ?              ?        
1 1 1 14  5  0  o 273.4981 3.467303  -7.354767      6.934605 
1 1 1 14  5  1  o 70.36833 2.402498  -2.724533      4.804997 
1 1 1 14  5  2  o 97.26239 2.208333  -5.911819      4.416665 
1 1 1 14  5  3  o 60.23701 2.512250  -3.546307      5.024501 
1 1 1 14  5  4  o 161.1388 2.424495  3.563141       4.848990 
1 1 1 14  5  5  o 235.3179 3.439679  ?              ?        
1 1 1 14  5  6  o 124.0008 2.093240  5.681107       4.186481 
1 1 1 14  5  7  o 136.2503 2.112176  3.816986       4.224353 
1 1 1 14  5  8  o 111.4707 1.884627  0.7702103      3.769255 
1 1 1 14  5  9  o 60.37356 1.916100  ?              ?        
1 1 1 14  5  10 o 9.896273 3.825801  ?              ?        
1 1 1 14  5  11 o 61.99954 1.835072  ?              ?        
1 1 1 14  5  12 o 103.5029 1.345093  ?              ?        
1 1 1 14  5  13 o 49.59458 2.627068  ?              ?        
1 1 1 14  5  14 o 59.23436 3.623831  ?              ?        
1 1 1 14  5  15 x ?        ?         ?              ?        
1 1 1 14  5  16 x ?        ?         ?              ?        
1 1 1 14  5  17 x ?        ?         ?              ?        
1 1 1 14  5  18 x ?        ?         ?              ?        
1 1 1 14  5  19 x ?        ?         ?              ?        
1 1 1 14  5  20 x ?        ?         ?              ?        
1 1 1 14  5  21 x ?        ?         ?              ?        
1 1 1 14  5  22 x ?        ?         ?              ?        
1 1 1 14  5  23 o 55.83685 2.166085  ?              ?        
1 1 1 14  5  24 f 38.91050 2.640826  ?              ?        
1 1 1 14  5  25 o 31.51206 3.135592  ?              ?        
1 1 1 14  5  26 x ?        ?         ?              ?        
1 1 1 14  5  27 x ?        ?         ?              ?        
1 1 1 14  6  0  o 92.44442 2.422708  7.294205       4.845416 
1 1 1 14  6  1  o 150.8602 2.566202  7.421387       5.132404 
1 1 1 14  6  2  o 91.69955 2.338562  -0.2041626E-01 4.677125 
1 1 1 14  6  3  o 33.32263 4.075401  -9.843794      8.150802 
1 1 1 14  6  4  o 77.54332 2.252707  -12.05521      4.505415 
1 1 1 14  6  5  o 158.1892 2.479506  7.344757       4.959012 
1 1 1 14  6  6  o 73.52078 2.134435  9.359901       4.268869 
1 1 1 14  6  7  o 89.33926 2.375998  ?              ?        
1 1 1 14  6  8  o 27.41860 3.525558  ?              ?        
1 1 1 14  6  9  o 35.92225 3.740063  ?              ?        
1 1 1 14  6  10 o 51.31013 2.927760  ?              ?        
1 1 1 14  6  11 o 152.1032 3.360225  ?              ?        
1 1 1 14  6  12 o 53.10897 2.065676  ?              ?        
1 1 1 14  6  13 f 71.67659 1.543554  ?              ?        
1 1 1 14  6  14 o 72.73282 1.371235  ?              ?        
1 1 1 14  6  15 o 125.4674 1.649338  ?              ?        
1 1 1 14  6  16 o 112.6064 3.414317  ?              ?        
1 1 1 14  6  17 o 126.5225 3.536790  ?              ?        
1 1 1 14  6  18 o 41.35494 4.358661  ?              ?        
1 1 1 14  6  19 o 54.84385 3.557140  ?              ?        
1 1 1 14  6  20 o 48.58584 3.324379  ?              ?        
1 1 1 14  6  21 o 54.65063 2.931044  ?              ?        
1 1 1 14  6  22 o 74.19969 2.536809  ?              ?        
1 1 1 14  6  23 o 16.98355 5.235857  ?              ?        
1 1 1 14  6  24 o 21.77873 5.196704  ?              ?        
1 1 1 14  6  25 o 70.33209 2.684103  ?              ?        
1 1 1 14  6  26 x ?        ?         ?              ?        
1 1 1 14  6  27 x ?        ?         ?              ?        
1 1 1 14  7  0  o 94.98717 2.923903  -6.893936      5.847805 
1 1 1 14  7  1  f 58.00801 2.946598  -0.9970055     5.893195 
1 1 1 14  7  2  o 222.1905 3.123233  2.400299       6.246465 
1 1 1 14  7  3  o 91.82677 2.367587  0.5790710E-01  4.735174 
1 1 1 14  7  4  o 57.08541 2.663747  7.584747       5.327494 
1 1 1 14  7  5  o 138.6747 2.410924  -0.1320953     4.821847 
1 1 1 14  7  6  o 170.8684 2.612026  5.019150       5.224051 
1 1 1 14  7  7  o 27.24700 3.745051  -9.107742      7.490102 
1 1 1 14  7  8  o 132.6776 2.609165  ?              ?        
1 1 1 14  7  9  o 50.84249 2.245093  ?              ?        
1 1 1 14  7  10 o 77.01321 3.718584  ?              ?        
1 1 1 14  7  11 o 93.47035 2.941770  ?              ?        
1 1 1 14  7  12 o 29.19636 6.160142  ?              ?        
1 1 1 14  7  13 o 37.80409 2.769412  ?              ?        
1 1 1 14  7  14 o 81.61705 1.815287  ?              ?        
1 1 1 14  7  15 o 32.06224 2.299109  ?              ?        
1 1 1 14  7  16 o 87.55452 1.591843  ?              ?        
1 1 1 14  7  17 o 87.83050 1.468739  ?              ?        
1 1 1 14  7  18 o 80.88136 1.410921  ?              ?        
1 1 1 14  7  19 o 82.54105 1.416971  ?              ?        
1 1 1 14  7  20 o 49.66249 1.629135  ?              ?        
1 1 1 14  7  21 o 38.33145 1.631650  ?              ?        
1 1 1 14  7  22 o 25.66639 1.875174  ?              ?        
1 1 1 14  7  23 o 22.02892 1.930871  ?              ?        
1 1 1 14  7  24 f 37.55334 1.331353  ?              ?        
1 1 1 14  7  25 f 34.13213 4.080885  ?              ?        
1 1 1 14  7  26 x ?        ?         ?              ?        
1 1 1 14  7  27 x ?        ?         ?              ?        
1 1 1 14  8  0  o 210.8597 3.138863  11.93797       6.277725 
1 1 1 14  8  1  o 25.88947 8.174146  ?              ?        
1 1 1 14  8  2  f 114.8332 2.499295  3.162140       4.998589 
1 1 1 14  8  3  o 177.7717 2.784714  2.526581       5.569429 
1 1 1 14  8  4  o 79.35689 2.483165  -2.338013      4.966331 
1 1 1 14  8  5  o 111.4840 2.400265  3.551414       4.800530 
1 1 1 14  8  6  o 107.3645 2.315368  4.572906       4.630737 
1 1 1 14  8  7  o 183.0856 2.732437  3.361389       5.464874 
1 1 1 14  8  8  o 39.43189 4.170054  ?              ?        
1 1 1 14  8  9  o 75.83501 2.543262  ?              ?        
1 1 1 14  8  10 o 53.54324 2.674382  ?              ?        
1 1 1 14  8  11 o 64.82167 3.047424  ?              ?        
1 1 1 14  8  12 o 115.1768 2.538538  ?              ?        
1 1 1 14  8  13 o 101.1633 2.494471  ?              ?        
1 1 1 14  8  14 o 126.2942 2.146436  ?              ?        
1 1 1 14  8  15 o 158.1865 2.295832  ?              ?        
1 1 1 14  8  16 o 62.18496 2.052341  ?              ?        
1 1 1 14  8  17 f 112.6851 2.339231  ?              ?        
1 1 1 14  8  18 o 66.69848 1.919391  ?              ?        
1 1 1 14  8  19 o 15.62537 3.684011  ?              ?        
1 1 1 14  8  20 f 42.16232 1.667428  ?              ?        
1 1 1 14  8  21 o 20.28144 2.893599  ?              ?        
1 1 1 14  8  22 o 72.76108 2.135036  ?              ?        
1 1 1 14  8  23 o 29.81328 1.964105  ?              ?        
1 1 1 14  8  24 o 20.31042 2.538817  ?              ?        
1 1 1 14  8  25 o 27.72108 5.630508  ?              ?        
1 1 1 14  8  26 x ?        ?         ?              ?        
1 1 1 14  8  27 x ?        ?         ?              ?        
1 1 1 14  9  0  f 72.75356 3.160151  ?              ?        
1 1 1 14  9  1  o 136.3803 2.614099  -2.147644      5.228198 
1 1 1 14  9  2  o 70.48942 2.765759  4.760559       5.531517 
1 1 1 14  9  3  o 22.07188 7.798926  ?              ?        
1 1 1 14  9  4  o 127.1346 2.803163  10.14960       5.606325 
1 1 1 14  9  5  o 42.37332 3.104576  14.59934       6.209151 
1 1 1 14  9  6  o 174.7718 3.080074  7.514038       6.160148 
1 1 1 14  9  7  o 47.54565 4.045815  ?              ?        
1 1 1 14  9  8  o 65.68265 3.541033  ?              ?        
1 1 1 14  9  9  o 93.78466 3.416082  ?              ?        
1 1 1 14  9  10 o 49.21238 3.923595  ?              ?        
1 1 1 14  9  11 o 134.8436 3.734781  ?              ?        
1 1 1 14  9  12 o 91.01065 3.383896  ?              ?        
1 1 1 14  9  13 o 67.86235 3.675449  ?              ?        
1 1 1 14  9  14 o 56.73274 3.116877  ?              ?        
1 1 1 14  9  15 o 94.42117 2.265923  ?              ?        
1 1 1 14  9  16 o 126.7707 2.296439  ?              ?        
1 1 1 14  9  17 o 27.94596 3.954726  ?              ?        
1 1 1 14  9  18 o 68.48368 3.663573  ?              ?        
1 1 1 14  9  19 o 120.9375 3.652523  ?              ?        
1 1 1 14  9  20 o 46.94248 3.715649  ?              ?        
1 1 1 14  9  21 o 24.85288 5.394656  ?              ?        
1 1 1 14  9  22 o 39.84022 3.384651  ?              ?        
1 1 1 14  9  23 o 25.52298 2.824497  ?              ?        
1 1 1 14  9  24 o 25.88075 5.645253  ?              ?        
1 1 1 14  9  25 o 19.94118 5.891776  ?              ?        
1 1 1 14  9  26 x ?        ?         ?              ?        
1 1 1 14  10 0  o 73.52306 2.874049  12.85275       5.748097 
1 1 1 14  10 1  o 81.68714 2.827043  17.03510       5.654085 
1 1 1 14  10 2  o 220.1370 3.759400  ?              ?        
1 1 1 14  10 3  o 243.0056 3.422109  -3.645966      6.844218 
1 1 1 14  10 4  o 33.22730 4.153007  17.86765       8.306013 
1 1 1 14  10 5  f 44.90464 3.619849  13.85870       7.239699 
1 1 1 14  10 6  o 51.86190 4.493103  ?              ?        
1 1 1 14  10 7  o 130.2002 3.927639  ?              ?        
1 1 1 14  10 8  f 98.12358 3.709362  ?              ?        
1 1 1 14  10 9  o 96.40076 2.752370  ?              ?        
1 1 1 14  10 10 o 117.0107 2.810743  ?              ?        
1 1 1 14  10 11 o 140.2389 4.021748  ?              ?        
1 1 1 14  10 12 o 134.8399 2.977124  ?              ?        
1 1 1 14  10 13 o 51.00490 3.430192  ?              ?        
1 1 1 14  10 14 o 132.8665 3.011794  ?              ?        
1 1 1 14  10 15 o 78.70618 3.047893  ?              ?        
1 1 1 14  10 16 o 80.81446 2.459728  ?              ?        
1 1 1 14  10 17 o 84.08237 2.332512  ?              ?        
1 1 1 14  10 18 o 11.57912 4.900838  ?              ?        
1 1 1 14  10 19 o 28.81669 3.063107  ?              ?        
1 1 1 14  10 20 o 44.64279 2.158898  ?              ?        
1 1 1 14  10 21 o 49.63968 1.866288  ?              ?        
1 1 1 14  10 22 f 31.56329 3.162566  ?              ?        
1 1 1 14  10 23 o 29.42666 2.807997  ?              ?        
1 1 1 14  10 24 o 10.77228 4.907450  ?              ?        
1 1 1 14  10 25 o 16.09515 5.764122  ?              ?        
1 1 1 14  10 26 x ?        ?         ?              ?        
1 1 1 14  11 0  o 142.4030 2.830601  0.3535767      5.661203 
1 1 1 14  11 1  o 155.6467 2.896876  0.5824280E-01  5.793753 
1 1 1 14  11 2  o 19.47394 4.903096  12.24203       9.806191 
1 1 1 14  11 3  o 34.65786 4.434141  7.022161       8.868282 
1 1 1 14  11 4  o 36.92314 4.305290  -5.058434      8.610580 
1 1 1 14  11 5  o 79.36401 3.959509  ?              ?        
1 1 1 14  11 6  o 64.51330 3.004981  -6.446335      6.009963 
1 1 1 14  11 7  o 77.50612 3.983348  ?              ?        
1 1 1 14  11 8  o 114.6587 4.011930  ?              ?        
1 1 1 14  11 9  f 85.00969 4.251471  ?              ?        
1 1 1 14  11 10 o 106.2440 4.400477  ?              ?        
1 1 1 14  11 11 o 65.65504 4.257206  ?              ?        
1 1 1 14  11 12 o 126.2864 3.086314  ?              ?        
1 1 1 14  11 13 o 68.45551 3.284919  ?              ?        
1 1 1 14  11 14 o 91.23779 3.178013  ?              ?        
1 1 1 14  11 15 o 51.03262 3.885769  ?              ?        
1 1 1 14  11 16 o 30.11131 4.643024  ?              ?        
1 1 1 14  11 17 o 27.59597 4.462063  ?              ?        
1 1 1 14  11 18 o 78.91367 2.342718  ?              ?        
1 1 1 14  11 19 o 71.07504 2.138687  ?              ?        
1 1 1 14  11 20 o 25.13380 3.211993  ?              ?        
1 1 1 14  11 21 o 11.41394 4.327693  ?              ?        
1 1 1 14  11 22 o 71.43754 2.480355  ?              ?        
1 1 1 14  11 23 o 30.03732 2.770920  ?              ?        
1 1 1 14  11 24 o 47.26863 3.389388  ?              ?        
1 1 1 14  11 25 x ?        ?         ?              ?        
1 1 1 14  12 0  o 173.4335 3.017983  -1.788055      6.035966 
1 1 1 14  12 1  o 52.03058 3.327189  -10.19757      6.654378 
1 1 1 14  12 2  o 115.7672 3.010017  3.116760       6.020033 
1 1 1 14  12 3  o 130.8693 3.065339  -6.570969      6.130678 
1 1 1 14  12 4  o 235.7827 3.910858  3.192505       7.821716 
1 1 1 14  12 5  o 57.26423 3.255580  -5.090515      6.511159 
1 1 1 14  12 6  o 139.0578 4.272533  ?              ?        
1 1 1 14  12 7  o 129.1186 4.253229  ?              ?        
1 1 1 14  12 8  o 42.00315 4.125104  ?              ?        
1 1 1 14  12 9  o 42.66417 6.010770  ?              ?        
1 1 1 14  12 10 o 54.73357 3.688739  ?              ?        
1 1 1 14  12 11 o 90.11560 4.090545  ?              ?        
1 1 1 14  12 12 o 32.20498 5.280998  ?              ?        
1 1 1 14  12 13 o 93.24052 3.209778  ?              ?        
1 1 1 14  12 14 o 29.48509 8.842587  ?              ?        
1 1 1 14  12 15 f 18.86485 8.052900  ?              ?        
1 1 1 14  12 16 o 205.9027 5.576129  ?              ?        
1 1 1 14  12 17 o 100.8023 3.246220  ?              ?        
1 1 1 14  12 18 o 38.36102 3.182340  ?              ?        
1 1 1 14  12 19 o 81.21686 2.198348  ?              ?        
1 1 1 14  12 20 o 10.34367 4.364585  ?              ?        
1 1 1 14  12 21 o 41.70307 3.031179  ?              ?        
1 1 1 14  12 22 o 16.32594 4.010344  ?              ?        
1 1 1 14  12 23 o 28.45786 3.005645  ?              ?        
1 1 1 14  12 24 o 31.52557 4.017300  ?              ?        
1 1 1 14  12 25 x ?        ?         ?              ?        
1 1 1 14  13 0  o 83.09908 2.882890  -3.377724      5.765781 
1 1 1 14  13 1  o 150.5398 3.271181  3.489197       6.542361 
1 1 1 14  13 2  o 94.02635 3.062626  -1.883217      6.125252 
1 1 1 14  13 3  o 47.68632 3.912649  2.565376       7.825299 
1 1 1 14  13 4  o 32.40548 4.827384  15.75979       9.654767 
1 1 1 14  13 5  o 145.3090 3.209385  9.797775       6.418770 
1 1 1 14  13 6  o 181.3464 4.844336  ?              ?        
1 1 1 14  13 7  o 104.1758 4.343860  ?              ?        
1 1 1 14  13 8  o 94.97062 3.177650  ?              ?        
1 1 1 14  13 9  o 59.92231 3.649588  ?              ?        
1 1 1 14  13 10 o 75.98284 3.392672  ?              ?        
1 1 1 14  13 11 o 146.2155 4.532942  ?              ?        
1 1 1 14  13 12 f 81.66036 3.496517  ?              ?        
1 1 1 14  13 13 o 57.13280 4.124279  ?              ?        
1 1 1 14  13 14 o 87.04476 3.403227  ?              ?        
1 1 1 14  13 15 o 96.55003 3.340233  ?              ?        
1 1 1 14  13 16 o 70.09374 3.584885  ?              ?        
1 1 1 14  13 17 o 40.61709 4.317717  ?              ?        
1 1 1 14  13 18 o 18.43636 6.408391  ?              ?        
1 1 1 14  13 19 o 55.32574 2.492658  ?              ?        
1 1 1 14  13 20 o 74.62569 2.198325  ?              ?        
1 1 1 14  13 21 o 21.99762 3.535201  ?              ?        
1 1 1 14  13 22 o 24.25187 2.937511  ?              ?        
1 1 1 14  13 23 x ?        ?         ?              ?        
1 1 1 14  13 24 x ?        ?         ?              ?        
1 1 1 14  14 0  o 98.11291 3.295771  -1.722275      6.591542 
1 1 1 14  14 1  o 41.93578 6.491413  ?              ?        
1 1 1 14  14 2  o 147.4332 3.336393  2.625565       6.672785 
1 1 1 14  14 3  o 74.70132 3.349981  -2.072769      6.699962 
1 1 1 14  14 4  o 154.7858 3.345112  -0.3477936     6.690224 
1 1 1 14  14 5  o 126.1611 4.574346  ?              ?        
1 1 1 14  14 6  o 120.6681 4.569345  ?              ?        
1 1 1 14  14 7  o 88.73026 4.645916  ?              ?        
1 1 1 14  14 8  o 59.58440 3.874495  ?              ?        
1 1 1 14  14 9  o 61.71544 3.794690  ?              ?        
1 1 1 14  14 10 o 26.75613 6.876534  ?              ?        
1 1 1 14  14 11 o 83.05067 4.762597  ?              ?        
1 1 1 14  14 12 o 164.6560 4.886858  ?              ?        
1 1 1 14  14 13 o 68.87253 4.971987  ?              ?        
1 1 1 14  14 14 o 112.4876 4.582758  ?              ?        
1 1 1 14  14 15 o 61.81806 5.194917  ?              ?        
1 1 1 14  14 16 o 84.54806 3.426726  ?              ?        
1 1 1 14  14 17 o 15.48311 6.284634  ?              ?        
1 1 1 14  14 18 o 26.48793 4.224218  ?              ?        
1 1 1 14  14 19 o 26.62245 3.808892  ?              ?        
1 1 1 14  14 20 o 33.37068 3.152628  ?              ?        
1 1 1 14  14 21 o 24.11057 3.142592  ?              ?        
1 1 1 14  14 22 o 29.35028 2.796119  ?              ?        
1 1 1 14  14 23 o 22.71091 5.341385  ?              ?        
1 1 1 14  15 0  o 51.56358 5.636824  ?              ?        
1 1 1 14  15 1  o 176.5020 3.714815  4.965805       7.429630 
1 1 1 14  15 2  o 112.6627 3.327149  -5.588875      6.654299 
1 1 1 14  15 3  o 33.44538 5.287148  4.477671       10.57430 
1 1 1 14  15 4  o 56.12811 5.690991  ?              ?        
1 1 1 14  15 5  x ?        ?         ?              ?        
1 1 1 14  15 6  o 32.55595 8.177369  ?              ?        
1 1 1 14  15 7  o 118.1988 4.829925  ?              ?        
1 1 1 14  15 8  o 24.79843 6.994424  ?              ?        
1 1 1 14  15 9  o 38.39057 5.519889  ?              ?        
1 1 1 14  15 10 o 47.30104 5.039600  ?              ?        
1 1 1 14  15 11 o 101.1699 4.891008  ?              ?        
1 1 1 14  15 12 o 43.25216 5.379019  ?              ?        
1 1 1 14  15 13 o 44.22070 4.776057  ?              ?        
1 1 1 14  15 14 o 19.31718 7.040571  ?              ?        
1 1 1 14  15 15 f 65.36226 3.725705  ?              ?        
1 1 1 14  15 16 o 48.55568 4.234066  ?              ?        
1 1 1 14  15 17 o 13.59230 5.760778  ?              ?        
1 1 1 14  15 18 o 59.62723 3.292844  ?              ?        
1 1 1 14  15 19 o 11.77785 4.922158  ?              ?        
1 1 1 14  15 20 o 29.08678 3.114377  ?              ?        
1 1 1 14  15 21 o 47.70809 2.329904  ?              ?        
1 1 1 14  15 22 o 22.28290 3.669564  ?              ?        
1 1 1 14  15 23 o 31.89544 5.194062  ?              ?        
1 1 1 14  16 0  o 92.58092 3.495721  21.07632       6.991443 
1 1 1 14  16 1  o 25.21695 5.273842  21.55212       10.54768 
1 1 1 14  16 2  o 118.7737 3.467765  3.141548       6.935531 
1 1 1 14  16 3  o 20.23811 5.780832  -3.867165      11.56166 
1 1 1 14  16 4  o 106.5876 4.869005  ?              ?        
1 1 1 14  16 5  o 44.45029 7.190167  ?              ?        
1 1 1 14  16 6  o 27.08909 8.860172  ?              ?        
1 1 1 14  16 7  o 28.34908 7.265277  ?              ?        
1 1 1 14  16 8  o 48.17313 7.475763  ?              ?        
1 1 1 14  16 9  o 99.53669 5.379060  ?              ?        
1 1 1 14  16 10 o 80.08166 6.088563  ?              ?        
1 1 1 14  16 11 o 47.56451 7.785331  ?              ?        
1 1 1 14  16 12 o 51.81290 4.774497  ?              ?        
1 1 1 14  16 13 o 79.31229 3.700266  ?              ?        
1 1 1 14  16 14 o 24.55532 6.575435  ?              ?        
1 1 1 14  16 15 o 53.85400 3.979329  ?              ?        
1 1 1 14  16 16 o 48.32803 3.920399  ?              ?        
1 1 1 14  16 17 o 47.31694 3.580120  ?              ?        
1 1 1 14  16 18 o 43.07376 3.574159  ?              ?        
1 1 1 14  16 19 o 18.58745 4.450561  ?              ?        
1 1 1 14  16 20 f 40.90477 2.582052  ?              ?        
1 1 1 14  16 21 o 11.05701 4.429241  ?              ?        
1 1 1 14  16 22 o 30.78507 3.013285  ?              ?        
1 1 1 14  17 0  o 79.23306 3.866917  1.196518       7.733834 
1 1 1 14  17 1  o 184.8047 3.850019  9.764969       7.700037 
1 1 1 14  17 2  o 108.0591 3.578857  1.220062       7.157714 
1 1 1 14  17 3  o 45.12897 5.090250  -13.69118      10.18050 
1 1 1 14  17 4  o 81.56664 5.350755  ?              ?        
1 1 1 14  17 5  o 80.42594 5.343665  ?              ?        
1 1 1 14  17 6  o 60.34029 6.391979  ?              ?        
1 1 1 14  17 7  o 54.47570 4.649309  ?              ?        
1 1 1 14  17 8  o 128.8880 3.691803  ?              ?        
1 1 1 14  17 9  o 90.98978 3.906064  ?              ?        
1 1 1 14  17 10 o 93.44271 3.878240  ?              ?        
1 1 1 14  17 11 o 21.87353 7.564151  ?              ?        
1 1 1 14  17 12 o 28.97552 6.891397  ?              ?        
1 1 1 14  17 13 x ?        ?         ?              ?        
1 1 1 14  17 14 o 27.01717 6.329949  ?              ?        
1 1 1 14  17 15 x ?        ?         ?              ?        
1 1 1 14  17 16 o 33.62283 4.442901  ?              ?        
1 1 1 14  17 17 o 66.81940 3.061662  ?              ?        
1 1 1 14  17 18 o 12.09928 4.845447  ?              ?        
1 1 1 14  17 19 o 22.94445 4.484839  ?              ?        
1 1 1 14  17 20 o 10.37717 4.376991  ?              ?        
1 1 1 14  17 21 o 44.85093 2.536547  ?              ?        
1 1 1 14  18 0  o 65.43799 4.248427  0.7734146      8.496855 
1 1 1 14  18 1  o 27.99199 6.392609  -10.57679      12.78522 
1 1 1 14  18 2  o 35.87283 6.371797  3.458874       12.74359 
1 1 1 14  18 3  o 102.2628 5.443111  ?              ?        
1 1 1 14  18 4  o 93.49850 5.467735  ?              ?        
1 1 1 14  18 5  o 40.63200 9.063512  ?              ?        
1 1 1 14  18 6  o 81.77977 3.926027  ?              ?        
1 1 1 14  18 7  o 72.40630 4.111504  ?              ?        
1 1 1 14  18 8  o 68.33534 4.325589  ?              ?        
1 1 1 14  18 9  o 50.95485 4.966940  ?              ?        
1 1 1 14  18 10 o 62.97911 4.365888  ?              ?        
1 1 1 14  18 11 o 36.47517 5.480498  ?              ?        
1 1 1 14  18 12 o 26.45467 6.623446  ?              ?        
1 1 1 14  18 13 o 18.57563 6.520306  ?              ?        
1 1 1 14  18 14 o 39.67801 4.427384  ?              ?        
1 1 1 14  18 15 o 27.07776 5.327694  ?              ?        
1 1 1 14  18 16 o 52.51514 3.672887  ?              ?        
1 1 1 14  18 17 o 26.66392 5.647017  ?              ?        
1 1 1 14  18 18 o 12.79466 5.401868  ?              ?        
1 1 1 14  18 19 o 10.28888 4.770662  ?              ?        
1 1 1 14  18 20 o 31.73824 3.978830  ?              ?        
1 1 1 14  19 0  o 99.14693 5.312119  ?              ?        
1 1 1 14  19 1  f 80.18437 5.593003  ?              ?        
1 1 1 14  19 2  o 38.49777 8.983044  ?              ?        
1 1 1 14  19 3  o 52.53411 7.088835  ?              ?        
1 1 1 14  19 4  o 54.80936 7.135360  ?              ?        
1 1 1 14  19 5  o 42.35358 8.375760  ?              ?        
1 1 1 14  19 6  o 147.1780 3.822339  ?              ?        
1 1 1 14  19 7  o 66.07874 4.385099  ?              ?        
1 1 1 14  19 8  f 32.99518 6.771127  ?              ?        
1 1 1 14  19 9  f 52.41932 4.597594  ?              ?        
1 1 1 14  19 10 o 23.25144 7.375455  ?              ?        
1 1 1 14  19 11 o 30.34305 5.986145  ?              ?        
1 1 1 14  19 12 f 21.17975 6.713495  ?              ?        
1 1 1 14  19 13 o 51.15434 3.931057  ?              ?        
1 1 1 14  19 14 o 11.21707 5.149781  ?              ?        
1 1 1 14  19 15 o 13.97283 5.447380  ?              ?        
1 1 1 14  19 16 o 16.72837 5.582287  ?              ?        
1 1 1 14  19 17 o 24.64442 4.621668  ?              ?        
1 1 1 14  19 18 o 28.59383 4.088171  ?              ?        
1 1 1 14  19 19 o 12.52080 5.003300  ?              ?        
1 1 1 14  20 0  o 39.99541 8.523639  ?              ?        
1 1 1 14  20 1  o 31.35877 9.596894  ?              ?        
1 1 1 14  20 2  o 65.50956 6.258389  ?              ?        
1 1 1 14  20 3  o 62.59444 6.171394  ?              ?        
1 1 1 14  20 4  o 28.06322 9.572355  ?              ?        
1 1 1 14  20 5  o 59.28704 6.767774  ?              ?        
1 1 1 14  20 6  o 61.70924 6.662804  ?              ?        
1 1 1 14  20 7  o 92.63418 5.582698  ?              ?        
1 1 1 14  20 8  f 47.14729 4.965593  ?              ?        
1 1 1 14  20 9  o 88.97743 3.696168  ?              ?        
1 1 1 14  20 10 o 54.91435 4.012998  ?              ?        
1 1 1 14  20 11 o 40.55160 4.601124  ?              ?        
1 1 1 14  20 12 o 37.80623 4.377042  ?              ?        
1 1 1 14  20 13 o 17.37689 6.144466  ?              ?        
1 1 1 14  20 14 o 39.87509 3.583753  ?              ?        
1 1 1 14  20 15 o 28.68862 4.242723  ?              ?        
1 1 1 14  20 16 o 12.23936 4.905517  ?              ?        
1 1 1 14  20 17 o 14.27488 5.177872  ?              ?        
1 1 1 14  20 18 o 16.20245 5.449863  ?              ?        
1 1 1 14  21 0  o 85.80621 3.932642  0.7593613      7.865285 
1 1 1 14  21 1  o 61.07728 6.431958  ?              ?        
1 1 1 14  21 2  o 35.63391 8.895848  ?              ?        
1 1 1 14  21 3  o 16.69274 7.608665  ?              ?        
1 1 1 14  21 4  o 31.93850 9.378654  ?              ?        
1 1 1 14  21 5  o 23.46952 7.593160  ?              ?        
1 1 1 14  21 6  f 53.20286 4.620981  ?              ?        
1 1 1 14  21 7  o 22.42912 6.939689  ?              ?        
1 1 1 14  21 8  o 45.73777 4.602643  ?              ?        
1 1 1 14  21 9  o 16.36261 6.391770  ?              ?        
1 1 1 14  21 10 o 27.98826 5.212796  ?              ?        
1 1 1 14  21 11 o 42.83778 4.078376  ?              ?        
1 1 1 14  21 12 o 12.46927 5.150323  ?              ?        
1 1 1 14  21 13 o 19.98835 5.594599  ?              ?        
1 1 1 14  21 14 o 31.52303 3.821224  ?              ?        
1 1 1 14  21 15 o 11.81795 5.421688  ?              ?        
1 1 1 14  21 16 o 21.37820 6.819878  ?              ?        
1 1 1 14  22 0  o 67.33259 5.986031  ?              ?        
1 1 1 14  22 1  o 57.05819 6.790498  ?              ?        
1 1 1 14  22 2  o 42.88698 7.868450  ?              ?        
1 1 1 14  22 3  f 29.03735 8.403699  ?              ?        
1 1 1 14  22 4  o 26.81082 6.872895  ?              ?        
1 1 1 14  22 5  o 35.19262 6.304217  ?              ?        
1 1 1 14  22 6  o 30.05098 6.322114  ?              ?        
1 1 1 14  22 7  o 10.54203 5.019283  ?              ?        
1 1 1 14  22 8  o 26.22786 5.721377  ?              ?        
1 1 1 14  22 9  o 10.30963 4.814162  ?              ?        
1 1 1 14  22 10 o 12.24520 5.220079  ?              ?        
1 1 1 14  22 11 o 13.86802 5.429906  ?              ?        
1 1 1 14  22 12 o 7.908144 3.853326  ?              ?        
1 1 1 14  22 13 o 41.36148 3.510288  ?              ?        
1 1 1 14  22 14 f 14.27163 5.271411  ?              ?        
1 1 1 14  22 15 o 37.50616 3.597593  ?              ?        
1 1 1 14  23 0  o 19.54867 7.613371  ?              ?        
1 1 1 14  23 1  o 36.02155 7.742291  ?              ?        
1 1 1 14  23 2  o 16.86767 7.279325  ?              ?        
1 1 1 14  23 3  o 27.13811 7.748415  ?              ?        
1 1 1 14  23 4  o 34.33349 5.015735  ?              ?        
1 1 1 14  23 5  o 65.50190 3.468835  ?              ?        
1 1 1 14  23 6  o 14.06281 6.363480  ?              ?        
1 1 1 14  23 7  o 12.63686 5.276131  ?              ?        
1 1 1 14  23 8  o 22.20742 5.496381  ?              ?        
1 1 1 14  23 9  f 25.74073 4.931318  ?              ?        
1 1 1 14  23 10 o 16.01725 6.007304  ?              ?        
1 1 1 14  23 11 o 11.74690 5.049391  ?              ?        
1 1 1 14  23 12 o 40.80745 3.544080  ?              ?        
1 1 1 14  23 13 o 7.788369 3.775738  ?              ?        
1 1 1 14  24 0  o 19.76812 7.442263  ?              ?        
1 1 1 14  24 1  o 14.97421 6.412235  ?              ?        
1 1 1 14  24 2  o 28.79865 7.585153  ?              ?        
1 1 1 14  24 3  o 19.62697 7.579233  ?              ?        
1 1 1 14  24 4  f 21.81332 7.683935  ?              ?        
1 1 1 14  24 5  o 11.16068 5.024586  ?              ?        
1 1 1 14  24 6  o 10.54516 4.727753  ?              ?        
1 1 1 14  24 7  o 22.63683 5.156631  ?              ?        
1 1 1 14  24 8  o 18.10846 5.773563  ?              ?        
1 1 1 14  24 9  o 15.47119 5.632618  ?              ?        
1 1 1 14  24 10 o 17.88667 5.776027  ?              ?        
1 1 1 14  24 11 o 19.74152 5.566649  ?              ?        
1 1 1 14  25 0  o 17.08726 6.484142  ?              ?        
1 1 1 14  25 1  o 14.79304 5.970093  ?              ?        
1 1 1 14  25 2  o 16.66162 6.373497  ?              ?        
1 1 1 14  25 3  f 17.79013 5.712173  ?              ?        
1 1 1 14  25 4  o 19.14773 5.910950  ?              ?        
1 1 1 14  25 5  o 16.09109 5.669517  ?              ?        
1 1 1 14  25 6  o 8.980955 4.265105  ?              ?        
1 1 1 14  25 7  o 12.40056 5.186998  ?              ?        
1 1 1 14  25 8  o 16.19522 5.620940  ?              ?        
1 1 1 14  26 0  o 10.97397 5.198653  ?              ?        
1 1 1 14  26 1  o 13.58366 5.959585  ?              ?        
1 1 1 14  26 2  o 10.04141 4.611978  ?              ?        
1 1 1 14  26 3  o 32.57154 4.282392  ?              ?        
1 1 1 14  26 4  o 8.617737 4.131783  ?              ?        
1 1 1 14  26 5  o 10.43174 5.035029  ?              ?        
1 1 1 14  27 0  o 21.53271 6.971694  ?              ?        
1 1 1 15  0  0  o 94.81667 2.048054  -0.000000      0.000000 
1 1 1 15  0  1  o 281.8354 3.932511  -0.000000      0.000000 
1 1 1 15  0  2  o 228.3413 3.297975  -0.000000      0.000000 
1 1 1 15  0  3  o 38.63454 2.914117  -0.000000      0.000000 
1 1 1 15  0  4  o 69.59222 2.094024  -0.000000      0.000000 
1 1 1 15  0  5  o 51.99324 2.222217  -0.000000      0.000000 
1 1 1 15  0  6  o 15.36427 5.815620  -0.000000      0.000000 
1 1 1 15  0  7  o 74.54145 2.507051  -0.000000      0.000000 
1 1 1 15  0  8  o 164.2794 3.459453  -0.000000      0.000000 
1 1 1 15  0  9  o 115.2809 2.611879  -0.000000      0.000000 
1 1 1 15  0  10 x ?        ?         ?              ?        
1 1 1 15  0  11 x ?        ?         ?              ?        
1 1 1 15  0  12 x ?        ?         ?              ?        
1 1 1 15  0  13 x ?        ?         ?              ?        
1 1 1 15  0  14 x ?        ?         ?              ?        
1 1 1 15  0  15 x ?        ?         ?              ?        
1 1 1 15  0  16 x ?        ?         ?              ?        
1 1 1 15  0  17 x ?        ?         ?              ?        
1 1 1 15  0  18 x ?        ?         ?              ?        
1 1 1 15  0  19 x ?        ?         ?              ?        
1 1 1 15  0  20 x ?        ?         ?              ?        
1 1 1 15  0  21 x ?        ?         ?              ?        
1 1 1 15  0  22 x ?        ?         ?              ?        
1 1 1 15  0  23 x ?        ?         ?              ?        
1 1 1 15  0  24 x ?        ?         ?              ?        
1 1 1 15  0  25 x ?        ?         ?              ?        
1 1 1 15  0  26 x ?        ?         ?              ?        
1 1 1 15  0  27 x ?        ?         ?              ?        
1 1 1 15  1  0  o 139.7654 1.657649  -4.621170      3.315298 
1 1 1 15  1  1  o 221.7805 2.286138  -1.238449      4.572276 
1 1 1 15  1  2  o 108.7204 1.517841  -5.040749      3.035682 
1 1 1 15  1  3  o 181.8504 1.982605  4.160126       3.965210 
1 1 1 15  1  4  o 186.5384 2.410415  7.178558       4.820829 
1 1 1 15  1  5  o 62.13014 1.648266  1.458019       3.296532 
1 1 1 15  1  6  o 71.66994 1.651797  -2.777870      3.303594 
1 1 1 15  1  7  o 142.1103 2.029861  3.385040       4.059722 
1 1 1 15  1  8  o 86.17671 1.687754  -7.855385      3.375508 
1 1 1 15  1  9  o 28.96707 2.724262  ?              ?        
1 1 1 15  1  10 x ?        ?         ?              ?        
1 1 1 15  1  11 x ?        ?         ?              ?        
1 1 1 15  1  12 x ?        ?         ?              ?        
1 1 1 15  1  13 x ?        ?         ?              ?        
1 1 1 15  1  14 x ?        ?         ?              ?        
1 1 1 15  1  15 x ?        ?         ?              ?        
1 1 1 15  1  16 x ?        ?         ?              ?        
1 1 1 15  1  17 x ?        ?         ?              ?        
1 1 1 15  1  18 x ?        ?         ?              ?        
1 1 1 15  1  19 x ?        ?         ?              ?        
1 1 1 15  1  20 x ?        ?         ?              ?        
1 1 1 15  1  21 x ?        ?         ?              ?        
1 1 1 15  1  22 x ?        ?         ?              ?        
1 1 1 15  1  23 x ?        ?         ?              ?        
1 1 1 15  1  24 x ?        ?         ?              ?        
1 1 1 15  1  25 x ?        ?         ?              ?        
1 1 1 15  1  26 x ?        ?         ?              ?        
1 1 1 15  1  27 x ?        ?         ?              ?        
1 1 1 15  2  0  o 122.7870 1.608173  4.729836       3.216345 
1 1 1 15  2  1  o 195.2368 2.097176  16.77725       4.194351 
1 1 1 15  2  2  o 94.63576 1.542533  -4.438713      3.085067 
1 1 1 15  2  3  o 93.15235 1.505310  -1.290955      3.010621 
1 1 1 15  2  4  o 187.8409 2.029079  4.939835       4.058158 
1 1 1 15  2  5  o 82.72146 1.680059  -4.635208      3.360118 
1 1 1 15  2  6  o 217.0313 2.729301  0.6850586      5.458602 
1 1 1 15  2  7  o 103.0313 1.652817  -6.088310      3.305633 
1 1 1 15  2  8  o 62.36425 1.422277  4.155647       2.844553 
1 1 1 15  2  9  o 122.7204 2.525193  ?              ?        
1 1 1 15  2  10 o 91.22842 1.621142  ?              ?        
1 1 1 15  2  11 o 74.03234 1.339970  ?              ?        
1 1 1 15  2  12 x ?        ?         ?              ?        
1 1 1 15  2  13 x ?        ?         ?              ?        
1 1 1 15  2  14 x ?        ?         ?              ?        
1 1 1 15  2  15 x ?        ?         ?              ?        
1 1 1 15  2  16 x ?        ?         ?              ?        
1 1 1 15  2  17 x ?        ?         ?              ?        
1 1 1 15  2  18 x ?        ?         ?              ?        
1 1 1 15  2  19 x ?        ?         ?              ?        
1 1 1 15  2  20 x ?        ?         ?              ?        
1 1 1 15  2  21 x ?        ?         ?              ?        
1 1 1 15  2  22 x ?        ?         ?              ?        
1 1 1 15  2  23 x ?        ?         ?              ?        
1 1 1 15  2  24 x ?        ?         ?              ?        
1 1 1 15  2  25 x ?        ?         ?              ?        
1 1 1 15  2  26 x ?        ?         ?              ?        
1 1 1 15  2  27 x ?        ?         ?              ?        
1 1 1 15  3  0  f 74.89639 1.701305  -6.024467      3.402610 
1 1 1 15  3  1  o 215.0240 2.289381  0.7555237      4.578762 
1 1 1 15  3  2  o 80.67721 1.654649  -2.669220      3.309297 
1 1 1 15  3  3  o 113.5455 3.455582  ?              ?        
1 1 1 15  3  4  o 183.4013 2.578194  ?              ?        
1 1 1 15  3  5  o 86.88805 1.752921  4.660362       3.505842 
1 1 1 15  3  6  o 125.4208 3.319770  ?              ?        
1 1 1 15  3  7  o 75.79938 1.595767  -8.133827      3.191534 
1 1 1 15  3  8  o 85.17522 1.522410  -3.379242      3.044819 
1 1 1 15  3  9  o 105.5270 2.330173  ?              ?        
1 1 1 15  3  10 f 112.3966 1.849720  ?              ?        
1 1 1 15  3  11 o 61.34192 1.420624  ?              ?        
1 1 1 15  3  12 o 93.96162 1.560033  ?              ?        
1 1 1 15  3  13 o 55.02310 1.117093  ?              ?        
1 1 1 15  3  14 x ?        ?         ?              ?        
1 1 1 15  3  15 x ?        ?         ?              ?        
1 1 1 15  3  16 x ?        ?         ?              ?        
1 1 1 15  3  17 x ?        ?         ?              ?        
1 1 1 15  3  18 x ?        ?         ?              ?        
1 1 1 15  3  19 x ?        ?         ?              ?        
1 1 1 15  3  20 x ?        ?         ?              ?        
1 1 1 15  3  21 x ?        ?         ?              ?        
1 1 1 15  3  22 x ?        ?         ?              ?        
1 1 1 15  3  23 x ?        ?         ?              ?        
1 1 1 15  3  24 x ?        ?         ?              ?        
1 1 1 15  3  25 x ?        ?         ?              ?        
1 1 1 15  3  26 x ?        ?         ?              ?        
1 1 1 15  3  27 x ?        ?         ?              ?        
1 1 1 15  4  0  o 182.4280 2.131223  0.7330780      4.262446 
1 1 1 15  4  1  o 70.04814 1.910024  -7.607300      3.820049 
1 1 1 15  4  2  o 94.76561 2.116159  -3.366508      4.232317 
1 1 1 15  4  3  o 302.3448 3.758579  5.122192       7.517157 
1 1 1 15  4  4  o 213.9198 2.799033  -0.2238312     5.598066 
1 1 1 15  4  5  o 145.8488 2.224596  ?              ?        
1 1 1 15  4  6  o 88.46416 1.837995  -2.140747      3.675990 
1 1 1 15  4  7  o 15.04011 5.957074  ?              ?        
1 1 1 15  4  8  o 72.44620 2.813038  ?              ?        
1 1 1 15  4  9  o 200.4618 4.182461  ?              ?        
1 1 1 15  4  10 o 52.62886 1.332841  ?              ?        
1 1 1 15  4  11 o 92.29933 1.962587  ?              ?        
1 1 1 15  4  12 o 37.38945 2.238745  ?              ?        
1 1 1 15  4  13 o 74.42032 1.768625  ?              ?        
1 1 1 15  4  14 o 99.81464 1.822850  ?              ?        
1 1 1 15  4  15 o 34.39227 2.131830  ?              ?        
1 1 1 15  4  16 o 73.75168 1.513396  ?              ?        
1 1 1 15  4  17 o 126.8626 1.883415  ?              ?        
1 1 1 15  4  18 o 73.94656 1.666592  ?              ?        
1 1 1 15  4  19 x ?        ?         ?              ?        
1 1 1 15  4  20 x ?        ?         ?              ?        
1 1 1 15  4  21 x ?        ?         ?              ?        
1 1 1 15  4  22 x ?        ?         ?              ?        
1 1 1 15  4  23 x ?        ?         ?              ?        
1 1 1 15  4  24 x ?        ?         ?              ?        
1 1 1 15  4  25 x ?        ?         ?              ?        
1 1 1 15  4  26 x ?        ?         ?              ?        
1 1 1 15  4  27 x ?        ?         ?              ?        
1 1 1 15  5  0  o 150.2070 2.443761  3.342911       4.887521 
1 1 1 15  5  1  o 156.0036 2.482052  -3.447632      4.964105 
1 1 1 15  5  2  o 25.12686 4.359592  11.88547       8.719185 
1 1 1 15  5  3  o 293.1409 3.692724  2.453857       7.385448 
1 1 1 15  5  4  o 179.4194 2.563414  -3.286026      5.126829 
1 1 1 15  5  5  o 122.8286 2.178927  3.206352       4.357854 
1 1 1 15  5  6  o 119.2011 2.150193  ?              ?        
1 1 1 15  5  7  o 70.94608 1.870893  -2.478546      3.741785 
1 1 1 15  5  8  o 82.01896 2.121433  3.096848       4.242865 
1 1 1 15  5  9  x ?        ?         ?              ?        
1 1 1 15  5  10 o 57.19824 1.611819  ?              ?        
1 1 1 15  5  11 o 109.9431 1.623991  ?              ?        
1 1 1 15  5  12 f 67.59660 1.042380  ?              ?        
1 1 1 15  5  13 o 56.39592 2.416117  ?              ?        
1 1 1 15  5  14 o 94.75070 3.211348  ?              ?        
1 1 1 15  5  15 f 58.27202 2.417196  ?              ?        
1 1 1 15  5  16 o 130.4734 2.395298  ?              ?        
1 1 1 15  5  17 o 42.50996 2.756819  ?              ?        
1 1 1 15  5  18 o 99.07978 2.115516  ?              ?        
1 1 1 15  5  19 o 60.46885 2.332886  ?              ?        
1 1 1 15  5  20 o 32.01933 2.552487  ?              ?        
1 1 1 15  5  21 o 37.98467 2.182482  ?              ?        
1 1 1 15  5  22 f 43.38132 1.999892  ?              ?        
1 1 1 15  5  23 o 34.17704 2.274328  ?              ?        
1 1 1 15  5  24 o 60.23244 2.273970  ?              ?        
1 1 1 15  5  25 x ?        ?         ?              ?        
1 1 1 15  5  26 x ?        ?         ?              ?        
1 1 1 15  5  27 x ?        ?         ?              ?        
1 1 1 15  6  0  o 189.9872 2.780331  -0.7388763     5.560663 
1 1 1 15  6  1  o 80.55170 2.470532  -7.522537      4.941063 
1 1 1 15  6  2  o 125.7866 2.377266  -3.550354      4.754532 
1 1 1 15  6  3  o 187.7306 2.710113  -2.346390      5.420227 
1 1 1 15  6  4  o 147.2885 2.479583  8.574951       4.959166 
1 1 1 15  6  5  o 75.22427 2.210158  1.194878       4.420316 
1 1 1 15  6  6  o 64.76436 2.217617  4.131920       4.435233 
1 1 1 15  6  7  o 67.92008 2.154203  ?              ?        
1 1 1 15  6  8  o 65.29721 1.918227  -1.244286      3.836454 
1 1 1 15  6  9  o 62.84499 2.132289  ?              ?        
1 1 1 15  6  10 o 159.9799 2.195736  ?              ?        
1 1 1 15  6  11 f 61.75640 1.738373  ?              ?        
1 1 1 15  6  12 o 53.33950 1.733351  ?              ?        
1 1 1 15  6  13 o 46.82525 1.498369  ?              ?        
1 1 1 15  6  14 o 81.03592 1.233466  ?              ?        
1 1 1 15  6  15 o 92.14262 3.392266  ?              ?        
1 1 1 15  6  16 o 85.25040 3.397792  ?              ?        
1 1 1 15  6  17 o 29.92573 5.847538  ?              ?        
1 1 1 15  6  18 o 18.11665 6.504261  ?              ?        
1 1 1 15  6  19 o 45.40279 3.389388  ?              ?        
1 1 1 15  6  20 o 96.87550 2.793633  ?              ?        
1 1 1 15  6  21 o 29.34382 3.663481  ?              ?        
1 1 1 15  6  22 o 19.41810 5.004354  ?              ?        
1 1 1 15  6  23 o 30.25326 3.399268  ?              ?        
1 1 1 15  6  24 o 65.01073 2.597806  ?              ?        
1 1 1 15  6  25 x ?        ?         ?              ?        
1 1 1 15  6  26 x ?        ?         ?              ?        
1 1 1 15  7  0  o 183.8860 3.214390  4.191467       6.428780 
1 1 1 15  7  1  o 145.4123 2.564952  1.350159       5.129904 
1 1 1 15  7  2  o 247.1071 3.356130  4.015671       6.712260 
1 1 1 15  7  3  o 89.32554 2.367333  2.695770       4.734667 
1 1 1 15  7  4  o 47.76084 2.987174  -16.86052      5.974347 
1 1 1 15  7  5  o 243.7205 3.286895  4.727921       6.573789 
1 1 1 15  7  6  o 77.57807 2.221848  -2.591904      4.443696 
1 1 1 15  7  7  o 90.66187 2.141085  8.362656       4.282169 
1 1 1 15  7  8  o 110.9169 2.458436  ?              ?        
1 1 1 15  7  9  o 16.83521 5.195438  ?              ?        
1 1 1 15  7  10 o 47.77905 2.617344  ?              ?        
1 1 1 15  7  11 o 43.60696 2.382470  ?              ?        
1 1 1 15  7  12 o 38.72090 3.937304  ?              ?        
1 1 1 15  7  13 o 29.41031 3.277606  ?              ?        
1 1 1 15  7  14 o 66.17501 1.735041  ?              ?        
1 1 1 15  7  15 o 82.61629 1.580212  ?              ?        
1 1 1 15  7  16 o 42.08236 1.418996  ?              ?        
1 1 1 15  7  17 o 119.8152 1.631274  ?              ?        
1 1 1 15  7  18 o 43.75723 4.436012  ?              ?        
1 1 1 15  7  19 o 66.25050 3.477829  ?              ?        
1 1 1 15  7  20 o 65.88178 3.165369  ?              ?        
1 1 1 15  7  21 o 17.02614 5.650317  ?              ?        
1 1 1 15  7  22 o 97.45532 2.863266  ?              ?        
1 1 1 15  7  23 o 45.34790 3.124346  ?              ?        
1 1 1 15  7  24 o 13.27754 5.469597  ?              ?        
1 1 1 15  7  25 x ?        ?         ?              ?        
1 1 1 15  7  26 x ?        ?         ?              ?        
1 1 1 15  8  0  o 67.70879 2.736769  -4.215340      5.473539 
1 1 1 15  8  1  o 66.79343 2.739877  2.818954       5.479753 
1 1 1 15  8  2  o 99.26453 4.124987  ?              ?        
1 1 1 15  8  3  o 42.80532 3.273219  -3.696037      6.546437 
1 1 1 15  8  4  o 17.31783 6.949978  ?              ?        
1 1 1 15  8  5  o 54.54243 2.675577  -3.181053      5.351155 
1 1 1 15  8  6  f 105.6147 2.291743  8.799767       4.583486 
1 1 1 15  8  7  o 160.1053 2.553418  1.199020       5.106835 
1 1 1 15  8  8  o 19.17240 5.782320  ?              ?        
1 1 1 15  8  9  o 66.07957 2.703823  ?              ?        
1 1 1 15  8  10 o 154.3737 3.780675  ?              ?        
1 1 1 15  8  11 o 100.8043 2.475599  ?              ?        
1 1 1 15  8  12 o 88.22615 2.437472  ?              ?        
1 1 1 15  8  13 o 81.22453 2.466652  ?              ?        
1 1 1 15  8  14 o 123.6827 2.099357  ?              ?        
1 1 1 15  8  15 o 97.72872 2.551455  ?              ?        
1 1 1 15  8  16 o 10.82892 4.497661  ?              ?        
1 1 1 15  8  17 o 57.64315 1.728720  ?              ?        
1 1 1 15  8  18 o 54.48801 1.547910  ?              ?        
1 1 1 15  8  19 o 21.09840 2.288260  ?              ?        
1 1 1 15  8  20 o 37.21498 1.560953  ?              ?        
1 1 1 15  8  21 o 32.06532 1.522990  ?              ?        
1 1 1 15  8  22 o 34.58750 1.381620  ?              ?        
1 1 1 15  8  23 f 26.83687 4.985767  ?              ?        
1 1 1 15  8  24 x ?        ?         ?              ?        
1 1 1 15  8  25 x ?        ?         ?              ?        
1 1 1 15  8  26 x ?        ?         ?              ?        
1 1 1 15  9  0  o 75.58513 2.819817  -10.43656      5.639634 
1 1 1 15  9  1  o 178.8254 3.243337  ?              ?        
1 1 1 15  9  2  f 126.1226 2.585899  2.146004       5.171797 
1 1 1 15  9  3  o 113.2926 2.548174  0.7209244      5.096348 
1 1 1 15  9  4  o 58.04670 4.544970  ?              ?        
1 1 1 15  9  5  o 76.14511 2.785138  -0.4991226     5.570277 
1 1 1 15  9  6  o 85.31508 2.403102  1.439003       4.806203 
1 1 1 15  9  7  o 64.98389 2.472561  -10.61892      4.945122 
1 1 1 15  9  8  o 72.64233 3.498685  ?              ?        
1 1 1 15  9  9  o 112.7800 2.665364  ?              ?        
1 1 1 15  9  10 o 36.01451 4.328241  ?              ?        
1 1 1 15  9  11 o 81.56512 3.327491  ?              ?        
1 1 1 15  9  12 o 123.4400 3.586546  ?              ?        
1 1 1 15  9  13 o 20.06130 6.321185  ?              ?        
1 1 1 15  9  14 o 139.0686 2.838500  ?              ?        
1 1 1 15  9  15 o 92.19314 2.729513  ?              ?        
1 1 1 15  9  16 o 100.5492 2.727940  ?              ?        
1 1 1 15  9  17 o 40.99548 2.588871  ?              ?        
1 1 1 15  9  18 f 73.30801 1.857966  ?              ?        
1 1 1 15  9  19 o 53.28731 1.734050  ?              ?        
1 1 1 15  9  20 x ?        ?         ?              ?        
1 1 1 15  9  21 x ?        ?         ?              ?        
1 1 1 15  9  22 f 53.76569 2.043966  ?              ?        
1 1 1 15  9  23 o 31.19909 4.263423  ?              ?        
1 1 1 15  9  24 x ?        ?         ?              ?        
1 1 1 15  9  25 x ?        ?         ?              ?        
1 1 1 15  10 0  o 90.45863 2.693512  1.035957       5.387023 
1 1 1 15  10 1  o 74.49448 2.768598  -4.437439      5.537196 
1 1 1 15  10 2  o 69.74840 2.760630  -6.802704      5.521259 
1 1 1 15  10 3  o 70.45529 3.156465  ?              ?        
1 1 1 15  10 4  o 24.02484 4.738453  7.682964       9.476906 
1 1 1 15  10 5  o 123.1338 2.530145  -3.498314      5.060291 
1 1 1 15  10 6  o 60.01231 3.554321  -14.57896      7.108642 
1 1 1 15  10 7  o 73.70313 3.837171  ?              ?        
1 1 1 15  10 8  x ?        ?         ?              ?        
1 1 1 15  10 9  o 65.26246 2.940133  ?              ?        
1 1 1 15  10 10 o 51.87314 3.312907  ?              ?        
1 1 1 15  10 11 o 105.5757 2.889412  ?              ?        
1 1 1 15  10 12 o 130.8209 3.017771  ?              ?        
1 1 1 15  10 13 o 126.6114 2.947577  ?              ?        
1 1 1 15  10 14 o 85.08772 2.889224  ?              ?        
1 1 1 15  10 15 o 50.64967 3.703785  ?              ?        
1 1 1 15  10 16 o 113.5771 2.369950  ?              ?        
1 1 1 15  10 17 o 64.52843 2.360106  ?              ?        
1 1 1 15  10 18 o 22.10656 4.224075  ?              ?        
1 1 1 15  10 19 o 49.16311 2.058085  ?              ?        
1 1 1 15  10 20 o 46.35078 1.920589  ?              ?        
1 1 1 15  10 21 o 24.87099 2.481566  ?              ?        
1 1 1 15  10 22 o 21.41092 3.161048  ?              ?        
1 1 1 15  10 23 o 17.07697 5.537510  ?              ?        
1 1 1 15  10 24 x ?        ?         ?              ?        
1 1 1 15  10 25 x ?        ?         ?              ?        
1 1 1 15  11 0  o 148.3102 2.874610  4.219940       5.749220 
1 1 1 15  11 1  o 55.89468 3.117156  -1.476147      6.234312 
1 1 1 15  11 2  o 21.23885 5.108927  0.8944778      10.21785 
1 1 1 15  11 3  o 50.09390 3.198417  4.221931       6.396833 
1 1 1 15  11 4  o 77.81653 2.635915  -9.790398      5.271830 
1 1 1 15  11 5  o 73.82858 3.983324  ?              ?        
1 1 1 15  11 6  o 69.25372 3.958827  ?              ?        
1 1 1 15  11 7  o 53.50218 4.363383  ?              ?        
1 1 1 15  11 8  x ?        ?         ?              ?        
1 1 1 15  11 9  o 116.6201 4.404239  ?              ?        
1 1 1 15  11 10 o 34.84777 6.779264  ?              ?        
1 1 1 15  11 11 o 89.76321 3.149346  ?              ?        
1 1 1 15  11 12 o 72.50839 3.268654  ?              ?        
1 1 1 15  11 13 o 89.14657 3.132043  ?              ?        
1 1 1 15  11 14 x ?        ?         ?              ?        
1 1 1 15  11 15 o 88.89339 3.103148  ?              ?        
1 1 1 15  11 16 o 74.90276 2.551689  ?              ?        
1 1 1 15  11 17 o 78.71630 2.375012  ?              ?        
1 1 1 15  11 18 o 52.68118 2.416146  ?              ?        
1 1 1 15  11 19 o 87.00703 1.961276  ?              ?        
1 1 1 15  11 20 o 13.42030 4.374868  ?              ?        
1 1 1 15  11 21 o 7.890279 3.515420  ?              ?        
1 1 1 15  11 22 o 30.26177 2.842686  ?              ?        
1 1 1 15  11 23 o 46.90718 3.269665  ?              ?        
1 1 1 15  11 24 x ?        ?         ?              ?        
1 1 1 15  12 0  o 42.46922 3.739527  3.710445       7.479054 
1 1 1 15  12 1  f 152.8369 2.905425  3.120529       5.810850 
1 1 1 15  12 2  o 53.71306 3.176656  -7.034775      6.353312 
1 1 1 15  12 3  o 208.0768 3.298120  7.931122       6.596240 
1 1 1 15  12 4  o 118.0071 2.993545  0.6697464      5.987090 
1 1 1 15  12 5  o 30.51817 4.966755  6.268436       9.933511 
1 1 1 15  12 6  o 88.35851 3.005764  -9.811150      6.011528 
1 1 1 15  12 7  o 61.98783 4.550777  ?              ?        
1 1 1 15  12 8  f 15.21744 6.740641  ?              ?        
1 1 1 15  12 9  o 28.33471 5.843729  ?              ?        
1 1 1 15  12 10 o 51.07407 3.912862  ?              ?        
1 1 1 15  12 11 o 87.52291 3.275090  ?              ?        
1 1 1 15  12 12 o 26.71378 6.541453  ?              ?        
1 1 1 15  12 13 o 47.08119 4.498244  ?              ?        
1 1 1 15  12 14 f 88.14524 5.060108  ?              ?        
1 1 1 15  12 15 o 80.87914 5.054821  ?              ?        
1 1 1 15  12 16 o 51.92192 3.845143  ?              ?        
1 1 1 15  12 17 o 36.18970 3.499090  ?              ?        
1 1 1 15  12 18 o 53.96424 2.462384  ?              ?        
1 1 1 15  12 19 o 25.30244 3.396887  ?              ?        
1 1 1 15  12 20 o 39.66305 2.225093  ?              ?        
1 1 1 15  12 21 o 15.35489 3.939502  ?              ?        
1 1 1 15  12 22 o 22.80964 2.923194  ?              ?        
1 1 1 15  12 23 o 24.90419 4.755344  ?              ?        
1 1 1 15  12 24 x ?        ?         ?              ?        
1 1 1 15  13 0  f 112.6051 2.899956  -7.411171      5.799913 
1 1 1 15  13 1  o 96.49211 2.915725  6.481758       5.831450 
1 1 1 15  13 2  o 138.1732 2.948711  10.84741       5.897422 
1 1 1 15  13 3  o 50.92584 3.987687  -17.74808      7.975374 
1 1 1 15  13 4  o 134.5027 3.270601  -8.751495      6.541201 
1 1 1 15  13 5  o 55.34264 3.646277  1.452694       7.292553 
1 1 1 15  13 6  o 79.92635 4.435406  ?              ?        
1 1 1 15  13 7  o 59.71332 4.818155  ?              ?        
1 1 1 15  13 8  o 122.3070 4.429302  ?              ?        
1 1 1 15  13 9  o 21.19293 6.915843  ?              ?        
1 1 1 15  13 10 o 50.60752 4.197735  ?              ?        
1 1 1 15  13 11 o 17.80949 7.082386  ?              ?        
1 1 1 15  13 12 o 52.28434 4.250745  ?              ?        
1 1 1 15  13 13 o 114.1139 3.361933  ?              ?        
1 1 1 15  13 14 o 129.3908 3.326467  ?              ?        
1 1 1 15  13 15 x ?        ?         ?              ?        
1 1 1 15  13 16 o 33.52234 5.098260  ?              ?        
1 1 1 15  13 17 o 37.53162 4.405655  ?              ?        
1 1 1 15  13 18 o 43.52283 2.923620  ?              ?        
1 1 1 15  13 19 o 74.44136 2.091850  ?              ?        
1 1 1 15  13 20 o 49.70935 2.196148  ?              ?        
1 1 1 15  13 21 o 29.80714 2.546540  ?              ?        
1 1 1 15  13 22 o 24.78617 4.883539  ?              ?        
1 1 1 15  13 23 o 14.97556 5.404966  ?              ?        
1 1 1 15  14 0  o 61.18611 3.513964  -0.8428955E-01 7.027927 
1 1 1 15  14 1  o 123.6516 3.033418  1.210938       6.066837 
1 1 1 15  14 2  o 30.87684 7.808605  ?              ?        
1 1 1 15  14 3  o 43.79102 4.257954  1.074024       8.515907 
1 1 1 15  14 4  o 63.59803 3.542151  6.222565       7.084302 
1 1 1 15  14 5  o 43.18807 4.521995  10.68645       9.043989 
1 1 1 15  14 6  o 71.67550 4.976988  ?              ?        
1 1 1 15  14 7  o 106.0411 4.756042  ?              ?        
1 1 1 15  14 8  o 127.7985 3.361138  ?              ?        
1 1 1 15  14 9  o 39.65540 5.299334  ?              ?        
1 1 1 15  14 10 o 55.53377 4.337282  ?              ?        
1 1 1 15  14 11 o 166.8055 3.635245  ?              ?        
1 1 1 15  14 12 o 70.61404 3.896966  ?              ?        
1 1 1 15  14 13 o 27.92700 8.521126  ?              ?        
1 1 1 15  14 14 o 112.0941 4.665642  ?              ?        
1 1 1 15  14 15 o 28.23193 7.770314  ?              ?        
1 1 1 15  14 16 o 27.10212 7.446583  ?              ?        
1 1 1 15  14 17 o 63.61440 3.359642  ?              ?        
1 1 1 15  14 18 o 11.31422 4.765539  ?              ?        
1 1 1 15  14 19 o 36.12253 2.885364  ?              ?        
1 1 1 15  14 20 o 26.68893 3.256176  ?              ?        
1 1 1 15  14 21 o 31.32810 2.479927  ?              ?        
1 1 1 15  14 22 o 9.764991 4.496719  ?              ?        
1 1 1 15  15 0  o 53.66034 3.960479  -6.774033      7.920959 
1 1 1 15  15 1  o 38.12802 7.638371  ?              ?        
1 1 1 15  15 2  o 104.3360 3.401575  -7.882965      6.803150 
1 1 1 15  15 3  o 74.88698 3.586779  3.864029       7.173557 
1 1 1 15  15 4  o 73.86395 3.550786  4.686264       7.101572 
1 1 1 15  15 5  x ?        ?         ?              ?        
1 1 1 15  15 6  x ?        ?         ?              ?        
1 1 1 15  15 7  x ?        ?         ?              ?        
1 1 1 15  15 8  o 43.01619 5.215677  ?              ?        
1 1 1 15  15 9  f 96.45985 3.654167  ?              ?        
1 1 1 15  15 10 f 114.6426 3.587123  ?              ?        
1 1 1 15  15 11 f 29.39788 7.253457  ?              ?        
1 1 1 15  15 12 o 70.56989 3.877076  ?              ?        
1 1 1 15  15 13 o 54.62614 4.394878  ?              ?        
1 1 1 15  15 14 o 62.37914 3.840589  ?              ?        
1 1 1 15  15 15 o 41.38456 4.681539  ?              ?        
1 1 1 15  15 16 o 60.23030 3.480375  ?              ?        
1 1 1 15  15 17 o 36.51754 3.839623  ?              ?        
1 1 1 15  15 18 o 28.79294 4.250340  ?              ?        
1 1 1 15  15 19 o 17.81738 4.652131  ?              ?        
1 1 1 15  15 20 o 13.30317 4.583081  ?              ?        
1 1 1 15  15 21 o 7.997003 3.698054  ?              ?        
1 1 1 15  15 22 o 23.36203 6.093528  ?              ?        
1 1 1 15  16 0  o 77.82860 3.776317  0.4500961      7.552633 
1 1 1 15  16 1  o 77.46655 3.843796  2.194283       7.687592 
1 1 1 15  16 2  o 23.27723 6.070222  -4.173258      12.14044 
1 1 1 15  16 3  o 76.59710 3.753374  11.97368       7.506749 
1 1 1 15  16 4  o 121.0044 4.927187  ?              ?        
1 1 1 15  16 5  f 37.19883 8.417755  ?              ?        
1 1 1 15  16 6  o 23.61854 9.011057  ?              ?        
1 1 1 15  16 7  f 19.66880 8.468742  ?              ?        
1 1 1 15  16 8  o 51.64556 4.740168  ?              ?        
1 1 1 15  16 9  o 36.28798 6.603342  ?              ?        
1 1 1 15  16 10 o 48.83757 7.575974  ?              ?        
1 1 1 15  16 11 o 36.58343 9.130762  ?              ?        
1 1 1 15  16 12 o 42.78750 5.164432  ?              ?        
1 1 1 15  16 13 o 71.44304 3.686023  ?              ?        
1 1 1 15  16 14 o 62.30871 3.625252  ?              ?        
1 1 1 15  16 15 o 63.63142 3.522293  ?              ?        
1 1 1 15  16 16 o 60.97855 3.203743  ?              ?        
1 1 1 15  16 17 o 27.74368 4.291661  ?              ?        
1 1 1 15  16 18 o 17.83888 5.076454  ?              ?        
1 1 1 15  16 19 o 34.20886 2.760189  ?              ?        
1 1 1 15  16 20 o 13.81011 4.590689  ?              ?        
1 1 1 15  16 21 o 13.44197 5.710138  ?              ?        
1 1 1 15  17 0  o 39.71444 5.518179  12.77224       11.03636 
1 1 1 15  17 1  o 121.0115 3.672522  1.272316       7.345044 
1 1 1 15  17 2  o 38.12478 6.132146  11.31332       12.26429 
1 1 1 15  17 3  o 79.43202 3.906966  1.102669       7.813933 
1 1 1 15  17 4  o 103.9650 5.075585  ?              ?        
1 1 1 15  17 5  o 87.83423 5.430974  ?              ?        
1 1 1 15  17 6  o 92.09399 5.420145  ?              ?        
1 1 1 15  17 7  o 36.35105 6.598599  ?              ?        
1 1 1 15  17 8  o 17.25622 7.125036  ?              ?        
1 1 1 15  17 9  o 42.49839 5.343175  ?              ?        
1 1 1 15  17 10 o 31.40357 7.025002  ?              ?        
1 1 1 15  17 11 o 52.26249 4.341611  ?              ?        
1 1 1 15  17 12 o 84.39632 3.639277  ?              ?        
1 1 1 15  17 13 o 16.04901 6.267059  ?              ?        
1 1 1 15  17 14 o 37.23380 4.572828  ?              ?        
1 1 1 15  17 15 o 14.03471 5.530602  ?              ?        
1 1 1 15  17 16 o 30.03418 4.326266  ?              ?        
1 1 1 15  17 17 o 25.31580 4.534066  ?              ?        
1 1 1 15  17 18 o 29.48241 5.834583  ?              ?        
1 1 1 15  17 19 o 9.055948 4.430814  ?              ?        
1 1 1 15  17 20 f 31.00061 4.090255  ?              ?        
1 1 1 15  18 0  o 92.37253 3.877511  6.652565       7.755022 
1 1 1 15  18 1  o 54.46193 4.868502  -8.626232      9.737004 
1 1 1 15  18 2  o 70.19540 4.265850  0.6051254      8.531699 
1 1 1 15  18 3  o 64.23632 6.122311  ?              ?        
1 1 1 15  18 4  o 29.88486 9.357237  ?              ?        
1 1 1 15  18 5  o 13.47114 6.558778  ?              ?        
1 1 1 15  18 6  o 54.27745 6.889238  ?              ?        
1 1 1 15  18 7  o 26.79559 9.021348  ?              ?        
1 1 1 15  18 8  o 29.45291 9.163148  ?              ?        
1 1 1 15  18 9  o 75.01727 4.085425  ?              ?        
1 1 1 15  18 10 o 18.96881 7.240699  ?              ?        
1 1 1 15  18 11 o 39.28215 5.221793  ?              ?        
1 1 1 15  18 12 o 42.66575 4.315375  ?              ?        
1 1 1 15  18 13 o 19.64208 6.456814  ?              ?        
1 1 1 15  18 14 o 16.61400 5.891472  ?              ?        
1 1 1 15  18 15 o 32.49123 4.255679  ?              ?        
1 1 1 15  18 16 o 10.86762 5.022266  ?              ?        
1 1 1 15  18 17 o 16.81104 5.876539  ?              ?        
1 1 1 15  18 18 o 23.08619 5.729391  ?              ?        
1 1 1 15  18 19 o 22.71329 6.033339  ?              ?        
1 1 1 15  19 0  o 81.69135 4.075075  -18.64736      8.150150 
1 1 1 15  19 1  o 29.41598 9.335499  ?              ?        
1 1 1 15  19 2  o 137.9080 5.466630  ?              ?        
1 1 1 15  19 3  o 48.76939 7.055848  ?              ?        
1 1 1 15  19 4  o 67.84071 6.048658  ?              ?        
1 1 1 15  19 5  o 72.08993 5.575970  ?              ?        
1 1 1 15  19 6  o 13.55933 6.617743  ?              ?        
1 1 1 15  19 7  o 15.35746 6.784701  ?              ?        
1 1 1 15  19 8  x ?        ?         ?              ?        
1 1 1 15  19 9  o 52.06215 4.556981  ?              ?        
1 1 1 15  19 10 o 35.28002 5.205122  ?              ?        
1 1 1 15  19 11 o 25.84081 6.282015  ?              ?        
1 1 1 15  19 12 o 50.51693 3.657825  ?              ?        
1 1 1 15  19 13 o 30.28266 4.727009  ?              ?        
1 1 1 15  19 14 o 34.65340 3.691309  ?              ?        
1 1 1 15  19 15 o 17.73328 5.606433  ?              ?        
1 1 1 15  19 16 o 14.21226 5.197476  ?              ?        
1 1 1 15  19 17 o 14.24348 5.191067  ?              ?        
1 1 1 15  19 18 o 10.72170 4.687271  ?              ?        
1 1 1 15  20 0  o 40.70042 5.878914  -9.376648      11.75783 
1 1 1 15  20 1  o 85.36124 5.696749  ?              ?        
1 1 1 15  20 2  o 53.00711 6.728477  ?              ?        
1 1 1 15  20 3  o 67.41956 6.160126  ?              ?        
1 1 1 15  20 4  o 69.77563 5.724860  ?              ?        
1 1 1 15  20 5  f 25.09829 8.672390  ?              ?        
1 1 1 15  20 6  o 21.01451 8.558501  ?              ?        
1 1 1 15  20 7  o 25.21440 8.955754  ?              ?        
1 1 1 15  20 8  o 38.88368 5.184259  ?              ?        
1 1 1 15  20 9  o 39.58965 5.108340  ?              ?        
1 1 1 15  20 10 o 27.84776 5.586308  ?              ?        
1 1 1 15  20 11 o 55.43287 3.482373  ?              ?        
1 1 1 15  20 12 o 39.92693 3.668313  ?              ?        
1 1 1 15  20 13 o 62.37370 3.016456  ?              ?        
1 1 1 15  20 14 o 16.04108 5.410724  ?              ?        
1 1 1 15  20 15 o 11.11161 4.783452  ?              ?        
1 1 1 15  20 16 o 9.507627 4.312083  ?              ?        
1 1 1 15  20 17 o 13.49884 5.102487  ?              ?        
1 1 1 15  21 0  o 59.05546 4.361419  -3.686501      8.722837 
1 1 1 15  21 1  o 26.94835 8.699875  ?              ?        
1 1 1 15  21 2  o 38.72149 8.402325  ?              ?        
1 1 1 15  21 3  o 38.38559 8.434639  ?              ?        
1 1 1 15  21 4  o 23.15928 8.531838  ?              ?        
1 1 1 15  21 5  o 61.61368 4.253295  ?              ?        
1 1 1 15  21 6  o 36.24089 5.770864  ?              ?        
1 1 1 15  21 7  o 19.31646 6.791576  ?              ?        
1 1 1 15  21 8  f 13.32044 5.614426  ?              ?        
1 1 1 15  21 9  o 16.13734 6.433308  ?              ?        
1 1 1 15  21 10 o 41.06777 3.736547  ?              ?        
1 1 1 15  21 11 o 12.07797 4.983418  ?              ?        
1 1 1 15  21 12 o 42.20469 3.496792  ?              ?        
1 1 1 15  21 13 o 12.55855 5.092603  ?              ?        
1 1 1 15  21 14 o 23.18088 6.756804  ?              ?        
1 1 1 15  21 15 o 16.93415 6.665287  ?              ?        
1 1 1 15  22 0  o 19.88614 8.015658  ?              ?        
1 1 1 15  22 1  o 86.39563 5.119988  ?              ?        
1 1 1 15  22 2  o 21.10914 8.008951  ?              ?        
1 1 1 15  22 3  f 41.90374 6.969666  ?              ?        
1 1 1 15  22 4  o 12.25046 5.885086  ?              ?        
1 1 1 15  22 5  o 15.37867 6.917166  ?              ?        
1 1 1 15  22 6  o 26.24163 5.412928  ?              ?        
1 1 1 15  22 7  o 20.29783 6.079602  ?              ?        
1 1 1 15  22 8  o 18.88301 5.698391  ?              ?        
1 1 1 15  22 9  f 14.65347 6.051356  ?              ?        
1 1 1 15  22 10 f 24.35398 5.073674  ?              ?        
1 1 1 15  22 11 o 21.40207 5.541471  ?              ?        
1 1 1 15  22 12 o 26.00657 4.905724  ?              ?        
1 1 1 15  22 13 o 24.82494 4.722433  ?              ?        
1 1 1 15  23 0  f 26.87563 7.919775  ?              ?        
1 1 1 15  23 1  o 31.01527 7.486533  ?              ?        
1 1 1 15  23 2  o 14.65351 6.492807  ?              ?        
1 1 1 15  23 3  f 43.36052 5.634790  ?              ?        
1 1 1 15  23 4  o 33.41193 4.866824  ?              ?        
1 1 1 15  23 5  o 38.68110 4.005399  ?              ?        
1 1 1 15  23 6  o 37.03242 3.862688  ?              ?        
1 1 1 15  23 7  o 19.66475 5.696837  ?              ?        
1 1 1 15  23 8  o 13.53546 5.273551  ?              ?        
1 1 1 15  23 9  o 18.90151 5.418278  ?              ?        
1 1 1 15  23 10 o 8.850952 4.237126  ?              ?        
1 1 1 15  23 11 o 22.19333 5.322718  ?              ?        
1 1 1 15  23 12 o 8.091386 3.910689  ?              ?        
1 1 1 15  24 0  o 46.56660 5.081829  ?              ?        
1 1 1 15  24 1  o 23.05316 6.923104  ?              ?        
1 1 1 15  24 2  o 15.27252 6.249480  ?              ?        
1 1 1 15  24 3  o 10.43073 4.928252  ?              ?        
1 1 1 15  24 4  o 34.57342 7.360361  ?              ?        
1 1 1 15  24 5  o 18.96171 7.044777  ?              ?        
1 1 1 15  24 6  o 23.20216 5.198634  ?              ?        
1 1 1 15  24 7  o 14.81305 5.543115  ?              ?        
1 1 1 15  24 8  o 15.56937 5.542102  ?              ?        
1 1 1 15  24 9  o 30.70096 4.158959  ?              ?        
1 1 1 15  25 0  o 26.97674 7.004161  ?              ?        
1 1 1 15  25 1  o 16.64308 6.703473  ?              ?        
1 1 1 15  25 2  o 26.46697 6.709891  ?              ?        
1 1 1 15  25 3  o 28.45351 4.689474  ?              ?        
1 1 1 15  25 4  o 13.71325 6.077203  ?              ?        
1 1 1 15  25 5  f 13.26322 5.350013  ?              ?        
1 1 1 15  25 6  o 19.63301 5.513011  ?              ?        
1 1 1 15  25 7  o 8.450468 4.084212  ?              ?        
1 1 1 15  26 0  o 9.347077 4.552055  ?              ?        
1 1 1 15  26 1  o 16.74642 6.448692  ?              ?        
1 1 1 15  26 2  o 23.17850 7.017264  ?              ?        
1 1 1 15  26 3  o 8.670985 4.273161  ?              ?        
1 1 1 16  0  0  x ?        ?         ?              ?        
1 1 1 16  0  1  o 108.8088 2.196753  -0.000000      0.000000 
1 1 1 16  0  2  o 147.6306 2.490068  -0.000000      0.000000 
1 1 1 16  0  3  o 90.68839 2.103938  -0.000000      0.000000 
1 1 1 16  0  4  o 45.37412 4.277384  -0.000000      0.000000 
1 1 1 16  0  5  o 54.70364 2.202175  -0.000000      0.000000 
1 1 1 16  0  6  o 30.30190 3.948176  -0.000000      0.000000 
1 1 1 16  0  7  o 82.88021 2.623887  -0.000000      0.000000 
1 1 1 16  0  8  o 120.8756 2.954768  -0.000000      0.000000 
1 1 1 16  0  9  o 141.5780 3.077943  -0.000000      0.000000 
1 1 1 16  0  10 x ?        ?         ?              ?        
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 x ?        ?         ?              ?        
1 1 1 16  0  15 x ?        ?         ?              ?        
1 1 1 16  0  16 x ?        ?         ?              ?        
1 1 1 16  0  17 x ?        ?         ?              ?        
1 1 1 16  0  18 x ?        ?         ?              ?        
1 1 1 16  0  19 x ?        ?         ?              ?        
1 1 1 16  0  20 x ?        ?         ?              ?        
1 1 1 16  0  21 x ?        ?         ?              ?        
1 1 1 16  0  22 x ?        ?         ?              ?        
1 1 1 16  0  23 x ?        ?         ?              ?        
1 1 1 16  0  24 x ?        ?         ?              ?        
1 1 1 16  0  25 x ?        ?         ?              ?        
1 1 1 16  0  26 x ?        ?         ?              ?        
1 1 1 16  1  0  o 75.13177 1.846235  ?              ?        
1 1 1 16  1  1  o 22.46495 3.429328  -3.145754      6.858656 
1 1 1 16  1  2  o 118.2129 1.577774  2.309319       3.155549 
1 1 1 16  1  3  o 99.85580 1.523280  -2.760048      3.046561 
1 1 1 16  1  4  o 132.2182 2.176657  -13.55892      4.353314 
1 1 1 16  1  5  o 48.11604 1.992970  3.425625       3.985940 
1 1 1 16  1  6  f 172.1636 2.621286  -7.048019      5.242572 
1 1 1 16  1  7  o 52.43270 1.743021  1.580780       3.486042 
1 1 1 16  1  8  o 117.2901 2.744881  ?              ?        
1 1 1 16  1  9  o 83.27843 1.614603  1.498337       3.229205 
1 1 1 16  1  10 o 154.5795 2.245729  ?              ?        
1 1 1 16  1  11 x ?        ?         ?              ?        
1 1 1 16  1  12 x ?        ?         ?              ?        
1 1 1 16  1  13 x ?        ?         ?              ?        
1 1 1 16  1  14 x ?        ?         ?              ?        
1 1 1 16  1  15 x ?        ?         ?              ?        
1 1 1 16  1  16 x ?        ?         ?              ?        
1 1 1 16  1  17 x ?        ?         ?              ?        
1 1 1 16  1  18 x ?        ?         ?              ?        
1 1 1 16  1  19 x ?        ?         ?              ?        
1 1 1 16  1  20 x ?        ?         ?              ?        
1 1 1 16  1  21 x ?        ?         ?              ?        
1 1 1 16  1  22 x ?        ?         ?              ?        
1 1 1 16  1  23 x ?        ?         ?              ?        
1 1 1 16  1  24 x ?        ?         ?              ?        
1 1 1 16  1  25 x ?        ?         ?              ?        
1 1 1 16  1  26 x ?        ?         ?              ?        
1 1 1 16  2  0  o 94.45147 1.572665  -5.885971      3.145331 
1 1 1 16  2  1  o 68.50302 1.654581  0.5360413      3.309161 
1 1 1 16  2  2  o 237.0298 2.445543  -6.309738      4.891085 
1 1 1 16  2  3  o 113.6376 1.571743  -0.1890335     3.143487 
1 1 1 16  2  4  o 124.1426 2.291948  6.746124       4.583896 
1 1 1 16  2  5  o 36.38665 2.458676  -3.413170      4.917353 
1 1 1 16  2  6  o 84.52080 1.819637  -5.904076      3.639274 
1 1 1 16  2  7  o 79.45202 2.882092  ?              ?        
1 1 1 16  2  8  o 151.9295 3.070830  ?              ?        
1 1 1 16  2  9  o 106.3065 1.725371  3.385391       3.450743 
1 1 1 16  2  10 o 58.10544 1.529258  ?              ?        
1 1 1 16  2  11 o 80.84785 1.461975  ?              ?        
1 1 1 16  2  12 x ?        ?         ?              ?        
1 1 1 16  2  13 x ?        ?         ?              ?        
1 1 1 16  2  14 x ?        ?         ?              ?        
1 1 1 16  2  15 x ?        ?         ?              ?        
1 1 1 16  2  16 x ?        ?         ?              ?        
1 1 1 16  2  17 x ?        ?         ?              ?        
1 1 1 16  2  18 x ?        ?         ?              ?        
1 1 1 16  2  19 x ?        ?         ?              ?        
1 1 1 16  2  20 x ?        ?         ?              ?        
1 1 1 16  2  21 x ?        ?         ?              ?        
1 1 1 16  2  22 x ?        ?         ?              ?        
1 1 1 16  2  23 x ?        ?         ?              ?        
1 1 1 16  2  24 x ?        ?         ?              ?        
1 1 1 16  2  25 x ?        ?         ?              ?        
1 1 1 16  2  26 x ?        ?         ?              ?        
1 1 1 16  3  0  o 112.9522 1.693014  -9.930641      3.386028 
1 1 1 16  3  1  o 146.2738 1.823279  -9.151062      3.646557 
1 1 1 16  3  2  o 120.5573 1.688172  3.576118       3.376344 
1 1 1 16  3  3  o 143.1861 1.776177  -11.20767      3.552354 
1 1 1 16  3  4  o 80.65965 1.866492  6.384071       3.732983 
1 1 1 16  3  5  o 78.17423 1.472993  ?              ?        
1 1 1 16  3  6  f 67.92525 1.888219  -2.983246      3.776439 
1 1 1 16  3  7  o 84.50272 1.674804  1.255608       3.349608 
1 1 1 16  3  8  o 108.2398 1.766867  ?              ?        
1 1 1 16  3  9  o 100.7978 1.519331  -3.341484      3.038662 
1 1 1 16  3  10 o 128.0827 2.003533  ?              ?        
1 1 1 16  3  11 x ?        ?         ?              ?        
1 1 1 16  3  12 o 45.81011 1.255180  ?              ?        
1 1 1 16  3  13 x ?        ?         ?              ?        
1 1 1 16  3  14 x ?        ?         ?              ?        
1 1 1 16  3  15 x ?        ?         ?              ?        
1 1 1 16  3  16 x ?        ?         ?              ?        
1 1 1 16  3  17 x ?        ?         ?              ?        
1 1 1 16  3  18 x ?        ?         ?              ?        
1 1 1 16  3  19 x ?        ?         ?              ?        
1 1 1 16  3  20 x ?        ?         ?              ?        
1 1 1 16  3  21 x ?        ?         ?              ?        
1 1 1 16  3  22 x ?        ?         ?              ?        
1 1 1 16  3  23 x ?        ?         ?              ?        
1 1 1 16  3  24 x ?        ?         ?              ?        
1 1 1 16  3  25 x ?        ?         ?              ?        
1 1 1 16  3  26 x ?        ?         ?              ?        
1 1 1 16  4  0  o 76.96040 2.240993  -0.1269531E-01 4.481987 
1 1 1 16  4  1  o 61.01011 2.009007  -2.760723      4.018014 
1 1 1 16  4  2  o 79.93558 2.289137  3.758156       4.578273 
1 1 1 16  4  3  o 203.0268 2.728492  -3.881073      5.456983 
1 1 1 16  4  4  o 67.82275 3.706307  ?              ?        
1 1 1 16  4  5  o 147.5984 2.342064  9.559113       4.684128 
1 1 1 16  4  6  o 87.52135 1.824602  6.708679       3.649204 
1 1 1 16  4  7  o 56.40327 2.047005  -0.7247696     4.094011 
1 1 1 16  4  8  o 64.47499 1.669741  -2.726738      3.339483 
1 1 1 16  4  9  o 131.0056 1.984444  ?              ?        
1 1 1 16  4  10 o 63.71524 1.314879  ?              ?        
1 1 1 16  4  11 o 73.40131 2.309835  ?              ?        
1 1 1 16  4  12 o 83.07210 1.821676  ?              ?        
1 1 1 16  4  13 o 58.28823 1.632048  ?              ?        
1 1 1 16  4  14 o 13.70892 3.498507  ?              ?        
1 1 1 16  4  15 o 50.47394 1.329342  ?              ?        
1 1 1 16  4  16 x ?        ?         ?              ?        
1 1 1 16  4  17 x ?        ?         ?              ?        
1 1 1 16  4  18 x ?        ?         ?              ?        
1 1 1 16  4  19 x ?        ?         ?              ?        
1 1 1 16  4  20 x ?        ?         ?              ?        
1 1 1 16  4  21 x ?        ?         ?              ?        
1 1 1 16  4  22 x ?        ?         ?              ?        
1 1 1 16  4  23 x ?        ?         ?              ?        
1 1 1 16  4  24 x ?        ?         ?              ?        
1 1 1 16  4  25 x ?        ?         ?              ?        
1 1 1 16  4  26 x ?        ?         ?              ?        
1 1 1 16  5  0  o 71.23456 2.019890  6.786980       4.039781 
1 1 1 16  5  1  o 73.62006 2.383507  -14.40341      4.767013 
1 1 1 16  5  2  o 168.4414 2.547618  5.941696       5.095236 
1 1 1 16  5  3  o 171.3145 2.547945  2.134171       5.095891 
1 1 1 16  5  4  o 60.91175 2.225757  6.454552       4.451514 
1 1 1 16  5  5  o 73.36566 2.044348  2.388710       4.088696 
1 1 1 16  5  6  o 20.76989 3.252902  ?              ?        
1 1 1 16  5  7  o 23.43164 5.940511  ?              ?        
1 1 1 16  5  8  o 46.21215 2.413571  -4.599903      4.827141 
1 1 1 16  5  9  o 109.6974 1.887253  ?              ?        
1 1 1 16  5  10 o 101.5058 1.816804  ?              ?        
1 1 1 16  5  11 o 123.6175 1.710349  ?              ?        
1 1 1 16  5  12 o 87.75610 2.168018  ?              ?        
1 1 1 16  5  13 o 70.02884 2.912424  ?              ?        
1 1 1 16  5  14 o 123.9827 3.156782  ?              ?        
1 1 1 16  5  15 o 115.8281 2.183535  ?              ?        
1 1 1 16  5  16 o 22.14964 4.321927  ?              ?        
1 1 1 16  5  17 o 42.05768 2.348899  ?              ?        
1 1 1 16  5  18 o 49.56269 1.888843  ?              ?        
1 1 1 16  5  19 o 43.09618 1.572349  ?              ?        
1 1 1 16  5  20 x ?        ?         ?              ?        
1 1 1 16  5  21 x ?        ?         ?              ?        
1 1 1 16  5  22 x ?        ?         ?              ?        
1 1 1 16  5  23 x ?        ?         ?              ?        
1 1 1 16  5  24 x ?        ?         ?              ?        
1 1 1 16  5  25 x ?        ?         ?              ?        
1 1 1 16  5  26 x ?        ?         ?              ?        
1 1 1 16  6  0  o 45.16524 3.813730  1.126770       7.627460 
1 1 1 16  6  1  o 69.50420 2.469351  -2.361191      4.938702 
1 1 1 16  6  2  o 89.47369 2.280677  1.082718       4.561355 
1 1 1 16  6  3  f 186.7001 2.741814  -1.247620      5.483628 
1 1 1 16  6  4  o 166.3906 2.538861  -1.590149      5.077723 
1 1 1 16  6  5  o 18.43186 4.438068  7.786240       8.876137 
1 1 1 16  6  6  o 18.07772 4.163159  7.292970       8.326319 
1 1 1 16  6  7  o 60.54990 2.088354  -3.874630      4.176709 
1 1 1 16  6  8  o 107.5577 1.980961  4.503815       3.961921 
1 1 1 16  6  9  x ?        ?         ?              ?        
1 1 1 16  6  10 o 31.11267 3.892625  ?              ?        
1 1 1 16  6  11 o 31.30675 2.220948  ?              ?        
1 1 1 16  6  12 o 44.80915 1.639783  ?              ?        
1 1 1 16  6  13 o 61.35601 1.251510  ?              ?        
1 1 1 16  6  14 o 35.51144 5.351942  ?              ?        
1 1 1 16  6  15 o 59.72501 2.752661  ?              ?        
1 1 1 16  6  16 o 52.38316 3.008242  ?              ?        
1 1 1 16  6  17 o 33.78121 3.915632  ?              ?        
1 1 1 16  6  18 o 62.98042 2.384844  ?              ?        
1 1 1 16  6  19 o 127.3596 3.497546  ?              ?        
1 1 1 16  6  20 f 31.74205 4.421413  ?              ?        
1 1 1 16  6  21 o 65.12596 2.380375  ?              ?        
1 1 1 16  6  22 o 35.74810 2.691153  ?              ?        
1 1 1 16  6  23 x ?        ?         ?              ?        
1 1 1 16  6  24 x ?        ?         ?              ?        
1 1 1 16  6  25 x ?        ?         ?              ?        
1 1 1 16  7  0  o 177.6054 2.736189  -6.189041      5.472378 
1 1 1 16  7  1  o 45.99344 5.403122  ?              ?        
1 1 1 16  7  2  o 23.96746 4.644447  5.769791       9.288894 
1 1 1 16  7  3  o 86.19104 2.334690  -4.376427      4.669381 
1 1 1 16  7  4  o 98.85403 2.296617  -1.981232      4.593235 
1 1 1 16  7  5  o 57.94741 2.470006  3.199547       4.940012 
1 1 1 16  7  6  o 79.52882 2.228355  -10.23322      4.456711 
1 1 1 16  7  7  o 68.65189 2.195938  0.4787369      4.391875 
1 1 1 16  7  8  o 92.88113 3.426392  ?              ?        
1 1 1 16  7  9  o 53.32203 2.414894  ?              ?        
1 1 1 16  7  10 o 96.23082 1.952230  ?              ?        
1 1 1 16  7  11 o 75.85835 1.936602  ?              ?        
1 1 1 16  7  12 o 58.03984 2.045604  ?              ?        
1 1 1 16  7  13 o 58.89920 1.989650  ?              ?        
1 1 1 16  7  14 o 143.4035 1.784767  ?              ?        
1 1 1 16  7  15 o 53.15012 1.374991  ?              ?        
1 1 1 16  7  16 o 48.70719 3.591072  ?              ?        
1 1 1 16  7  17 o 38.14508 5.270400  ?              ?        
1 1 1 16  7  18 o 54.20033 3.723493  ?              ?        
1 1 1 16  7  19 f 45.63575 3.673604  ?              ?        
1 1 1 16  7  20 o 53.38700 2.974120  ?              ?        
1 1 1 16  7  21 f 45.67002 3.008216  ?              ?        
1 1 1 16  7  22 o 23.71095 4.730268  ?              ?        
1 1 1 16  7  23 x ?        ?         ?              ?        
1 1 1 16  7  24 x ?        ?         ?              ?        
1 1 1 16  7  25 x ?        ?         ?              ?        
1 1 1 16  8  0  o 196.0472 3.281828  ?              ?        
1 1 1 16  8  1  o 61.99442 2.765317  2.635563       5.530633 
1 1 1 16  8  2  o 107.3595 2.478101  0.7479019      4.956203 
1 1 1 16  8  3  o 43.29478 5.292566  ?              ?        
1 1 1 16  8  4  o 85.33379 2.396191  -3.807404      4.792381 
1 1 1 16  8  5  f 82.68573 2.330732  3.582268       4.661464 
1 1 1 16  8  6  o 107.2474 2.348609  -6.613876      4.697217 
1 1 1 16  8  7  o 124.8382 2.854767  ?              ?        
1 1 1 16  8  8  o 42.29661 3.357845  ?              ?        
1 1 1 16  8  9  o 120.5107 2.621911  ?              ?        
1 1 1 16  8  10 o 53.07854 2.430652  ?              ?        
1 1 1 16  8  11 o 71.82494 2.203213  ?              ?        
1 1 1 16  8  12 o 116.8336 2.218609  ?              ?        
1 1 1 16  8  13 o 28.36000 3.767456  ?              ?        
1 1 1 16  8  14 o 43.40488 5.668082  ?              ?        
1 1 1 16  8  15 f 143.2584 2.121871  ?              ?        
1 1 1 16  8  16 o 19.76791 3.801258  ?              ?        
1 1 1 16  8  17 o 50.40371 1.496503  ?              ?        
1 1 1 16  8  18 o 42.43840 1.270801  ?              ?        
1 1 1 16  8  19 o 84.63579 3.454763  ?              ?        
1 1 1 16  8  20 o 30.01086 4.832367  ?              ?        
1 1 1 16  8  21 o 13.64893 5.432044  ?              ?        
1 1 1 16  8  22 o 52.35077 3.147670  ?              ?        
1 1 1 16  8  23 x ?        ?         ?              ?        
1 1 1 16  8  24 x ?        ?         ?              ?        
1 1 1 16  8  25 x ?        ?         ?              ?        
1 1 1 16  9  0  o 207.3272 3.110927  -5.492142      6.221854 
1 1 1 16  9  1  o 24.80857 4.497132  -9.512405      8.994264 
1 1 1 16  9  2  o 41.01610 3.697764  ?              ?        
1 1 1 16  9  3  o 68.39998 2.712096  -7.903877      5.424193 
1 1 1 16  9  4  o 121.2767 3.029328  -3.360031      6.058655 
1 1 1 16  9  5  o 75.78508 3.243507  -3.511925      6.487013 
1 1 1 16  9  6  o 87.83275 2.694804  -3.754341      5.389608 
1 1 1 16  9  7  o 76.51620 4.995939  ?              ?        
1 1 1 16  9  8  o 65.86647 2.957718  ?              ?        
1 1 1 16  9  9  o 95.04000 2.808240  ?              ?        
1 1 1 16  9  10 o 181.2750 2.693025  ?              ?        
1 1 1 16  9  11 f 159.7895 4.004060  ?              ?        
1 1 1 16  9  12 o 105.7814 3.442841  ?              ?        
1 1 1 16  9  13 o 78.29713 3.421441  ?              ?        
1 1 1 16  9  14 f 96.40247 2.711066  ?              ?        
1 1 1 16  9  15 o 57.71537 3.029524  ?              ?        
1 1 1 16  9  16 o 64.63221 2.090109  ?              ?        
1 1 1 16  9  17 o 60.16335 2.389637  ?              ?        
1 1 1 16  9  18 f 26.37010 2.987513  ?              ?        
1 1 1 16  9  19 o 23.32628 2.279045  ?              ?        
1 1 1 16  9  20 o 49.58419 2.022844  ?              ?        
1 1 1 16  9  21 o 31.62017 2.167807  ?              ?        
1 1 1 16  9  22 o 25.22702 4.696495  ?              ?        
1 1 1 16  9  23 x ?        ?         ?              ?        
1 1 1 16  9  24 x ?        ?         ?              ?        
1 1 1 16  10 0  o 85.00052 2.675601  3.756737       5.351201 
1 1 1 16  10 1  o 89.38163 2.649909  4.749512       5.299819 
1 1 1 16  10 2  f 90.63084 2.662827  4.924377       5.325655 
1 1 1 16  10 3  o 75.68309 4.890198  ?              ?        
1 1 1 16  10 4  o 137.3138 3.050846  ?              ?        
1 1 1 16  10 5  o 132.3237 2.646169  7.254044       5.292338 
1 1 1 16  10 6  o 57.26990 2.843938  4.060307       5.687877 
1 1 1 16  10 7  o 82.29873 3.385128  17.46846       6.770255 
1 1 1 16  10 8  o 148.6714 3.128811  ?              ?        
1 1 1 16  10 9  o 166.1230 4.263478  ?              ?        
1 1 1 16  10 10 o 40.91840 4.075897  ?              ?        
1 1 1 16  10 11 o 126.7359 3.026210  ?              ?        
1 1 1 16  10 12 o 37.33347 4.261323  ?              ?        
1 1 1 16  10 13 o 35.09387 4.280481  ?              ?        
1 1 1 16  10 14 o 65.34270 3.066450  ?              ?        
1 1 1 16  10 15 o 80.38548 2.890274  ?              ?        
1 1 1 16  10 16 o 21.58916 5.026795  ?              ?        
1 1 1 16  10 17 f 45.15074 2.462163  ?              ?        
1 1 1 16  10 18 o 32.45192 3.361643  ?              ?        
1 1 1 16  10 19 o 37.38901 2.690824  ?              ?        
1 1 1 16  10 20 o 8.992291 3.654632  ?              ?        
1 1 1 16  10 21 o 31.66611 2.601327  ?              ?        
1 1 1 16  10 22 o 38.30991 3.651990  ?              ?        
1 1 1 16  10 23 x ?        ?         ?              ?        
1 1 1 16  10 24 x ?        ?         ?              ?        
1 1 1 16  11 0  o 97.70676 2.777260  -2.702797      5.554520 
1 1 1 16  11 1  o 17.27241 4.808651  -0.1471157     9.617302 
1 1 1 16  11 2  o 43.77667 3.627995  -2.505711      7.255990 
1 1 1 16  11 3  o 152.4720 2.829761  -6.565781      5.659521 
1 1 1 16  11 4  o 46.28809 3.409724  2.217487       6.819449 
1 1 1 16  11 5  o 73.49355 2.847933  -12.90594      5.695866 
1 1 1 16  11 6  o 94.36486 3.131303  ?              ?        
1 1 1 16  11 7  f 20.15197 6.720967  ?              ?        
1 1 1 16  11 8  o 59.01244 4.251266  ?              ?        
1 1 1 16  11 9  o 19.73413 7.747320  ?              ?        
1 1 1 16  11 10 o 41.23786 6.629045  ?              ?        
1 1 1 16  11 11 f 59.02693 3.599747  ?              ?        
1 1 1 16  11 12 o 57.67222 3.649088  ?              ?        
1 1 1 16  11 13 o 84.75317 3.084204  ?              ?        
1 1 1 16  11 14 o 85.20231 3.029760  ?              ?        
1 1 1 16  11 15 o 27.52507 5.588573  ?              ?        
1 1 1 16  11 16 o 43.83226 3.594779  ?              ?        
1 1 1 16  11 17 o 24.25570 3.975784  ?              ?        
1 1 1 16  11 18 o 80.71111 1.937836  ?              ?        
1 1 1 16  11 19 o 28.09674 2.684722  ?              ?        
1 1 1 16  11 20 o 28.00957 3.148941  ?              ?        
1 1 1 16  11 21 o 8.311020 3.525412  ?              ?        
1 1 1 16  11 22 o 18.49228 5.391231  ?              ?        
1 1 1 16  11 23 x ?        ?         ?              ?        
1 1 1 16  12 0  o 157.0721 2.972108  -7.948242      5.944216 
1 1 1 16  12 1  o 118.0424 2.871685  9.864250       5.743369 
1 1 1 16  12 2  f 152.2764 2.934211  -1.396347      5.868421 
1 1 1 16  12 3  o 47.81798 3.542144  11.61134       7.084288 
1 1 1 16  12 4  o 63.25305 3.048208  3.434860       6.096417 
1 1 1 16  12 5  o 118.7539 2.784355  -2.856117      5.568711 
1 1 1 16  12 6  o 22.97909 5.376647  1.646921       10.75329 
1 1 1 16  12 7  o 103.9068 4.161016  ?              ?        
1 1 1 16  12 8  o 89.40101 4.089100  ?              ?        
1 1 1 16  12 9  o 49.88831 3.990692  ?              ?        
1 1 1 16  12 10 o 126.7837 3.175335  ?              ?        
1 1 1 16  12 11 o 76.86642 3.388512  ?              ?        
1 1 1 16  12 12 o 51.87609 4.122087  ?              ?        
1 1 1 16  12 13 o 49.11087 6.563078  ?              ?        
1 1 1 16  12 14 o 45.07839 6.329150  ?              ?        
1 1 1 16  12 15 o 20.63542 6.349619  ?              ?        
1 1 1 16  12 16 o 28.95706 5.230778  ?              ?        
1 1 1 16  12 17 o 59.87390 2.336355  ?              ?        
1 1 1 16  12 18 o 35.49672 2.739569  ?              ?        
1 1 1 16  12 19 o 54.22223 2.022687  ?              ?        
1 1 1 16  12 20 o 42.14662 1.938543  ?              ?        
1 1 1 16  12 21 o 15.00248 5.168154  ?              ?        
1 1 1 16  12 22 o 18.37773 5.522871  ?              ?        
1 1 1 16  12 23 x ?        ?         ?              ?        
1 1 1 16  13 0  o 45.92584 6.683012  ?              ?        
1 1 1 16  13 1  o 51.86655 3.918621  -7.598434      7.837242 
1 1 1 16  13 2  o 25.47673 5.476867  6.430403       10.95373 
1 1 1 16  13 3  o 94.05968 2.937263  -8.950951      5.874526 
1 1 1 16  13 4  o 105.4997 2.912414  2.797523       5.824827 
1 1 1 16  13 5  o 21.56373 5.560066  -2.983332      11.12013 
1 1 1 16  13 6  o 64.52534 5.286511  ?              ?        
1 1 1 16  13 7  o 91.88985 4.418331  ?              ?        
1 1 1 16  13 8  o 137.9371 4.455170  ?              ?        
1 1 1 16  13 9  o 32.32679 6.023475  ?              ?        
1 1 1 16  13 10 o 75.18105 3.616459  ?              ?        
1 1 1 16  13 11 o 43.40280 4.840492  ?              ?        
1 1 1 16  13 12 o 64.45866 3.884739  ?              ?        
1 1 1 16  13 13 o 71.96393 3.558449  ?              ?        
1 1 1 16  13 14 f 16.98163 6.497990  ?              ?        
1 1 1 16  13 15 o 34.18162 4.816711  ?              ?        
1 1 1 16  13 16 o 23.07774 6.118583  ?              ?        
1 1 1 16  13 17 x ?        ?         ?              ?        
1 1 1 16  13 18 o 30.18611 3.798420  ?              ?        
1 1 1 16  13 19 x ?        ?         ?              ?        
1 1 1 16  13 20 o 37.38343 3.058348  ?              ?        
1 1 1 16  13 21 o 10.49642 4.761835  ?              ?        
1 1 1 16  13 22 o 17.55074 5.425029  ?              ?        
1 1 1 16  14 0  o 89.65727 3.149817  -3.117256      6.299635 
1 1 1 16  14 1  o 33.27174 5.402082  -0.4451942     10.80416 
1 1 1 16  14 2  o 58.40766 4.818818  2.189178       9.637636 
1 1 1 16  14 3  o 37.29623 7.768899  ?              ?        
1 1 1 16  14 4  o 69.38483 3.617084  3.134903       7.234169 
1 1 1 16  14 5  o 75.80945 3.553702  -4.932655      7.107404 
1 1 1 16  14 6  x ?        ?         ?              ?        
1 1 1 16  14 7  o 78.33195 4.838465  ?              ?        
1 1 1 16  14 8  o 46.79376 5.855021  ?              ?        
1 1 1 16  14 9  o 74.77368 3.771131  ?              ?        
1 1 1 16  14 10 o 135.1955 3.513875  ?              ?        
1 1 1 16  14 11 o 32.50152 6.581692  ?              ?        
1 1 1 16  14 12 o 67.17379 3.773634  ?              ?        
1 1 1 16  14 13 o 37.44314 5.465747  ?              ?        
1 1 1 16  14 14 o 46.64701 4.240887  ?              ?        
1 1 1 16  14 15 o 21.08920 7.471531  ?              ?        
1 1 1 16  14 16 o 47.91854 5.160139  ?              ?        
1 1 1 16  14 17 o 21.25446 6.027436  ?              ?        
1 1 1 16  14 18 o 30.23688 3.461095  ?              ?        
1 1 1 16  14 19 o 30.46609 3.803229  ?              ?        
1 1 1 16  14 20 o 9.563625 4.155733  ?              ?        
1 1 1 16  14 21 o 10.49868 4.821913  ?              ?        
1 1 1 16  14 22 o 19.60678 5.955435  ?              ?        
1 1 1 16  15 0  f 59.69843 3.851104  1.168152       7.702209 
1 1 1 16  15 1  o 17.76209 5.377555  3.546354       10.75511 
1 1 1 16  15 2  o 103.7008 4.807478  ?              ?        
1 1 1 16  15 3  o 37.63397 5.648322  -12.35090      11.29664 
1 1 1 16  15 4  o 95.91108 3.502895  -3.882355      7.005789 
1 1 1 16  15 5  o 52.45271 6.229800  ?              ?        
1 1 1 16  15 6  x ?        ?         ?              ?        
1 1 1 16  15 7  o 43.67498 7.164238  ?              ?        
1 1 1 16  15 8  o 80.98139 3.780659  ?              ?        
1 1 1 16  15 9  o 54.22168 4.488920  ?              ?        
1 1 1 16  15 10 o 49.43175 4.596660  ?              ?        
1 1 1 16  15 11 o 15.64486 6.659415  ?              ?        
1 1 1 16  15 12 o 24.58702 7.114236  ?              ?        
1 1 1 16  15 13 o 28.18360 6.590700  ?              ?        
1 1 1 16  15 14 o 34.45227 4.994662  ?              ?        
1 1 1 16  15 15 o 42.54285 3.975529  ?              ?        
1 1 1 16  15 16 o 12.14520 5.131969  ?              ?        
1 1 1 16  15 17 f 20.93090 4.890897  ?              ?        
1 1 1 16  15 18 o 11.69898 4.701164  ?              ?        
1 1 1 16  15 19 o 12.96641 4.574386  ?              ?        
1 1 1 16  15 20 o 25.10698 3.273987  ?              ?        
1 1 1 16  15 21 o 19.26922 6.108899  ?              ?        
1 1 1 16  16 0  o 73.03073 3.769680  -5.892876      7.539360 
1 1 1 16  16 1  o 62.09846 4.373156  -11.77531      8.746311 
1 1 1 16  16 2  o 32.14905 6.267483  11.91892       12.53497 
1 1 1 16  16 3  o 52.99581 4.527541  6.096844       9.055082 
1 1 1 16  16 4  o 86.27853 3.831095  28.13617       7.662189 
1 1 1 16  16 5  o 39.75508 7.623534  ?              ?        
1 1 1 16  16 6  o 93.57156 5.196416  ?              ?        
1 1 1 16  16 7  o 42.11931 8.096662  ?              ?        
1 1 1 16  16 8  o 61.10073 4.276880  ?              ?        
1 1 1 16  16 9  o 21.21764 7.431698  ?              ?        
1 1 1 16  16 10 o 27.77014 9.392915  ?              ?        
1 1 1 16  16 11 o 18.76951 8.163442  ?              ?        
1 1 1 16  16 12 o 26.33319 6.470116  ?              ?        
1 1 1 16  16 13 o 23.77728 6.562986  ?              ?        
1 1 1 16  16 14 o 44.37522 3.811119  ?              ?        
1 1 1 16  16 15 o 13.57848 5.357585  ?              ?        
1 1 1 16  16 16 o 26.24875 4.346445  ?              ?        
1 1 1 16  16 17 o 14.75721 5.027936  ?              ?        
1 1 1 16  16 18 o 11.53624 4.737789  ?              ?        
1 1 1 16  16 19 o 29.50438 3.045973  ?              ?        
1 1 1 16  16 20 o 21.76896 6.359127  ?              ?        
1 1 1 16  17 0  o 104.5924 3.729103  -0.8607483E-01 7.458207 
1 1 1 16  17 1  o 55.57601 4.877852  -14.15890      9.755704 
1 1 1 16  17 2  o 71.01483 3.992271  1.208382       7.984541 
1 1 1 16  17 3  o 44.91808 5.386124  -4.319027      10.77225 
1 1 1 16  17 4  o 45.64828 6.924458  ?              ?        
1 1 1 16  17 5  o 30.85280 10.03492  ?              ?        
1 1 1 16  17 6  o 43.91171 7.026263  ?              ?        
1 1 1 16  17 7  o 45.21472 7.253278  ?              ?        
1 1 1 16  17 8  o 45.72284 5.186975  ?              ?        
1 1 1 16  17 9  o 18.07265 7.118378  ?              ?        
1 1 1 16  17 10 o 43.65477 4.941298  ?              ?        
1 1 1 16  17 11 o 25.08479 6.832557  ?              ?        
1 1 1 16  17 12 o 36.27214 4.652980  ?              ?        
1 1 1 16  17 13 o 44.48581 4.172167  ?              ?        
1 1 1 16  17 14 o 23.64486 5.284966  ?              ?        
1 1 1 16  17 15 o 14.83979 5.292320  ?              ?        
1 1 1 16  17 16 o 20.06343 7.020113  ?              ?        
1 1 1 16  17 17 o 17.44977 6.427316  ?              ?        
1 1 1 16  17 18 o 13.84408 5.868139  ?              ?        
1 1 1 16  17 19 o 38.74186 4.965377  ?              ?        
1 1 1 16  18 0  o 60.59496 4.720483  -3.322735      9.440966 
1 1 1 16  18 1  o 111.6628 3.793886  -0.5848236     7.587771 
1 1 1 16  18 2  o 98.42342 3.786855  8.046608       7.573709 
1 1 1 16  18 3  f 18.05571 5.566710  2.020933       11.13342 
1 1 1 16  18 4  o 59.37172 6.021624  ?              ?        
1 1 1 16  18 5  x ?        ?         ?              ?        
1 1 1 16  18 6  o 33.62258 8.197056  ?              ?        
1 1 1 16  18 7  o 45.66964 6.731916  ?              ?        
1 1 1 16  18 8  o 28.58516 8.879268  ?              ?        
1 1 1 16  18 9  o 30.91991 8.481297  ?              ?        
1 1 1 16  18 10 f 14.08626 6.531625  ?              ?        
1 1 1 16  18 11 o 20.70021 7.264943  ?              ?        
1 1 1 16  18 12 o 26.58171 6.536327  ?              ?        
1 1 1 16  18 13 o 15.19312 6.235657  ?              ?        
1 1 1 16  18 14 o 41.88297 4.295495  ?              ?        
1 1 1 16  18 15 o 12.09554 5.229135  ?              ?        
1 1 1 16  18 16 o 30.50428 4.787091  ?              ?        
1 1 1 16  18 17 o 40.61499 4.326952  ?              ?        
1 1 1 16  18 18 o 13.40947 5.456501  ?              ?        
1 1 1 16  19 0  o 37.47014 6.323151  -7.421665      12.64630 
1 1 1 16  19 1  o 78.20120 4.021647  -1.750320      8.043294 
1 1 1 16  19 2  o 49.66599 7.237716  ?              ?        
1 1 1 16  19 3  x ?        ?         ?              ?        
1 1 1 16  19 4  o 62.19028 5.733416  ?              ?        
1 1 1 16  19 5  o 49.84121 6.626852  ?              ?        
1 1 1 16  19 6  o 40.08099 7.886197  ?              ?        
1 1 1 16  19 7  o 15.24410 6.537829  ?              ?        
1 1 1 16  19 8  o 36.21673 7.231681  ?              ?        
1 1 1 16  19 9  o 20.72483 6.958342  ?              ?        
1 1 1 16  19 10 o 32.35881 5.152941  ?              ?        
1 1 1 16  19 11 o 15.59929 5.974702  ?              ?        
1 1 1 16  19 12 o 41.86079 3.564288  ?              ?        
1 1 1 16  19 13 o 35.89643 3.461560  ?              ?        
1 1 1 16  19 14 o 11.52849 4.780612  ?              ?        
1 1 1 16  19 15 o 8.721656 4.065508  ?              ?        
1 1 1 16  19 16 o 17.06902 5.278985  ?              ?        
1 1 1 16  19 17 o 15.44071 5.354434  ?              ?        
1 1 1 16  20 0  o 77.88319 4.056852  -15.04020      8.113705 
1 1 1 16  20 1  o 24.39917 5.994127  11.22392       11.98825 
1 1 1 16  20 2  o 19.13481 7.929736  ?              ?        
1 1 1 16  20 3  o 85.64044 5.253315  ?              ?        
1 1 1 16  20 4  o 46.05030 6.770279  ?              ?        
1 1 1 16  20 5  o 35.23622 8.001550  ?              ?        
1 1 1 16  20 6  o 40.60282 5.153875  ?              ?        
1 1 1 16  20 7  o 18.44638 7.849650  ?              ?        
1 1 1 16  20 8  o 20.08580 8.072851  ?              ?        
1 1 1 16  20 9  o 13.69283 5.746909  ?              ?        
1 1 1 16  20 10 o 31.35732 4.518629  ?              ?        
1 1 1 16  20 11 o 30.19099 4.071825  ?              ?        
1 1 1 16  20 12 o 31.15989 3.897589  ?              ?        
1 1 1 16  20 13 o 28.09250 4.022654  ?              ?        
1 1 1 16  20 14 o 20.75095 4.924114  ?              ?        
1 1 1 16  20 15 o 19.38575 5.065770  ?              ?        
1 1 1 16  21 0  o 46.13418 4.483795  7.317715       8.967589 
1 1 1 16  21 1  f 20.58135 5.710835  1.564674       11.42167 
1 1 1 16  21 2  o 16.97912 7.235373  ?              ?        
1 1 1 16  21 3  o 19.03811 7.743978  ?              ?        
1 1 1 16  21 4  x ?        ?         ?              ?        
1 1 1 16  21 5  o 26.31179 8.099249  ?              ?        
1 1 1 16  21 6  o 18.93974 6.628514  ?              ?        
1 1 1 16  21 7  o 32.58537 4.735149  ?              ?        
1 1 1 16  21 8  o 19.33269 6.195033  ?              ?        
1 1 1 16  21 9  o 21.05347 5.514995  ?              ?        
1 1 1 16  21 10 o 15.68397 5.442213  ?              ?        
1 1 1 16  21 11 o 21.66779 5.160668  ?              ?        
1 1 1 16  21 12 o 26.17225 4.296950  ?              ?        
1 1 1 16  21 13 o 11.30295 4.874859  ?              ?        
1 1 1 16  21 14 o 34.36313 6.238695  ?              ?        
1 1 1 16  22 0  o 47.48938 4.448293  -7.230583      8.896586 
1 1 1 16  22 1  o 27.62720 7.967210  ?              ?        
1 1 1 16  22 2  o 29.71644 7.684401  ?              ?        
1 1 1 16  22 3  o 24.52546 7.641439  ?              ?        
1 1 1 16  22 4  o 19.99230 7.322630  ?              ?        
1 1 1 16  22 5  f 14.88806 6.369484  ?              ?        
1 1 1 16  22 6  o 11.62166 5.153719  ?              ?        
1 1 1 16  22 7  o 14.02715 5.502703  ?              ?        
1 1 1 16  22 8  o 28.42999 4.319722  ?              ?        
1 1 1 16  22 9  o 28.29502 4.493583  ?              ?        
1 1 1 16  22 10 o 14.46358 5.495456  ?              ?        
1 1 1 16  22 11 o 10.32306 4.654633  ?              ?        
1 1 1 16  22 12 o 15.33301 5.537746  ?              ?        
1 1 1 16  23 0  x ?        ?         ?              ?        
1 1 1 16  23 1  o 14.98214 6.578426  ?              ?        
1 1 1 16  23 2  o 18.23521 6.793523  ?              ?        
1 1 1 16  23 3  o 30.52236 6.130035  ?              ?        
1 1 1 16  23 4  o 22.21513 6.384154  ?              ?        
1 1 1 16  23 5  o 22.07452 5.627040  ?              ?        
1 1 1 16  23 6  o 20.87556 5.497214  ?              ?        
1 1 1 16  23 7  o 15.97838 5.567233  ?              ?        
1 1 1 16  23 8  o 34.87911 4.112368  ?              ?        
1 1 1 16  23 9  o 28.90509 4.208077  ?              ?        
1 1 1 16  23 10 o 14.92562 5.466909  ?              ?        
1 1 1 16  24 0  o 13.62158 6.045140  ?              ?        
1 1 1 16  24 1  o 34.20659 6.432181  ?              ?        
1 1 1 16  24 2  o 21.89074 6.875290  ?              ?        
1 1 1 16  24 3  x ?        ?         ?              ?        
1 1 1 16  24 4  o 11.43497 5.097180  ?              ?        
1 1 1 16  24 5  o 16.97830 6.890038  ?              ?        
1 1 1 16  24 6  o 25.57032 7.479273  ?              ?        
1 1 1 16  24 7  o 25.19893 5.267041  ?              ?        
1 1 1 16  24 8  o 18.91751 5.481731  ?              ?        
1 1 1 16  25 0  o 28.81427 6.760026  ?              ?        
1 1 1 16  25 1  o 9.516223 4.608745  ?              ?        
1 1 1 16  25 2  o 20.09443 6.637671  ?              ?        
1 1 1 16  25 3  f 13.69576 5.397213  ?              ?        
1 1 1 16  25 4  f 19.10689 5.682670  ?              ?        
1 1 1 16  25 5  o 32.02275 4.376837  ?              ?        
1 1 1 16  26 0  o 18.40703 6.748120  ?              ?        
1 1 1 17  0  0  o 176.9689 2.788156  -0.000000      0.000000 
1 1 1 17  0  1  o 111.4718 2.282221  -0.000000      0.000000 
1 1 1 17  0  2  o 8.155965 5.288607  -0.000000      0.000000 
1 1 1 17  0  3  x ?        ?         ?              ?        
1 1 1 17  0  4  o 64.10524 2.231523  -0.000000      0.000000 
1 1 1 17  0  5  o 63.60869 3.379841  -0.000000      0.000000 
1 1 1 17  0  6  o 9.578810 5.572380  -0.000000      0.000000 
1 1 1 17  0  7  x ?        ?         ?              ?        
1 1 1 17  0  8  o 47.65833 2.848512  -0.000000      0.000000 
1 1 1 17  0  9  o 26.27147 3.713443  -0.000000      0.000000 
1 1 1 17  0  10 x ?        ?         ?              ?        
1 1 1 17  0  11 x ?        ?         ?              ?        
1 1 1 17  0  12 x ?        ?         ?              ?        
1 1 1 17  0  13 x ?        ?         ?              ?        
1 1 1 17  0  14 x ?        ?         ?              ?        
1 1 1 17  0  15 x ?        ?         ?              ?        
1 1 1 17  0  16 x ?        ?         ?              ?        
1 1 1 17  0  17 x ?        ?         ?              ?        
1 1 1 17  0  18 x ?        ?         ?              ?        
1 1 1 17  0  19 x ?        ?         ?              ?        
1 1 1 17  0  20 x ?        ?         ?              ?        
1 1 1 17  0  21 x ?        ?         ?              ?        
1 1 1 17  0  22 x ?        ?         ?              ?        
1 1 1 17  0  23 x ?        ?         ?              ?        
1 1 1 17  0  24 x ?        ?         ?              ?        
1 1 1 17  0  25 x ?        ?         ?              ?        
1 1 1 17  1  0  o 111.3178 1.581334  -1.913841      3.162668 
1 1 1 17  1  1  o 121.3657 1.627400  -3.282486      3.254799 
1 1 1 17  1  2  o 182.0312 2.019227  -2.691681      4.038454 
1 1 1 17  1  3  o 63.75182 2.550803  ?              ?        
1 1 1 17  1  4  o 150.4735 1.807567  -0.9341125     3.615135 
1 1 1 17  1  5  o 69.59862 2.183447  -11.49392      4.366894 
1 1 1 17  1  6  o 25.79525 5.296997  ?              ?        
1 1 1 17  1  7  o 70.03236 2.093024  4.825035       4.186048 
1 1 1 17  1  8  o 32.04694 2.339823  4.623665       4.679647 
1 1 1 17  1  9  o 57.91658 1.720785  1.058430       3.441570 
1 1 1 17  1  10 o 90.52540 1.646552  ?              ?        
1 1 1 17  1  11 x ?        ?         ?              ?        
1 1 1 17  1  12 x ?        ?         ?              ?        
1 1 1 17  1  13 x ?        ?         ?              ?        
1 1 1 17  1  14 x ?        ?         ?              ?        
1 1 1 17  1  15 x ?        ?         ?              ?        
1 1 1 17  1  16 x ?        ?         ?              ?        
1 1 1 17  1  17 x ?        ?         ?              ?        
1 1 1 17  1  18 x ?        ?         ?              ?        
1 1 1 17  1  19 x ?        ?         ?              ?        
1 1 1 17  1  20 x ?        ?         ?              ?        
1 1 1 17  1  21 x ?        ?         ?              ?        
1 1 1 17  1  22 x ?        ?         ?              ?        
1 1 1 17  1  23 x ?        ?         ?              ?        
1 1 1 17  1  24 x ?        ?         ?              ?        
1 1 1 17  1  25 x ?        ?         ?              ?        
1 1 1 17  2  0  o 52.12305 3.181878  ?              ?        
1 1 1 17  2  1  o 94.90955 1.578364  -3.779633      3.156728 
1 1 1 17  2  2  f 109.8757 1.603273  2.753838       3.206546 
1 1 1 17  2  3  o 147.7296 1.789653  2.963501       3.579306 
1 1 1 17  2  4  o 133.7773 1.701786  4.050980       3.403572 
1 1 1 17  2  5  o 37.76698 1.783021  ?              ?        
1 1 1 17  2  6  o 76.80182 1.981456  -4.514275      3.962912 
1 1 1 17  2  7  o 112.2640 2.139630  6.400192       4.279260 
1 1 1 17  2  8  o 44.51676 1.856411  -5.829235      3.712821 
1 1 1 17  2  9  o 50.62332 1.663415  -2.692036      3.326831 
1 1 1 17  2  10 x ?        ?         ?              ?        
1 1 1 17  2  11 o 30.61021 1.846245  ?              ?        
1 1 1 17  2  12 x ?        ?         ?              ?        
1 1 1 17  2  13 x ?        ?         ?              ?        
1 1 1 17  2  14 x ?        ?         ?              ?        
1 1 1 17  2  15 x ?        ?         ?              ?        
1 1 1 17  2  16 x ?        ?         ?              ?        
1 1 1 17  2  17 x ?        ?         ?              ?        
1 1 1 17  2  18 x ?        ?         ?              ?        
1 1 1 17  2  19 x ?        ?         ?              ?        
1 1 1 17  2  20 x ?        ?         ?              ?        
1 1 1 17  2  21 x ?        ?         ?              ?        
1 1 1 17  2  22 x ?        ?         ?              ?        
1 1 1 17  2  23 x ?        ?         ?              ?        
1 1 1 17  2  24 x ?        ?         ?              ?        
1 1 1 17  2  25 x ?        ?         ?              ?        
1 1 1 17  3  0  o 130.0033 3.825447  ?              ?        
1 1 1 17  3  1  f 88.41617 1.607909  -1.176620      3.215819 
1 1 1 17  3  2  o 70.05899 1.704897  -7.177711      3.409794 
1 1 1 17  3  3  o 88.86977 1.616390  4.243942       3.232780 
1 1 1 17  3  4  o 64.28070 2.070568  -3.313519      4.141136 
1 1 1 17  3  5  o 90.70728 1.818838  -7.880371      3.637676 
1 1 1 17  3  6  o 32.53642 2.381025  1.892162       4.762051 
1 1 1 17  3  7  o 32.94950 4.284466  ?              ?        
1 1 1 17  3  8  o 53.05444 1.800025  -11.60455      3.600049 
1 1 1 17  3  9  o 99.14658 1.564708  -7.143372      3.129416 
1 1 1 17  3  10 o 55.46016 1.443226  ?              ?        
1 1 1 17  3  11 o 75.90630 1.519976  ?              ?        
1 1 1 17  3  12 o 80.55288 1.568427  ?              ?        
1 1 1 17  3  13 x ?        ?         ?              ?        
1 1 1 17  3  14 x ?        ?         ?              ?        
1 1 1 17  3  15 x ?        ?         ?              ?        
1 1 1 17  3  16 x ?        ?         ?              ?        
1 1 1 17  3  17 x ?        ?         ?              ?        
1 1 1 17  3  18 x ?        ?         ?              ?        
1 1 1 17  3  19 x ?        ?         ?              ?        
1 1 1 17  3  20 x ?        ?         ?              ?        
1 1 1 17  3  21 x ?        ?         ?              ?        
1 1 1 17  3  22 x ?        ?         ?              ?        
1 1 1 17  3  23 x ?        ?         ?              ?        
1 1 1 17  3  24 x ?        ?         ?              ?        
1 1 1 17  3  25 x ?        ?         ?              ?        
1 1 1 17  4  0  o 25.19801 3.532011  -2.473471      7.064022 
1 1 1 17  4  1  o 97.69923 3.801822  ?              ?        
1 1 1 17  4  2  o 54.07745 2.326839  -3.079418      4.653677 
1 1 1 17  4  3  o 80.27212 3.775488  ?              ?        
1 1 1 17  4  4  o 67.17143 2.026258  -5.503624      4.052516 
1 1 1 17  4  5  f 72.15008 3.564111  ?              ?        
1 1 1 17  4  6  o 69.82529 1.459599  ?              ?        
1 1 1 17  4  7  o 225.6623 3.270008  4.676651       6.540017 
1 1 1 17  4  8  o 25.56796 2.970104  -2.035955      5.940207 
1 1 1 17  4  9  o 100.9795 1.642264  -3.749527      3.284529 
1 1 1 17  4  10 o 97.46666 1.480408  ?              ?        
1 1 1 17  4  11 o 91.10405 2.197180  ?              ?        
1 1 1 17  4  12 f 55.68712 1.595744  ?              ?        
1 1 1 17  4  13 o 105.8859 1.803151  ?              ?        
1 1 1 17  4  14 o 88.61288 1.518108  ?              ?        
1 1 1 17  4  15 x ?        ?         ?              ?        
1 1 1 17  4  16 x ?        ?         ?              ?        
1 1 1 17  4  17 x ?        ?         ?              ?        
1 1 1 17  4  18 x ?        ?         ?              ?        
1 1 1 17  4  19 x ?        ?         ?              ?        
1 1 1 17  4  20 x ?        ?         ?              ?        
1 1 1 17  4  21 x ?        ?         ?              ?        
1 1 1 17  4  22 x ?        ?         ?              ?        
1 1 1 17  4  23 x ?        ?         ?              ?        
1 1 1 17  4  24 x ?        ?         ?              ?        
1 1 1 17  4  25 x ?        ?         ?              ?        
1 1 1 17  5  0  o 74.65628 2.212772  -5.946815      4.425543 
1 1 1 17  5  1  o 59.56000 2.446098  5.427391       4.892196 
1 1 1 17  5  2  f 43.42729 2.872844  6.589329       5.745689 
1 1 1 17  5  3  o 86.68692 2.128938  -3.529778      4.257875 
1 1 1 17  5  4  o 93.65366 2.093971  -0.5086517     4.187942 
1 1 1 17  5  5  o 20.25562 3.625909  -8.580357      7.251819 
1 1 1 17  5  6  o 90.79459 1.961403  5.626175       3.922806 
1 1 1 17  5  7  o 116.4065 2.545503  ?              ?        
1 1 1 17  5  8  o 131.9539 2.013406  -4.964111      4.026812 
1 1 1 17  5  9  o 63.26077 1.455289  ?              ?        
1 1 1 17  5  10 o 36.99495 1.552108  ?              ?        
1 1 1 17  5  11 f 31.88800 3.047144  ?              ?        
1 1 1 17  5  12 o 69.69179 2.127609  ?              ?        
1 1 1 17  5  13 o 57.58437 2.758617  ?              ?        
1 1 1 17  5  14 f 47.20846 2.305232  ?              ?        
1 1 1 17  5  15 o 13.09341 4.678802  ?              ?        
1 1 1 17  5  16 o 23.90399 2.946447  ?              ?        
1 1 1 17  5  17 o 70.50897 1.495981  ?              ?        
1 1 1 17  5  18 o 59.54538 1.201174  ?              ?        
1 1 1 17  5  19 x ?        ?         ?              ?        
1 1 1 17  5  20 x ?        ?         ?              ?        
1 1 1 17  5  21 x ?        ?         ?              ?        
1 1 1 17  5  22 x ?        ?         ?              ?        
1 1 1 17  5  23 x ?        ?         ?              ?        
1 1 1 17  5  24 x ?        ?         ?              ?        
1 1 1 17  5  25 x ?        ?         ?              ?        
1 1 1 17  6  0  o 231.8564 3.612505  7.016479       7.225010 
1 1 1 17  6  1  o 107.0814 2.614951  8.394714       5.229901 
1 1 1 17  6  2  o 78.13971 2.372774  -10.70796      4.745548 
1 1 1 17  6  3  f 165.8145 2.544712  -11.02332      5.089424 
1 1 1 17  6  4  o 33.22279 3.486020  -3.160625      6.972040 
1 1 1 17  6  5  o 150.7677 2.447027  1.860992       4.894054 
1 1 1 17  6  6  o 117.8925 2.326105  -0.3726425     4.652209 
1 1 1 17  6  7  o 52.97153 4.014492  ?              ?        
1 1 1 17  6  8  o 80.02008 1.882796  ?              ?        
1 1 1 17  6  9  o 129.6717 2.213813  ?              ?        
1 1 1 17  6  10 o 88.52877 2.443019  ?              ?        
1 1 1 17  6  11 o 72.35410 1.520555  ?              ?        
1 1 1 17  6  12 o 24.31894 1.855673  ?              ?        
1 1 1 17  6  13 o 33.90490 2.367694  ?              ?        
1 1 1 17  6  14 o 41.61216 3.299916  ?              ?        
1 1 1 17  6  15 o 59.57163 2.732553  ?              ?        
1 1 1 17  6  16 o 28.76768 4.252932  ?              ?        
1 1 1 17  6  17 o 74.66012 3.069036  ?              ?        
1 1 1 17  6  18 f 77.96105 2.016146  ?              ?        
1 1 1 17  6  19 o 47.27138 2.023475  ?              ?        
1 1 1 17  6  20 o 33.32081 2.094563  ?              ?        
1 1 1 17  6  21 o 15.95333 3.399399  ?              ?        
1 1 1 17  6  22 x ?        ?         ?              ?        
1 1 1 17  6  23 x ?        ?         ?              ?        
1 1 1 17  6  24 x ?        ?         ?              ?        
1 1 1 17  6  25 x ?        ?         ?              ?        
1 1 1 17  7  0  o 92.58736 2.440401  ?              ?        
1 1 1 17  7  1  o 71.83150 2.539352  -1.396896      5.078703 
1 1 1 17  7  2  o 25.28614 7.767325  ?              ?        
1 1 1 17  7  3  o 98.12691 2.345951  0.1653519      4.691902 
1 1 1 17  7  4  o 66.07224 2.477632  -4.771179      4.955265 
1 1 1 17  7  5  o 57.10744 2.513480  2.994488       5.026961 
1 1 1 17  7  6  o 24.61347 7.274945  ?              ?        
1 1 1 17  7  7  o 62.02248 2.299733  8.671249       4.599466 
1 1 1 17  7  8  o 58.40064 2.198113  5.005386       4.396227 
1 1 1 17  7  9  o 56.36204 2.278779  ?              ?        
1 1 1 17  7  10 o 67.62320 1.917332  ?              ?        
1 1 1 17  7  11 o 133.9613 2.072439  ?              ?        
1 1 1 17  7  12 o 49.98210 2.019274  ?              ?        
1 1 1 17  7  13 o 28.60564 2.585134  ?              ?        
1 1 1 17  7  14 o 30.71744 1.884523  ?              ?        
1 1 1 17  7  15 o 22.51145 6.290560  ?              ?        
1 1 1 17  7  16 o 51.57063 3.135207  ?              ?        
1 1 1 17  7  17 o 20.18557 6.681617  ?              ?        
1 1 1 17  7  18 o 27.72750 5.407938  ?              ?        
1 1 1 17  7  19 f 50.93517 2.369824  ?              ?        
1 1 1 17  7  20 o 18.75727 4.196273  ?              ?        
1 1 1 17  7  21 o 13.16834 4.523546  ?              ?        
1 1 1 17  7  22 x ?        ?         ?              ?        
1 1 1 17  7  23 x ?        ?         ?              ?        
1 1 1 17  7  24 x ?        ?         ?              ?        
1 1 1 17  8  0  f 161.8684 2.785957  9.284988       5.571913 
1 1 1 17  8  1  f 143.9521 2.818098  ?              ?        
1 1 1 17  8  2  o 67.88049 2.622394  -2.349312      5.244788 
1 1 1 17  8  3  o 82.65414 2.924984  0.1218033      5.849969 
1 1 1 17  8  4  o 109.5113 2.757507  7.783737       5.515015 
1 1 1 17  8  5  o 98.52173 2.412030  -2.083130      4.824059 
1 1 1 17  8  6  o 88.37711 2.418249  -2.523804      4.836498 
1 1 1 17  8  7  o 53.45129 2.703547  0.3896065      5.407094 
1 1 1 17  8  8  o 84.94231 2.274004  3.697220       4.548008 
1 1 1 17  8  9  o 61.73046 2.662688  ?              ?        
1 1 1 17  8  10 o 98.83800 2.134336  ?              ?        
1 1 1 17  8  11 f 57.00903 2.341042  ?              ?        
1 1 1 17  8  12 o 72.56718 2.133323  ?              ?        
1 1 1 17  8  13 o 52.86504 2.398568  ?              ?        
1 1 1 17  8  14 o 66.90907 2.082381  ?              ?        
1 1 1 17  8  15 o 41.09479 1.961804  ?              ?        
1 1 1 17  8  16 o 50.29267 1.467919  ?              ?        
1 1 1 17  8  17 o 50.84044 3.169698  ?              ?        
1 1 1 17  8  18 o 22.50920 5.178225  ?              ?        
1 1 1 17  8  19 o 19.15806 5.761525  ?              ?        
1 1 1 17  8  20 o 10.38458 4.725506  ?              ?        
1 1 1 17  8  21 o 17.19810 5.260800  ?              ?        
1 1 1 17  8  22 x ?        ?         ?              ?        
1 1 1 17  8  23 x ?        ?         ?              ?        
1 1 1 17  8  24 x ?        ?         ?              ?        
1 1 1 17  9  0  o 111.0598 2.593087  -3.318863      5.186173 
1 1 1 17  9  1  o 39.83347 3.427724  6.484413       6.855449 
1 1 1 17  9  2  o 69.45047 2.891277  ?              ?        
1 1 1 17  9  3  o 109.1567 2.572784  -2.802193      5.145568 
1 1 1 17  9  4  o 48.48267 3.120616  4.245068       6.241231 
1 1 1 17  9  5  o 101.7486 3.023835  1.175476       6.047670 
1 1 1 17  9  6  o 43.74543 3.336196  -10.35376      6.672393 
1 1 1 17  9  7  o 160.2000 2.981084  5.003220       5.962168 
1 1 1 17  9  8  o 125.8066 2.847224  ?              ?        
1 1 1 17  9  9  f 123.8097 2.790694  ?              ?        
1 1 1 17  9  10 o 82.19479 2.385177  ?              ?        
1 1 1 17  9  11 o 78.84800 2.488122  ?              ?        
1 1 1 17  9  12 o 29.18475 5.361543  ?              ?        
1 1 1 17  9  13 o 48.75889 3.546856  ?              ?        
1 1 1 17  9  14 o 52.18681 2.757320  ?              ?        
1 1 1 17  9  15 o 60.93492 2.193675  ?              ?        
1 1 1 17  9  16 o 115.8046 2.534594  ?              ?        
1 1 1 17  9  17 o 55.46095 1.733961  ?              ?        
1 1 1 17  9  18 o 39.38956 2.276090  ?              ?        
1 1 1 17  9  19 o 34.59452 2.301589  ?              ?        
1 1 1 17  9  20 o 20.06796 5.487124  ?              ?        
1 1 1 17  9  21 o 12.70631 5.111648  ?              ?        
1 1 1 17  9  22 x ?        ?         ?              ?        
1 1 1 17  9  23 x ?        ?         ?              ?        
1 1 1 17  10 0  o 96.38329 2.730614  -2.536438      5.461228 
1 1 1 17  10 1  f 66.83890 2.977357  -4.849358      5.954715 
1 1 1 17  10 2  o 102.1584 2.691728  2.358978       5.383456 
1 1 1 17  10 3  o 17.79600 4.649397  13.32736       9.298795 
1 1 1 17  10 4  o 126.6968 2.966819  ?              ?        
1 1 1 17  10 5  o 100.6326 2.645335  1.098015       5.290670 
1 1 1 17  10 6  o 59.19839 2.885667  4.891228       5.771333 
1 1 1 17  10 7  o 93.00301 4.140453  ?              ?        
1 1 1 17  10 8  o 117.5753 3.030921  ?              ?        
1 1 1 17  10 9  o 49.70369 3.837207  ?              ?        
1 1 1 17  10 10 o 32.55405 4.729687  ?              ?        
1 1 1 17  10 11 o 43.47628 3.852115  ?              ?        
1 1 1 17  10 12 o 43.45090 3.804047  ?              ?        
1 1 1 17  10 13 o 28.68208 5.431411  ?              ?        
1 1 1 17  10 14 o 40.27666 3.837301  ?              ?        
1 1 1 17  10 15 o 31.90939 4.196297  ?              ?        
1 1 1 17  10 16 o 53.32344 2.303056  ?              ?        
1 1 1 17  10 17 o 86.24208 2.480427  ?              ?        
1 1 1 17  10 18 o 28.46115 2.468579  ?              ?        
1 1 1 17  10 19 o 20.73673 4.161484  ?              ?        
1 1 1 17  10 20 x ?        ?         ?              ?        
1 1 1 17  10 21 x ?        ?         ?              ?        
1 1 1 17  10 22 x ?        ?         ?              ?        
1 1 1 17  10 23 x ?        ?         ?              ?        
1 1 1 17  11 0  o 40.95013 4.313898  -11.20013      8.627795 
1 1 1 17  11 1  o 61.58019 3.244188  -0.7676315E-01 6.488376 
1 1 1 17  11 2  o 80.93475 2.884183  -4.245064      5.768366 
1 1 1 17  11 3  o 43.81370 3.649777  -5.402229      7.299553 
1 1 1 17  11 4  f 91.32715 2.804100  13.79224       5.608201 
1 1 1 17  11 5  o 42.73682 3.694232  6.890755       7.388465 
1 1 1 17  11 6  o 38.78896 4.712216  ?              ?        
1 1 1 17  11 7  o 45.84321 3.939738  0.4709015      7.879476 
1 1 1 17  11 8  o 82.08752 3.256674  ?              ?        
1 1 1 17  11 9  o 51.45498 4.166630  ?              ?        
1 1 1 17  11 10 o 107.8561 4.851020  ?              ?        
1 1 1 17  11 11 o 79.83192 3.239914  ?              ?        
1 1 1 17  11 12 o 25.81404 6.025087  ?              ?        
1 1 1 17  11 13 o 53.84045 3.609841  ?              ?        
1 1 1 17  11 14 o 49.68267 3.419366  ?              ?        
1 1 1 17  11 15 o 52.48281 2.910100  ?              ?        
1 1 1 17  11 16 f 16.74439 5.446315  ?              ?        
1 1 1 17  11 17 o 37.73199 2.437077  ?              ?        
1 1 1 17  11 18 f 28.74000 2.500355  ?              ?        
1 1 1 17  11 19 o 46.86901 1.848648  ?              ?        
1 1 1 17  11 20 o 23.38798 5.176230  ?              ?        
1 1 1 17  11 21 o 15.98164 5.236094  ?              ?        
1 1 1 17  11 22 x ?        ?         ?              ?        
1 1 1 17  12 0  o 27.49279 5.297908  -5.546482      10.59582 
1 1 1 17  12 1  o 45.33455 3.892917  5.911369       7.785833 
1 1 1 17  12 2  o 18.05928 5.238300  8.026152       10.47660 
1 1 1 17  12 3  o 83.86867 2.973020  1.126091       5.946040 
1 1 1 17  12 4  o 51.84064 3.648879  -8.289242      7.297759 
1 1 1 17  12 5  o 68.91998 6.364959  ?              ?        
1 1 1 17  12 6  o 149.1354 2.893711  -5.330078      5.787422 
1 1 1 17  12 7  o 69.35841 4.450947  ?              ?        
1 1 1 17  12 8  o 121.7488 3.350798  ?              ?        
1 1 1 17  12 9  o 76.50515 3.486186  ?              ?        
1 1 1 17  12 10 o 85.30857 3.274229  ?              ?        
1 1 1 17  12 11 o 50.55594 4.343055  ?              ?        
1 1 1 17  12 12 o 54.16705 3.793403  ?              ?        
1 1 1 17  12 13 o 75.00832 5.273664  ?              ?        
1 1 1 17  12 14 o 36.15285 4.098630  ?              ?        
1 1 1 17  12 15 o 28.76634 4.184953  ?              ?        
1 1 1 17  12 16 o 15.66855 5.387525  ?              ?        
1 1 1 17  12 17 o 49.30121 2.205716  ?              ?        
1 1 1 17  12 18 o 22.63195 3.324515  ?              ?        
1 1 1 17  12 19 o 25.30907 2.948500  ?              ?        
1 1 1 17  12 20 o 16.60318 5.559659  ?              ?        
1 1 1 17  12 21 o 14.04138 5.295056  ?              ?        
1 1 1 17  12 22 x ?        ?         ?              ?        
1 1 1 17  13 0  o 142.8579 3.107954  3.532669       6.215908 
1 1 1 17  13 1  o 27.17567 8.823238  ?              ?        
1 1 1 17  13 2  o 41.79161 4.817197  1.076439       9.634394 
1 1 1 17  13 3  o 73.20810 3.241072  4.485222       6.482145 
1 1 1 17  13 4  o 81.27028 3.149818  -0.2273178     6.299636 
1 1 1 17  13 5  o 58.66931 3.564468  -1.820351      7.128935 
1 1 1 17  13 6  o 29.36601 5.445074  -6.462185      10.89015 
1 1 1 17  13 7  o 130.4219 4.470108  ?              ?        
1 1 1 17  13 8  o 69.66546 4.812383  ?              ?        
1 1 1 17  13 9  o 132.7052 3.369135  ?              ?        
1 1 1 17  13 10 o 109.3832 3.342118  ?              ?        
1 1 1 17  13 11 o 36.29399 5.225584  ?              ?        
1 1 1 17  13 12 o 61.18404 3.758605  ?              ?        
1 1 1 17  13 13 o 45.23092 4.007906  ?              ?        
1 1 1 17  13 14 o 61.56618 3.305943  ?              ?        
1 1 1 17  13 15 o 12.85674 5.334143  ?              ?        
1 1 1 17  13 16 o 45.08307 3.189833  ?              ?        
1 1 1 17  13 17 o 12.10748 5.339406  ?              ?        
1 1 1 17  13 18 o 21.07395 4.495195  ?              ?        
1 1 1 17  13 19 o 27.54418 2.728523  ?              ?        
1 1 1 17  13 20 o 19.93322 5.617888  ?              ?        
1 1 1 17  13 21 o 9.003920 4.218479  ?              ?        
1 1 1 17  14 0  o 88.81500 3.615886  ?              ?        
1 1 1 17  14 1  o 80.42333 3.365108  -8.010757      6.730216 
1 1 1 17  14 2  o 52.38486 4.150928  1.877357       8.301855 
1 1 1 17  14 3  o 34.26373 6.800254  7.908779       13.60051 
1 1 1 17  14 4  o 131.1091 3.102982  -1.566956      6.205964 
1 1 1 17  14 5  o 30.89922 6.101350  -6.062206      12.20270 
1 1 1 17  14 6  f 24.66349 8.549783  ?              ?        
1 1 1 17  14 7  o 23.64207 8.587662  ?              ?        
1 1 1 17  14 8  o 40.26266 7.498752  ?              ?        
1 1 1 17  14 9  o 36.22382 5.773240  ?              ?        
1 1 1 17  14 10 o 41.53931 5.033384  ?              ?        
1 1 1 17  14 11 o 36.04979 5.688704  ?              ?        
1 1 1 17  14 12 o 46.12563 4.352327  ?              ?        
1 1 1 17  14 13 f 25.33497 6.215638  ?              ?        
1 1 1 17  14 14 o 22.07954 5.973598  ?              ?        
1 1 1 17  14 15 o 11.80775 5.423230  ?              ?        
1 1 1 17  14 16 o 24.01912 5.979754  ?              ?        
1 1 1 17  14 17 o 15.16107 5.511047  ?              ?        
1 1 1 17  14 18 o 24.17626 4.934501  ?              ?        
1 1 1 17  14 19 o 20.09064 4.242670  ?              ?        
1 1 1 17  14 20 x ?        ?         ?              ?        
1 1 1 17  15 0  o 16.93643 5.332436  2.718838       10.66487 
1 1 1 17  15 1  o 98.72658 3.295698  -4.480721      6.591397 
1 1 1 17  15 2  x ?        ?         ?              ?        
1 1 1 17  15 3  o 25.18110 8.203899  ?              ?        
1 1 1 17  15 4  o 19.32861 5.741341  -1.940214      11.48268 
1 1 1 17  15 5  f 85.65073 3.655679  7.264816       7.311357 
1 1 1 17  15 6  x ?        ?         ?              ?        
1 1 1 17  15 7  x ?        ?         ?              ?        
1 1 1 17  15 8  o 35.75961 8.103419  ?              ?        
1 1 1 17  15 9  o 26.36473 7.097561  ?              ?        
1 1 1 17  15 10 o 56.09892 4.105098  ?              ?        
1 1 1 17  15 11 o 24.91207 6.786636  ?              ?        
1 1 1 17  15 12 o 43.57090 4.398543  ?              ?        
1 1 1 17  15 13 o 39.40628 4.471611  ?              ?        
1 1 1 17  15 14 o 71.57530 3.125334  ?              ?        
1 1 1 17  15 15 o 10.90907 4.871762  ?              ?        
1 1 1 17  15 16 o 20.98034 4.932277  ?              ?        
1 1 1 17  15 17 o 28.69403 3.349330  ?              ?        
1 1 1 17  15 18 o 21.71934 4.192447  ?              ?        
1 1 1 17  15 19 o 15.32680 5.943721  ?              ?        
1 1 1 17  15 20 o 35.75204 4.339331  ?              ?        
1 1 1 17  16 0  o 123.8928 3.302209  0.2652588      6.604418 
1 1 1 17  16 1  o 48.03918 4.555315  0.1646881      9.110630 
1 1 1 17  16 2  o 36.58567 5.951043  6.782269       11.90209 
1 1 1 17  16 3  o 60.69612 4.260859  6.139191       8.521718 
1 1 1 17  16 4  x ?        ?         ?              ?        
1 1 1 17  16 5  o 82.64048 5.492139  ?              ?        
1 1 1 17  16 6  o 26.88448 8.713734  ?              ?        
1 1 1 17  16 7  o 78.03487 5.220634  ?              ?        
1 1 1 17  16 8  o 43.15415 4.857688  ?              ?        
1 1 1 17  16 9  o 27.77451 6.656625  ?              ?        
1 1 1 17  16 10 o 32.38116 8.551395  ?              ?        
1 1 1 17  16 11 o 41.13154 7.637647  ?              ?        
1 1 1 17  16 12 o 44.12675 4.003952  ?              ?        
1 1 1 17  16 13 o 81.57379 3.179805  ?              ?        
1 1 1 17  16 14 o 24.40468 5.389547  ?              ?        
1 1 1 17  16 15 o 7.903417 3.791500  ?              ?        
1 1 1 17  16 16 o 26.90478 3.812966  ?              ?        
1 1 1 17  16 17 o 16.79384 5.075944  ?              ?        
1 1 1 17  16 18 o 11.55542 4.728190  ?              ?        
1 1 1 17  16 19 o 11.70918 5.256537  ?              ?        
1 1 1 17  17 0  f 94.74297 3.607004  -3.087708      7.214008 
1 1 1 17  17 1  o 66.47727 4.310122  -16.52885      8.620244 
1 1 1 17  17 2  o 74.12636 4.250559  5.969292       8.501118 
1 1 1 17  17 3  o 51.71893 4.826196  -11.46363      9.652392 
1 1 1 17  17 4  o 59.58324 4.483492  13.43547       8.966985 
1 1 1 17  17 5  o 36.82718 8.385464  ?              ?        
1 1 1 17  17 6  o 71.41792 5.315457  ?              ?        
1 1 1 17  17 7  o 43.96680 6.584578  ?              ?        
1 1 1 17  17 8  o 21.69644 7.043609  ?              ?        
1 1 1 17  17 9  o 13.39149 5.958962  ?              ?        
1 1 1 17  17 10 f 65.50723 3.666819  ?              ?        
1 1 1 17  17 11 o 48.32203 4.053905  ?              ?        
1 1 1 17  17 12 o 37.53313 4.092629  ?              ?        
1 1 1 17  17 13 o 10.58293 4.821996  ?              ?        
1 1 1 17  17 14 o 29.97136 3.595254  ?              ?        
1 1 1 17  17 15 o 12.54373 5.567205  ?              ?        
1 1 1 17  17 16 o 25.00096 6.412022  ?              ?        
1 1 1 17  17 17 o 10.47379 4.851472  ?              ?        
1 1 1 17  17 18 o 10.66500 4.537313  ?              ?        
1 1 1 17  18 0  o 67.15271 5.986451  19.30094       11.97290 
1 1 1 17  18 1  o 48.83944 5.451392  20.60064       10.90278 
1 1 1 17  18 2  o 46.68472 5.248422  -3.470215      10.49684 
1 1 1 17  18 3  o 23.26083 6.119474  -8.406805      12.23895 
1 1 1 17  18 4  o 67.93056 5.465327  ?              ?        
1 1 1 17  18 5  o 58.39514 5.766737  ?              ?        
1 1 1 17  18 6  o 14.57317 6.549485  ?              ?        
1 1 1 17  18 7  o 22.74308 6.718947  ?              ?        
1 1 1 17  18 8  o 30.68486 7.546071  ?              ?        
1 1 1 17  18 9  o 14.61280 6.539647  ?              ?        
1 1 1 17  18 10 o 42.14784 5.468284  ?              ?        
1 1 1 17  18 11 o 41.25938 5.350529  ?              ?        
1 1 1 17  18 12 o 10.88318 5.112914  ?              ?        
1 1 1 17  18 13 o 22.71643 5.987533  ?              ?        
1 1 1 17  18 14 o 34.33978 4.815056  ?              ?        
1 1 1 17  18 15 o 22.16224 5.944322  ?              ?        
1 1 1 17  18 16 o 35.08176 4.587825  ?              ?        
1 1 1 17  18 17 o 20.25608 5.956982  ?              ?        
1 1 1 17  19 0  o 39.49814 5.522257  -1.894058      11.04451 
1 1 1 17  19 1  o 48.21776 5.000981  7.198792       10.00196 
1 1 1 17  19 2  o 42.98940 5.410221  -16.17245      10.82044 
1 1 1 17  19 3  x ?        ?         ?              ?        
1 1 1 17  19 4  o 33.20283 7.783185  ?              ?        
1 1 1 17  19 5  o 16.33132 7.019259  ?              ?        
1 1 1 17  19 6  o 59.28648 5.020441  ?              ?        
1 1 1 17  19 7  f 20.82054 6.840593  ?              ?        
1 1 1 17  19 8  o 27.42934 6.201343  ?              ?        
1 1 1 17  19 9  o 21.45887 6.194881  ?              ?        
1 1 1 17  19 10 o 27.78282 5.467962  ?              ?        
1 1 1 17  19 11 f 16.61126 5.653318  ?              ?        
1 1 1 17  19 12 o 16.22836 5.434190  ?              ?        
1 1 1 17  19 13 o 29.19442 4.036014  ?              ?        
1 1 1 17  19 14 o 18.92915 5.339995  ?              ?        
1 1 1 17  19 15 o 22.97437 4.718508  ?              ?        
1 1 1 17  20 0  o 18.81769 5.554337  -0.6448841     11.10867 
1 1 1 17  20 1  o 20.57564 5.632194  3.355785       11.26439 
1 1 1 17  20 2  o 22.52954 6.149551  0.7502384      12.29910 
1 1 1 17  20 3  x ?        ?         ?              ?        
1 1 1 17  20 4  o 37.76855 6.214799  ?              ?        
1 1 1 17  20 5  o 66.50898 4.822241  ?              ?        
1 1 1 17  20 6  o 21.48078 7.273313  ?              ?        
1 1 1 17  20 7  f 40.43723 6.420772  ?              ?        
1 1 1 17  20 8  f 31.34455 8.192018  ?              ?        
1 1 1 17  20 9  o 17.70485 5.644937  ?              ?        
1 1 1 17  20 10 o 11.65026 4.975680  ?              ?        
1 1 1 17  20 11 o 50.79864 3.152605  ?              ?        
1 1 1 17  20 12 o 20.42085 5.204042  ?              ?        
1 1 1 17  20 13 o 23.54078 4.972331  ?              ?        
1 1 1 17  20 14 o 31.44048 3.676075  ?              ?        
1 1 1 17  21 0  o 19.58823 5.490671  -0.3089142E-01 10.98134 
1 1 1 17  21 1  o 40.35101 5.075689  -1.591255      10.15138 
1 1 1 17  21 2  o 20.96818 7.383486  ?              ?        
1 1 1 17  21 3  o 50.92606 5.323390  ?              ?        
1 1 1 17  21 4  o 37.21445 5.712859  ?              ?        
1 1 1 17  21 5  o 19.88193 7.112258  ?              ?        
1 1 1 17  21 6  o 10.88789 5.015785  ?              ?        
1 1 1 17  21 7  o 29.21472 4.540999  ?              ?        
1 1 1 17  21 8  o 13.58589 5.378283  ?              ?        
1 1 1 17  21 9  o 53.46865 3.269707  ?              ?        
1 1 1 17  21 10 o 30.86789 4.106421  ?              ?        
1 1 1 17  21 11 o 11.93762 4.974029  ?              ?        
1 1 1 17  21 12 o 21.56012 5.270376  ?              ?        
1 1 1 17  22 0  o 15.48960 4.707365  -2.432915      9.414729 
1 1 1 17  22 1  o 11.42948 5.480815  ?              ?        
1 1 1 17  22 2  o 31.36213 7.097845  ?              ?        
1 1 1 17  22 3  o 25.75840 7.612090  ?              ?        
1 1 1 17  22 4  o 17.43939 6.683375  ?              ?        
1 1 1 17  22 5  o 19.99332 6.949449  ?              ?        
1 1 1 17  22 6  o 10.92396 5.018692  ?              ?        
1 1 1 17  22 7  o 50.34925 4.631170  ?              ?        
1 1 1 17  22 8  o 45.02182 4.879879  ?              ?        
1 1 1 17  22 9  o 11.51493 5.294722  ?              ?        
1 1 1 17  22 10 o 10.50226 4.779311  ?              ?        
1 1 1 17  22 11 o 15.77606 5.603237  ?              ?        
1 1 1 17  23 0  x ?        ?         ?              ?        
1 1 1 17  23 1  x ?        ?         ?              ?        
1 1 1 17  23 2  x ?        ?         ?              ?        
1 1 1 17  23 3  o 18.04631 6.849607  ?              ?        
1 1 1 17  23 4  o 19.99308 6.987926  ?              ?        
1 1 1 17  23 5  o 22.93504 5.388896  ?              ?        
1 1 1 17  23 6  o 34.10058 4.345590  ?              ?        
1 1 1 17  23 7  o 42.78923 3.544811  ?              ?        
1 1 1 17  23 8  o 11.68755 5.003625  ?              ?        
1 1 1 17  24 0  o 17.57385 6.508708  ?              ?        
1 1 1 17  24 1  o 18.06929 6.687235  ?              ?        
1 1 1 17  24 2  o 20.64922 6.998761  ?              ?        
1 1 1 17  24 3  o 14.42858 6.259627  ?              ?        
1 1 1 17  24 4  o 12.46112 5.206415  ?              ?        
1 1 1 17  24 5  o 20.15602 6.992336  ?              ?        
1 1 1 17  24 6  x ?        ?         ?              ?        
1 1 1 17  25 0  o 26.30791 6.646573  ?              ?        
1 1 1 17  25 1  o 8.528111 4.249537  ?              ?        
1 1 1 17  25 2  o 16.31845 6.290508  ?              ?        
1 1 1 18  0  0  o 120.1711 2.354222  -0.000000      0.000000 
1 1 1 18  0  1  o 184.8273 2.924816  -0.000000      0.000000 
1 1 1 18  0  2  o 6.193151 4.328200  -0.000000      0.000000 
1 1 1 18  0  3  o 26.60855 4.076148  -0.000000      0.000000 
1 1 1 18  0  4  o 65.35431 2.340186  -0.000000      0.000000 
1 1 1 18  0  5  o 8.057502 5.111283  -0.000000      0.000000 
1 1 1 18  0  6  f 11.00858 6.093584  -0.000000      0.000000 
1 1 1 18  0  7  o 128.8258 3.233902  -0.000000      0.000000 
1 1 1 18  0  8  o 14.38122 6.741253  -0.000000      0.000000 
1 1 1 18  0  9  o 51.72618 2.759305  -0.000000      0.000000 
1 1 1 18  0  10 x ?        ?         ?              ?        
1 1 1 18  0  11 x ?        ?         ?              ?        
1 1 1 18  0  12 x ?        ?         ?              ?        
1 1 1 18  0  13 x ?        ?         ?              ?        
1 1 1 18  0  14 x ?        ?         ?              ?        
1 1 1 18  0  15 x ?        ?         ?              ?        
1 1 1 18  0  16 x ?        ?         ?              ?        
1 1 1 18  0  17 x ?        ?         ?              ?        
1 1 1 18  0  18 x ?        ?         ?              ?        
1 1 1 18  0  19 x ?        ?         ?              ?        
1 1 1 18  0  20 x ?        ?         ?              ?        
1 1 1 18  0  21 x ?        ?         ?              ?        
1 1 1 18  0  22 x ?        ?         ?              ?        
1 1 1 18  0  23 x ?        ?         ?              ?        
1 1 1 18  0  24 x ?        ?         ?              ?        
1 1 1 18  1  0  o 152.8196 2.254617  -2.108673      4.509233 
1 1 1 18  1  1  o 123.9725 1.676356  -2.942192      3.352712 
1 1 1 18  1  2  o 76.36951 1.621370  -3.697578      3.242739 
1 1 1 18  1  3  o 141.5568 1.790633  -1.507156      3.581267 
1 1 1 18  1  4  o 42.01128 2.081280  -4.262421      4.162561 
1 1 1 18  1  5  o 38.25412 2.012122  2.265877       4.024243 
1 1 1 18  1  6  o 88.51718 2.195867  2.590820       4.391735 
1 1 1 18  1  7  o 70.54591 1.945852  -4.132347      3.891705 
1 1 1 18  1  8  o 98.21691 1.969683  -2.500793      3.939367 
1 1 1 18  1  9  o 73.17189 1.829555  -4.808678      3.659109 
1 1 1 18  1  10 o 88.75143 2.398770  ?              ?        
1 1 1 18  1  11 x ?        ?         ?              ?        
1 1 1 18  1  12 x ?        ?         ?              ?        
1 1 1 18  1  13 x ?        ?         ?              ?        
1 1 1 18  1  14 x ?        ?         ?              ?        
1 1 1 18  1  15 x ?        ?         ?              ?        
1 1 1 18  1  16 x ?        ?         ?              ?        
1 1 1 18  1  17 x ?        ?         ?              ?        
1 1 1 18  1  18 x ?        ?         ?              ?        
1 1 1 18  1  19 x ?        ?         ?              ?        
1 1 1 18  1  20 x ?        ?         ?              ?        
1 1 1 18  1  21 x ?        ?         ?              ?        
1 1 1 18  1  22 x ?        ?         ?              ?        
1 1 1 18  1  23 x ?        ?         ?              ?        
1 1 1 18  1  24 x ?        ?         ?              ?        
1 1 1 18  2  0  o 73.61717 2.073224  -1.272469      4.146447 
1 1 1 18  2  1  o 28.23687 2.604060  8.460463       5.208121 
1 1 1 18  2  2  o 165.8636 1.958357  4.198090       3.916713 
1 1 1 18  2  3  o 140.6321 1.780329  -7.853409      3.560657 
1 1 1 18  2  4  o 15.51434 3.695107  3.778214       7.390213 
1 1 1 18  2  5  o 65.54839 1.887287  -2.042488      3.774574 
1 1 1 18  2  6  o 79.53432 1.810884  -1.767494      3.621767 
1 1 1 18  2  7  o 93.43104 3.076856  ?              ?        
1 1 1 18  2  8  o 168.1114 2.385835  13.09811       4.771669 
1 1 1 18  2  9  o 49.75037 1.887627  3.134453       3.775253 
1 1 1 18  2  10 o 55.78223 2.291426  ?              ?        
1 1 1 18  2  11 o 61.62640 1.613277  ?              ?        
1 1 1 18  2  12 x ?        ?         ?              ?        
1 1 1 18  2  13 x ?        ?         ?              ?        
1 1 1 18  2  14 x ?        ?         ?              ?        
1 1 1 18  2  15 x ?        ?         ?              ?        
1 1 1 18  2  16 x ?        ?         ?              ?        
1 1 1 18  2  17 x ?        ?         ?              ?        
1 1 1 18  2  18 x ?        ?         ?              ?        
1 1 1 18  2  19 x ?        ?         ?              ?        
1 1 1 18  2  20 x ?        ?         ?              ?        
1 1 1 18  2  21 x ?        ?         ?              ?        
1 1 1 18  2  22 x ?        ?         ?              ?        
1 1 1 18  2  23 x ?        ?         ?              ?        
1 1 1 18  2  24 x ?        ?         ?              ?        
1 1 1 18  3  0  o 65.57310 2.259413  ?              ?        
1 1 1 18  3  1  o 17.62202 4.015414  15.29396       8.030828 
1 1 1 18  3  2  o 93.46017 1.646951  4.258537       3.293902 
1 1 1 18  3  3  o 83.88492 1.643367  -5.970383      3.286734 
1 1 1 18  3  4  o 66.57320 1.961712  -5.669949      3.923423 
1 1 1 18  3  5  f 36.60050 2.474790  1.165176       4.949581 
1 1 1 18  3  6  o 87.08147 1.604996  ?              ?        
1 1 1 18  3  7  f 174.2586 2.416074  2.803970       4.832147 
1 1 1 18  3  8  o 63.77290 2.026224  3.098717       4.052448 
1 1 1 18  3  9  o 107.0510 1.724198  1.811157       3.448397 
1 1 1 18  3  10 o 45.18846 2.015546  ?              ?        
1 1 1 18  3  11 o 64.55202 1.678984  ?              ?        
1 1 1 18  3  12 o 94.76866 1.733827  ?              ?        
1 1 1 18  3  13 x ?        ?         ?              ?        
1 1 1 18  3  14 x ?        ?         ?              ?        
1 1 1 18  3  15 x ?        ?         ?              ?        
1 1 1 18  3  16 x ?        ?         ?              ?        
1 1 1 18  3  17 x ?        ?         ?              ?        
1 1 1 18  3  18 x ?        ?         ?              ?        
1 1 1 18  3  19 x ?        ?         ?              ?        
1 1 1 18  3  20 x ?        ?         ?              ?        
1 1 1 18  3  21 x ?        ?         ?              ?        
1 1 1 18  3  22 x ?        ?         ?              ?        
1 1 1 18  3  23 x ?        ?         ?              ?        
1 1 1 18  3  24 x ?        ?         ?              ?        
1 1 1 18  4  0  o 80.28606 2.013195  -4.994781      4.026390 
1 1 1 18  4  1  o 43.21416 2.164714  4.674290       4.329429 
1 1 1 18  4  2  o 144.2443 2.299894  0.8377533      4.599787 
1 1 1 18  4  3  o 29.72179 3.598465  -6.924622      7.196931 
1 1 1 18  4  4  o 37.64130 2.568038  9.348164       5.136075 
1 1 1 18  4  5  o 37.32609 2.553437  ?              ?        
1 1 1 18  4  6  o 111.8761 2.118787  7.062050       4.237574 
1 1 1 18  4  7  o 90.63610 1.845729  -6.053650      3.691458 
1 1 1 18  4  8  o 58.43150 1.995961  -3.761829      3.991923 
1 1 1 18  4  9  o 57.01088 1.892321  0.3114967      3.784641 
1 1 1 18  4  10 o 22.29184 2.585489  ?              ?        
1 1 1 18  4  11 o 92.25344 2.143122  ?              ?        
1 1 1 18  4  12 o 89.85423 1.691328  ?              ?        
1 1 1 18  4  13 o 147.2265 2.240088  ?              ?        
1 1 1 18  4  14 o 65.08006 1.430029  ?              ?        
1 1 1 18  4  15 x ?        ?         ?              ?        
1 1 1 18  4  16 x ?        ?         ?              ?        
1 1 1 18  4  17 x ?        ?         ?              ?        
1 1 1 18  4  18 x ?        ?         ?              ?        
1 1 1 18  4  19 x ?        ?         ?              ?        
1 1 1 18  4  20 x ?        ?         ?              ?        
1 1 1 18  4  21 x ?        ?         ?              ?        
1 1 1 18  4  22 x ?        ?         ?              ?        
1 1 1 18  4  23 x ?        ?         ?              ?        
1 1 1 18  4  24 x ?        ?         ?              ?        
1 1 1 18  5  0  o 114.7135 2.138880  -7.847740      4.277759 
1 1 1 18  5  1  o 78.90918 2.460027  3.141464       4.920053 
1 1 1 18  5  2  o 92.49934 2.210413  -0.2660522     4.420825 
1 1 1 18  5  3  o 45.31047 2.565186  6.882923       5.130373 
1 1 1 18  5  4  f 30.15580 3.504374  -4.527489      7.008749 
1 1 1 18  5  5  o 157.3622 3.508082  ?              ?        
1 1 1 18  5  6  o 102.2853 2.039788  -1.525238      4.079577 
1 1 1 18  5  7  o 178.2506 2.572353  ?              ?        
1 1 1 18  5  8  o 59.32554 1.935364  1.897633       3.870728 
1 1 1 18  5  9  o 117.6695 2.201283  -7.211365      4.402565 
1 1 1 18  5  10 o 61.84314 1.465903  ?              ?        
1 1 1 18  5  11 o 50.17892 1.767086  ?              ?        
1 1 1 18  5  12 o 50.51312 2.129868  ?              ?        
1 1 1 18  5  13 o 12.56348 4.730266  ?              ?        
1 1 1 18  5  14 o 82.23408 1.839499  ?              ?        
1 1 1 18  5  15 o 73.95757 1.705222  ?              ?        
1 1 1 18  5  16 o 41.64969 1.429151  ?              ?        
1 1 1 18  5  17 x ?        ?         ?              ?        
1 1 1 18  5  18 x ?        ?         ?              ?        
1 1 1 18  5  19 x ?        ?         ?              ?        
1 1 1 18  5  20 x ?        ?         ?              ?        
1 1 1 18  5  21 x ?        ?         ?              ?        
1 1 1 18  5  22 x ?        ?         ?              ?        
1 1 1 18  5  23 x ?        ?         ?              ?        
1 1 1 18  5  24 x ?        ?         ?              ?        
1 1 1 18  6  0  o 39.31012 3.222313  8.616764       6.444627 
1 1 1 18  6  1  o 164.5786 2.920257  6.388229       5.840514 
1 1 1 18  6  2  o 52.54305 2.975884  -4.022011      5.951768 
1 1 1 18  6  3  o 65.69252 2.438160  3.047905       4.876320 
1 1 1 18  6  4  o 37.84460 3.197229  -2.099743      6.394457 
1 1 1 18  6  5  o 63.46090 2.342168  1.228146       4.684336 
1 1 1 18  6  6  o 153.7531 2.534182  8.758743       5.068365 
1 1 1 18  6  7  o 79.40211 2.109153  -1.563499      4.218306 
1 1 1 18  6  8  o 134.8925 2.226518  ?              ?        
1 1 1 18  6  9  o 135.7552 2.205740  -1.530365      4.411481 
1 1 1 18  6  10 o 89.82320 3.083662  ?              ?        
1 1 1 18  6  11 o 118.6806 1.775174  ?              ?        
1 1 1 18  6  12 o 8.556414 3.461149  ?              ?        
1 1 1 18  6  13 o 73.81268 3.998314  ?              ?        
1 1 1 18  6  14 o 89.39455 2.331264  ?              ?        
1 1 1 18  6  15 o 53.89081 2.414700  ?              ?        
1 1 1 18  6  16 o 19.61232 5.482323  ?              ?        
1 1 1 18  6  17 o 23.90501 3.135303  ?              ?        
1 1 1 18  6  18 o 47.35369 1.756169  ?              ?        
1 1 1 18  6  19 o 12.57716 3.768824  ?              ?        
1 1 1 18  6  20 x ?        ?         ?              ?        
1 1 1 18  6  21 x ?        ?         ?              ?        
1 1 1 18  6  22 x ?        ?         ?              ?        
1 1 1 18  6  23 x ?        ?         ?              ?        
1 1 1 18  6  24 x ?        ?         ?              ?        
1 1 1 18  7  0  o 163.1216 2.677781  -1.496384      5.355562 
1 1 1 18  7  1  o 74.80231 2.541183  -14.00511      5.082366 
1 1 1 18  7  2  o 52.33684 2.761999  5.012383       5.523997 
1 1 1 18  7  3  o 18.31953 7.398554  ?              ?        
1 1 1 18  7  4  o 73.91603 2.416177  0.6561356      4.832355 
1 1 1 18  7  5  o 66.16954 2.502457  0.1137619      5.004915 
1 1 1 18  7  6  o 87.74428 2.301305  10.42364       4.602611 
1 1 1 18  7  7  o 43.42262 2.895082  -1.295055      5.790164 
1 1 1 18  7  8  o 93.19110 2.176236  3.233147       4.352471 
1 1 1 18  7  9  o 60.09592 2.167351  ?              ?        
1 1 1 18  7  10 o 116.8628 1.971561  ?              ?        
1 1 1 18  7  11 o 17.91710 4.177308  ?              ?        
1 1 1 18  7  12 o 52.60592 1.772555  ?              ?        
1 1 1 18  7  13 o 130.0928 1.953893  ?              ?        
1 1 1 18  7  14 f 44.57909 1.196494  ?              ?        
1 1 1 18  7  15 o 15.17091 5.823269  ?              ?        
1 1 1 18  7  16 o 60.67618 2.602196  ?              ?        
1 1 1 18  7  17 o 46.12944 3.639659  ?              ?        
1 1 1 18  7  18 o 12.19019 4.614255  ?              ?        
1 1 1 18  7  19 o 17.39582 4.241028  ?              ?        
1 1 1 18  7  20 o 19.69511 5.073446  ?              ?        
1 1 1 18  7  21 x ?        ?         ?              ?        
1 1 1 18  7  22 x ?        ?         ?              ?        
1 1 1 18  7  23 x ?        ?         ?              ?        
1 1 1 18  8  0  o 47.03056 5.511746  ?              ?        
1 1 1 18  8  1  o 21.06996 4.945620  7.531088       9.891239 
1 1 1 18  8  2  o 29.72703 3.938099  ?              ?        
1 1 1 18  8  3  o 54.99808 2.851369  3.495361       5.702738 
1 1 1 18  8  4  f 109.1796 2.925532  5.107994       5.851065 
1 1 1 18  8  5  o 22.69387 4.983376  1.914301       9.966751 
1 1 1 18  8  6  o 31.03144 4.171362  10.54314       8.342725 
1 1 1 18  8  7  o 91.29233 2.395058  8.644646       4.790116 
1 1 1 18  8  8  o 47.25323 2.875617  -3.482868      5.751233 
1 1 1 18  8  9  o 26.11705 4.235347  ?              ?        
1 1 1 18  8  10 o 19.62928 4.962080  ?              ?        
1 1 1 18  8  11 o 21.52838 4.806974  ?              ?        
1 1 1 18  8  12 o 34.78708 2.957024  ?              ?        
1 1 1 18  8  13 o 68.60654 3.180896  ?              ?        
1 1 1 18  8  14 f 79.48389 1.871650  ?              ?        
1 1 1 18  8  15 o 95.97284 1.492306  ?              ?        
1 1 1 18  8  16 o 22.79802 5.658637  ?              ?        
1 1 1 18  8  17 o 34.42338 3.375445  ?              ?        
1 1 1 18  8  18 o 11.58672 4.818268  ?              ?        
1 1 1 18  8  19 o 10.12210 4.247391  ?              ?        
1 1 1 18  8  20 o 43.85979 2.235687  ?              ?        
1 1 1 18  8  21 x ?        ?         ?              ?        
1 1 1 18  8  22 x ?        ?         ?              ?        
1 1 1 18  8  23 x ?        ?         ?              ?        
1 1 1 18  9  0  o 106.4167 2.653234  -0.1836853     5.306469 
1 1 1 18  9  1  o 106.6812 2.607373  1.398720       5.214746 
1 1 1 18  9  2  o 207.4131 3.182719  2.592606       6.365438 
1 1 1 18  9  3  o 72.56106 2.750446  ?              ?        
1 1 1 18  9  4  o 42.34952 3.425599  11.19357       6.851198 
1 1 1 18  9  5  o 38.23091 3.748997  1.300110       7.497994 
1 1 1 18  9  6  o 71.01199 3.331308  12.22045       6.662615 
1 1 1 18  9  7  o 29.79031 4.475713  -3.153563      8.951427 
1 1 1 18  9  8  o 46.75850 3.412394  0.2502747      6.824787 
1 1 1 18  9  9  o 36.09328 4.091669  ?              ?        
1 1 1 18  9  10 o 96.04634 2.328066  ?              ?        
1 1 1 18  9  11 o 34.47072 3.751717  ?              ?        
1 1 1 18  9  12 o 69.38760 2.787040  ?              ?        
1 1 1 18  9  13 o 59.16375 2.728307  ?              ?        
1 1 1 18  9  14 o 78.49129 2.093920  ?              ?        
1 1 1 18  9  15 f 33.14063 3.418705  ?              ?        
1 1 1 18  9  16 f 79.67796 2.037537  ?              ?        
1 1 1 18  9  17 o 42.27842 1.580397  ?              ?        
1 1 1 18  9  18 o 36.25783 1.878174  ?              ?        
1 1 1 18  9  19 f 18.29635 4.791992  ?              ?        
1 1 1 18  9  20 o 14.10542 4.750554  ?              ?        
1 1 1 18  9  21 x ?        ?         ?              ?        
1 1 1 18  9  22 x ?        ?         ?              ?        
1 1 1 18  10 0  o 37.60084 3.972917  9.351028       7.945833 
1 1 1 18  10 1  o 74.86446 2.878745  -0.1569977     5.757491 
1 1 1 18  10 2  o 103.1385 2.726143  4.223404       5.452285 
1 1 1 18  10 3  o 82.31021 2.792361  3.296669       5.584721 
1 1 1 18  10 4  o 57.36316 5.257305  ?              ?        
1 1 1 18  10 5  o 14.59036 6.011535  ?              ?        
1 1 1 18  10 6  o 23.30227 5.083055  13.98917       10.16611 
1 1 1 18  10 7  o 24.74097 4.972727  -5.128582      9.945454 
1 1 1 18  10 8  o 46.77383 7.440095  ?              ?        
1 1 1 18  10 9  o 73.57846 3.215851  ?              ?        
1 1 1 18  10 10 o 85.06104 2.600253  ?              ?        
1 1 1 18  10 11 o 85.32875 2.895596  ?              ?        
1 1 1 18  10 12 o 94.02056 2.836385  ?              ?        
1 1 1 18  10 13 o 35.06125 3.566784  ?              ?        
1 1 1 18  10 14 o 26.92477 4.027300  ?              ?        
1 1 1 18  10 15 o 14.99166 5.233050  ?              ?        
1 1 1 18  10 16 o 51.68674 2.292269  ?              ?        
1 1 1 18  10 17 o 66.79285 1.730834  ?              ?        
1 1 1 18  10 18 o 34.39597 2.881622  ?              ?        
1 1 1 18  10 19 x ?        ?         ?              ?        
1 1 1 18  10 20 o 10.24763 4.672690  ?              ?        
1 1 1 18  10 21 x ?        ?         ?              ?        
1 1 1 18  10 22 x ?        ?         ?              ?        
1 1 1 18  11 0  o 93.09835 2.955422  -3.980515      5.910844 
1 1 1 18  11 1  o 54.84311 5.915581  ?              ?        
1 1 1 18  11 2  o 71.23363 3.190367  -6.652336      6.380734 
1 1 1 18  11 3  o 103.6733 2.853904  9.795006       5.707808 
1 1 1 18  11 4  f 49.92146 6.717191  ?              ?        
1 1 1 18  11 5  o 79.21268 2.937973  -8.570900      5.875945 
1 1 1 18  11 6  o 57.19572 3.330612  5.153316       6.661224 
1 1 1 18  11 7  o 54.57734 3.898668  ?              ?        
1 1 1 18  11 8  o 69.49670 3.531323  ?              ?        
1 1 1 18  11 9  o 64.28577 3.734830  ?              ?        
1 1 1 18  11 10 o 39.36631 5.647180  ?              ?        
1 1 1 18  11 11 o 81.21138 2.735484  ?              ?        
1 1 1 18  11 12 o 49.81301 3.104091  ?              ?        
1 1 1 18  11 13 o 52.54115 2.877646  ?              ?        
1 1 1 18  11 14 o 45.54360 3.374698  ?              ?        
1 1 1 18  11 15 o 25.61073 4.688548  ?              ?        
1 1 1 18  11 16 o 27.52909 3.896991  ?              ?        
1 1 1 18  11 17 o 76.70454 2.118449  ?              ?        
1 1 1 18  11 18 o 22.18104 2.913462  ?              ?        
1 1 1 18  11 19 o 38.90943 4.077152  ?              ?        
1 1 1 18  11 20 o 30.71108 3.978631  ?              ?        
1 1 1 18  11 21 x ?        ?         ?              ?        
1 1 1 18  12 0  o 34.93345 8.239225  ?              ?        
1 1 1 18  12 1  o 105.6166 2.973815  6.293274       5.947631 
1 1 1 18  12 2  o 24.19300 5.533835  -4.119612      11.06767 
1 1 1 18  12 3  o 51.73934 3.797182  26.99061       7.594364 
1 1 1 18  12 4  o 84.17557 3.148664  5.131371       6.297329 
1 1 1 18  12 5  o 35.20605 4.970170  -4.487068      9.940340 
1 1 1 18  12 6  o 88.10981 2.954663  5.108337       5.909327 
1 1 1 18  12 7  o 79.79801 3.069533  3.326096       6.139067 
1 1 1 18  12 8  f 41.03809 5.116922  ?              ?        
1 1 1 18  12 9  f 86.96516 3.551955  ?              ?        
1 1 1 18  12 10 o 52.44642 3.572891  ?              ?        
1 1 1 18  12 11 o 86.56398 2.771451  ?              ?        
1 1 1 18  12 12 o 26.84967 6.168699  ?              ?        
1 1 1 18  12 13 f 57.53458 5.593645  ?              ?        
1 1 1 18  12 14 o 77.84496 2.775372  ?              ?        
1 1 1 18  12 15 o 45.04369 3.011072  ?              ?        
1 1 1 18  12 16 o 26.16227 3.506542  ?              ?        
1 1 1 18  12 17 o 11.98577 4.375021  ?              ?        
1 1 1 18  12 18 f 7.640590 3.449028  ?              ?        
1 1 1 18  12 19 o 11.47120 5.055209  ?              ?        
1 1 1 18  12 20 o 33.04232 4.052082  ?              ?        
1 1 1 18  12 21 x ?        ?         ?              ?        
1 1 1 18  13 0  o 172.1305 3.273203  3.076111       6.546407 
1 1 1 18  13 1  o 48.11863 4.974566  -16.38689      9.949133 
1 1 1 18  13 2  o 44.56173 5.773544  -0.1092644     11.54709 
1 1 1 18  13 3  o 62.56880 3.917674  -7.386414      7.835348 
1 1 1 18  13 4  o 27.81954 6.000692  6.832045       12.00138 
1 1 1 18  13 5  o 27.48690 5.736858  12.68061       11.47372 
1 1 1 18  13 6  o 80.56757 3.130049  1.545303       6.260097 
1 1 1 18  13 7  o 82.83098 3.833692  ?              ?        
1 1 1 18  13 8  o 63.17644 4.290439  ?              ?        
1 1 1 18  13 9  o 41.80003 5.370062  ?              ?        
1 1 1 18  13 10 o 102.8285 3.357019  ?              ?        
1 1 1 18  13 11 o 60.19888 3.731116  ?              ?        
1 1 1 18  13 12 o 54.33117 3.604305  ?              ?        
1 1 1 18  13 13 o 56.57759 3.263743  ?              ?        
1 1 1 18  13 14 o 33.86391 3.763058  ?              ?        
1 1 1 18  13 15 o 51.00996 2.880902  ?              ?        
1 1 1 18  13 16 o 49.09969 4.384821  ?              ?        
1 1 1 18  13 17 o 12.47925 4.368711  ?              ?        
1 1 1 18  13 18 o 9.879710 3.949015  ?              ?        
1 1 1 18  13 19 o 19.04399 5.738692  ?              ?        
1 1 1 18  13 20 o 19.17211 5.763385  ?              ?        
1 1 1 18  14 0  o 55.94938 4.660651  -22.07719      9.321301 
1 1 1 18  14 1  o 100.5887 3.620642  ?              ?        
1 1 1 18  14 2  o 60.37570 6.190144  ?              ?        
1 1 1 18  14 3  o 26.09565 5.904867  -4.425241      11.80973 
1 1 1 18  14 4  o 100.5781 4.007560  -9.654404      8.015120 
1 1 1 18  14 5  o 60.49891 3.757587  -7.788761      7.515174 
1 1 1 18  14 6  o 113.6525 3.066100  7.875450       6.132200 
1 1 1 18  14 7  o 31.35617 8.872441  ?              ?        
1 1 1 18  14 8  o 37.72724 7.208600  ?              ?        
1 1 1 18  14 9  o 22.01512 7.189842  ?              ?        
1 1 1 18  14 10 o 68.59579 3.648631  ?              ?        
1 1 1 18  14 11 o 62.13981 3.647158  ?              ?        
1 1 1 18  14 12 o 49.43714 3.778463  ?              ?        
1 1 1 18  14 13 o 37.75458 4.065423  ?              ?        
1 1 1 18  14 14 o 39.40324 3.622182  ?              ?        
1 1 1 18  14 15 o 22.55510 5.211778  ?              ?        
1 1 1 18  14 16 o 38.67664 3.997516  ?              ?        
1 1 1 18  14 17 o 21.80341 5.562256  ?              ?        
1 1 1 18  14 18 x ?        ?         ?              ?        
1 1 1 18  14 19 x ?        ?         ?              ?        
1 1 1 18  15 0  o 93.48610 3.415667  10.24067       6.831335 
1 1 1 18  15 1  o 43.25182 5.149118  1.707237       10.29824 
1 1 1 18  15 2  o 51.06540 4.884582  -10.60775      9.769164 
1 1 1 18  15 3  o 86.71040 6.936308  ?              ?        
1 1 1 18  15 4  o 68.10567 3.773489  -9.413700      7.546978 
1 1 1 18  15 5  o 95.47771 3.196212  -4.210716      6.392424 
1 1 1 18  15 6  o 21.76963 7.874544  ?              ?        
1 1 1 18  15 7  x ?        ?         ?              ?        
1 1 1 18  15 8  o 47.29768 5.880590  ?              ?        
1 1 1 18  15 9  o 36.02663 5.219897  ?              ?        
1 1 1 18  15 10 o 27.66168 6.170665  ?              ?        
1 1 1 18  15 11 o 21.52521 6.467902  ?              ?        
1 1 1 18  15 12 o 38.34214 4.108287  ?              ?        
1 1 1 18  15 13 o 50.94322 3.408993  ?              ?        
1 1 1 18  15 14 o 34.43153 3.788456  ?              ?        
1 1 1 18  15 15 o 22.49178 4.841313  ?              ?        
1 1 1 18  15 16 o 26.75716 4.302476  ?              ?        
1 1 1 18  15 17 o 29.36547 3.459652  ?              ?        
1 1 1 18  15 18 o 12.81596 5.471877  ?              ?        
1 1 1 18  16 0  o 78.68765 3.914925  -7.095131      7.829851 
1 1 1 18  16 1  o 25.29345 6.351334  1.221844       12.70267 
1 1 1 18  16 2  o 42.98219 5.272661  11.56615       10.54532 
1 1 1 18  16 3  o 30.21939 5.642555  23.89348       11.28511 
1 1 1 18  16 4  f 23.45288 4.624863  -22.49890      9.249726 
1 1 1 18  16 5  f 28.08654 5.664579  4.998056       11.32916 
1 1 1 18  16 6  o 50.96000 5.906752  ?              ?        
1 1 1 18  16 7  o 30.45313 7.770649  ?              ?        
1 1 1 18  16 8  o 26.37962 6.462499  ?              ?        
1 1 1 18  16 9  o 29.95225 6.170257  ?              ?        
1 1 1 18  16 10 o 29.19109 8.695594  ?              ?        
1 1 1 18  16 11 o 34.96355 7.898678  ?              ?        
1 1 1 18  16 12 o 23.91586 5.478888  ?              ?        
1 1 1 18  16 13 o 9.316608 4.423888  ?              ?        
1 1 1 18  16 14 o 29.50518 3.959379  ?              ?        
1 1 1 18  16 15 o 14.09329 5.121173  ?              ?        
1 1 1 18  16 16 o 11.23339 4.682537  ?              ?        
1 1 1 18  16 17 f 11.93165 4.806839  ?              ?        
1 1 1 18  16 18 o 20.08726 6.378023  ?              ?        
1 1 1 18  17 0  o 70.85201 4.025863  -5.361305      8.051725 
1 1 1 18  17 1  o 68.96552 3.930525  2.273262       7.861050 
1 1 1 18  17 2  o 21.93920 5.820823  -4.160013      11.64165 
1 1 1 18  17 3  o 91.90715 3.325488  3.551384       6.650977 
1 1 1 18  17 4  o 23.52719 5.624645  -7.626764      11.24929 
1 1 1 18  17 5  o 42.22449 6.472884  ?              ?        
1 1 1 18  17 6  o 88.29864 4.530044  ?              ?        
1 1 1 18  17 7  o 21.94104 8.007261  ?              ?        
1 1 1 18  17 8  o 22.53280 6.550097  ?              ?        
1 1 1 18  17 9  o 28.72049 5.761422  ?              ?        
1 1 1 18  17 10 o 68.82561 3.375848  ?              ?        
1 1 1 18  17 11 o 11.06471 4.959955  ?              ?        
1 1 1 18  17 12 o 15.01070 5.498592  ?              ?        
1 1 1 18  17 13 o 21.68892 4.972988  ?              ?        
1 1 1 18  17 14 o 30.99262 3.649693  ?              ?        
1 1 1 18  17 15 o 10.81136 4.980387  ?              ?        
1 1 1 18  17 16 o 25.13459 6.561522  ?              ?        
1 1 1 18  18 0  o 26.36142 6.564829  -18.66587      13.12966 
1 1 1 18  18 1  o 91.76663 4.504851  17.30594       9.009703 
1 1 1 18  18 2  o 56.02392 4.628360  1.973099       9.256721 
1 1 1 18  18 3  o 37.79742 5.625209  5.375137       11.25042 
1 1 1 18  18 4  o 16.79378 7.194638  ?              ?        
1 1 1 18  18 5  o 52.94358 5.434711  ?              ?        
1 1 1 18  18 6  o 52.31157 5.194123  ?              ?        
1 1 1 18  18 7  o 31.96537 6.643347  ?              ?        
1 1 1 18  18 8  o 40.18744 4.611291  ?              ?        
1 1 1 18  18 9  o 49.87593 3.852753  ?              ?        
1 1 1 18  18 10 o 14.52086 5.787872  ?              ?        
1 1 1 18  18 11 f 13.50793 5.850021  ?              ?        
1 1 1 18  18 12 o 16.22629 6.279208  ?              ?        
1 1 1 18  18 13 o 17.62716 6.199077  ?              ?        
1 1 1 18  18 14 o 10.37080 4.807803  ?              ?        
1 1 1 18  18 15 o 26.75570 5.730693  ?              ?        
1 1 1 18  19 0  o 17.72320 7.002344  ?              ?        
1 1 1 18  19 1  o 47.36561 4.213545  6.468105       8.427090 
1 1 1 18  19 2  o 62.77514 4.685543  12.04453       9.371085 
1 1 1 18  19 3  o 25.64188 5.622912  15.87929       11.24582 
1 1 1 18  19 4  x ?        ?         ?              ?        
1 1 1 18  19 5  o 55.01068 5.110373  ?              ?        
1 1 1 18  19 6  o 12.37706 5.724945  ?              ?        
1 1 1 18  19 7  o 55.43079 3.526768  ?              ?        
1 1 1 18  19 8  o 61.73868 3.477137  ?              ?        
1 1 1 18  19 9  o 24.96302 5.557125  ?              ?        
1 1 1 18  19 10 o 30.21078 4.221652  ?              ?        
1 1 1 18  19 11 o 33.99644 3.903898  ?              ?        
1 1 1 18  19 12 o 10.62088 4.759036  ?              ?        
1 1 1 18  19 13 o 46.41359 3.084890  ?              ?        
1 1 1 18  19 14 o 43.98511 3.161545  ?              ?        
1 1 1 18  20 0  o 40.30140 4.679771  2.481686       9.359543 
1 1 1 18  20 1  o 49.91201 4.089841  5.092255       8.179683 
1 1 1 18  20 2  o 23.60256 5.794582  0.1251431      11.58916 
1 1 1 18  20 3  o 40.85009 5.774371  ?              ?        
1 1 1 18  20 4  o 63.59854 4.723530  ?              ?        
1 1 1 18  20 5  o 11.74816 5.547005  ?              ?        
1 1 1 18  20 6  o 41.69527 5.514638  ?              ?        
1 1 1 18  20 7  o 33.95258 4.608352  ?              ?        
1 1 1 18  20 8  o 13.12347 5.973014  ?              ?        
1 1 1 18  20 9  o 27.47556 7.284914  ?              ?        
1 1 1 18  20 10 o 52.06378 3.285619  ?              ?        
1 1 1 18  20 11 o 9.073215 4.255065  ?              ?        
1 1 1 18  20 12 o 12.56273 5.015188  ?              ?        
1 1 1 18  20 13 o 11.58572 4.855203  ?              ?        
1 1 1 18  21 0  o 22.82729 5.232062  7.770220       10.46412 
1 1 1 18  21 1  o 16.13126 4.682378  -5.456182      9.364756 
1 1 1 18  21 2  o 20.69792 7.042186  ?              ?        
1 1 1 18  21 3  o 11.33966 5.335479  ?              ?        
1 1 1 18  21 4  o 12.88412 5.848652  ?              ?        
1 1 1 18  21 5  o 13.00048 5.845530  ?              ?        
1 1 1 18  21 6  o 18.57840 6.013659  ?              ?        
1 1 1 18  21 7  o 23.53803 5.739732  ?              ?        
1 1 1 18  21 8  o 26.97326 5.024130  ?              ?        
1 1 1 18  21 9  o 16.13908 5.444006  ?              ?        
1 1 1 18  21 10 o 10.68461 4.702229  ?              ?        
1 1 1 18  21 11 o 29.87556 4.093530  ?              ?        
1 1 1 18  22 0  o 41.42656 4.188244  4.922318       8.376488 
1 1 1 18  22 1  x ?        ?         ?              ?        
1 1 1 18  22 2  o 18.83550 6.805848  ?              ?        
1 1 1 18  22 3  o 12.41693 5.784420  ?              ?        
1 1 1 18  22 4  f 15.49877 6.489113  ?              ?        
1 1 1 18  22 5  o 20.25263 6.778788  ?              ?        
1 1 1 18  22 6  o 31.37891 4.450350  ?              ?        
1 1 1 18  22 7  o 18.27929 6.448529  ?              ?        
1 1 1 18  22 8  o 13.93961 6.044378  ?              ?        
1 1 1 18  22 9  o 21.76528 6.779523  ?              ?        
1 1 1 18  23 0  o 17.17892 4.688313  3.197812       9.376626 
1 1 1 18  23 1  x ?        ?         ?              ?        
1 1 1 18  23 2  x ?        ?         ?              ?        
1 1 1 18  23 3  o 17.65494 6.557318  ?              ?        
1 1 1 18  23 4  o 12.03625 5.436372  ?              ?        
1 1 1 18  23 5  o 37.67870 3.764877  ?              ?        
1 1 1 18  23 6  o 29.04563 4.226423  ?              ?        
1 1 1 18  23 7  o 36.61419 4.016273  ?              ?        
1 1 1 18  24 0  o 23.22759 7.060949  ?              ?        
1 1 1 18  24 1  o 19.22035 6.325118  ?              ?        
1 1 1 18  24 2  o 12.90786 5.684380  ?              ?        
1 1 1 18  24 3  o 17.70285 6.445826  ?              ?        
1 1 1 19  0  0  o 295.9267 5.984272  -0.000000      0.000000 
1 1 1 19  0  1  o 70.98813 2.366769  -0.000000      0.000000 
1 1 1 19  0  2  o 88.46063 2.328614  -0.000000      0.000000 
1 1 1 19  0  3  o 89.76088 2.365935  -0.000000      0.000000 
1 1 1 19  0  4  o 6.825081 4.744301  -0.000000      0.000000 
1 1 1 19  0  5  o 45.81438 2.759350  -0.000000      0.000000 
1 1 1 19  0  6  o 131.6525 2.554004  -0.000000      0.000000 
1 1 1 19  0  7  o 10.51831 6.359347  -0.000000      0.000000 
1 1 1 19  0  8  o 72.36564 2.970473  -0.000000      0.000000 
1 1 1 19  0  9  o 44.33776 3.316453  -0.000000      0.000000 
1 1 1 19  0  10 o 17.48557 6.422441  -0.000000      0.000000 
1 1 1 19  0  11 x ?        ?         ?              ?        
1 1 1 19  0  12 x ?        ?         ?              ?        
1 1 1 19  0  13 x ?        ?         ?              ?        
1 1 1 19  0  14 x ?        ?         ?              ?        
1 1 1 19  0  15 x ?        ?         ?              ?        
1 1 1 19  0  16 x ?        ?         ?              ?        
1 1 1 19  0  17 x ?        ?         ?              ?        
1 1 1 19  0  18 x ?        ?         ?              ?        
1 1 1 19  0  19 x ?        ?         ?              ?        
1 1 1 19  0  20 x ?        ?         ?              ?        
1 1 1 19  0  21 x ?        ?         ?              ?        
1 1 1 19  0  22 x ?        ?         ?              ?        
1 1 1 19  0  23 x ?        ?         ?              ?        
1 1 1 19  1  0  o 64.48202 2.030560  4.012180       4.061119 
1 1 1 19  1  1  o 43.97421 2.479320  -5.199909      4.958640 
1 1 1 19  1  2  o 147.5144 1.878140  -0.9518433     3.756281 
1 1 1 19  1  3  o 118.3674 1.721364  3.518150       3.442729 
1 1 1 19  1  4  o 74.68575 2.577985  -0.5398560E-01 5.155970 
1 1 1 19  1  5  o 68.47812 1.683148  -3.739494      3.366296 
1 1 1 19  1  6  o 18.59226 4.815832  ?              ?        
1 1 1 19  1  7  o 99.52372 1.932265  3.275085       3.864530 
1 1 1 19  1  8  f 189.1649 2.904616  -4.075180      5.809231 
1 1 1 19  1  9  o 103.2749 2.038116  -2.671555      4.076232 
1 1 1 19  1  10 o 13.03271 5.163947  ?              ?        
1 1 1 19  1  11 x ?        ?         ?              ?        
1 1 1 19  1  12 x ?        ?         ?              ?        
1 1 1 19  1  13 x ?        ?         ?              ?        
1 1 1 19  1  14 x ?        ?         ?              ?        
1 1 1 19  1  15 x ?        ?         ?              ?        
1 1 1 19  1  16 x ?        ?         ?              ?        
1 1 1 19  1  17 x ?        ?         ?              ?        
1 1 1 19  1  18 x ?        ?         ?              ?        
1 1 1 19  1  19 x ?        ?         ?              ?        
1 1 1 19  1  20 x ?        ?         ?              ?        
1 1 1 19  1  21 x ?        ?         ?              ?        
1 1 1 19  1  22 x ?        ?         ?              ?        
1 1 1 19  1  23 x ?        ?         ?              ?        
1 1 1 19  2  0  o 111.4077 2.774448  ?              ?        
1 1 1 19  2  1  f 60.51304 2.188855  2.550465       4.377709 
1 1 1 19  2  2  o 14.68953 3.619957  -1.608706      7.239914 
1 1 1 19  2  3  o 35.59701 2.355336  -1.335957      4.710673 
1 1 1 19  2  4  o 67.14611 2.709098  1.066360       5.418195 
1 1 1 19  2  5  o 114.1127 2.046987  0.3029709      4.093974 
1 1 1 19  2  6  o 95.91353 1.934667  ?              ?        
1 1 1 19  2  7  o 222.1551 3.353858  2.890106       6.707717 
1 1 1 19  2  8  o 85.87144 1.863603  -0.4151154     3.727205 
1 1 1 19  2  9  o 40.65951 2.348778  -4.492374      4.697556 
1 1 1 19  2  10 o 91.29079 2.574522  ?              ?        
1 1 1 19  2  11 f 110.7821 1.935319  ?              ?        
1 1 1 19  2  12 x ?        ?         ?              ?        
1 1 1 19  2  13 x ?        ?         ?              ?        
1 1 1 19  2  14 x ?        ?         ?              ?        
1 1 1 19  2  15 x ?        ?         ?              ?        
1 1 1 19  2  16 x ?        ?         ?              ?        
1 1 1 19  2  17 x ?        ?         ?              ?        
1 1 1 19  2  18 x ?        ?         ?              ?        
1 1 1 19  2  19 x ?        ?         ?              ?        
1 1 1 19  2  20 x ?        ?         ?              ?        
1 1 1 19  2  21 x ?        ?         ?              ?        
1 1 1 19  2  22 x ?        ?         ?              ?        
1 1 1 19  2  23 x ?        ?         ?              ?        
1 1 1 19  3  0  o 115.9022 1.728889  -6.866531      3.457779 
1 1 1 19  3  1  o 187.2889 2.555210  -4.946045      5.110420 
1 1 1 19  3  2  o 83.89461 2.055732  -10.60326      4.111463 
1 1 1 19  3  3  o 100.6432 1.714116  -0.9950333     3.428232 
1 1 1 19  3  4  o 106.4909 2.472289  ?              ?        
1 1 1 19  3  5  o 89.99887 1.956901  6.655403       3.913803 
1 1 1 19  3  6  o 65.97046 1.959475  -6.629341      3.918950 
1 1 1 19  3  7  o 36.25993 2.462642  11.12124       4.925284 
1 1 1 19  3  8  o 74.79719 3.343846  ?              ?        
1 1 1 19  3  9  o 51.72990 1.930197  -6.410992      3.860394 
1 1 1 19  3  10 o 102.5290 2.491510  ?              ?        
1 1 1 19  3  11 o 31.48037 2.582828  ?              ?        
1 1 1 19  3  12 o 61.01834 1.682608  ?              ?        
1 1 1 19  3  13 x ?        ?         ?              ?        
1 1 1 19  3  14 x ?        ?         ?              ?        
1 1 1 19  3  15 x ?        ?         ?              ?        
1 1 1 19  3  16 x ?        ?         ?              ?        
1 1 1 19  3  17 x ?        ?         ?              ?        
1 1 1 19  3  18 x ?        ?         ?              ?        
1 1 1 19  3  19 x ?        ?         ?              ?        
1 1 1 19  3  20 x ?        ?         ?              ?        
1 1 1 19  3  21 x ?        ?         ?              ?        
1 1 1 19  3  22 x ?        ?         ?              ?        
1 1 1 19  3  23 x ?        ?         ?              ?        
1 1 1 19  4  0  o 96.37349 1.967313  -10.43503      3.934626 
1 1 1 19  4  1  o 150.5872 2.260055  3.865784       4.520111 
1 1 1 19  4  2  o 21.88644 3.547421  0.5093861      7.094843 
1 1 1 19  4  3  o 105.4137 2.113708  -6.802376      4.227416 
1 1 1 19  4  4  f 32.80613 3.316293  1.704409       6.632586 
1 1 1 19  4  5  o 80.42656 2.057314  -5.057961      4.114629 
1 1 1 19  4  6  o 88.48972 1.992469  -6.517754      3.984937 
1 1 1 19  4  7  o 127.3248 1.971755  ?              ?        
1 1 1 19  4  8  o 19.26915 6.770678  ?              ?        
1 1 1 19  4  9  o 58.81026 1.889679  -2.735146      3.779357 
1 1 1 19  4  10 o 40.46986 1.705500  ?              ?        
1 1 1 19  4  11 o 117.6775 2.075640  ?              ?        
1 1 1 19  4  12 o 110.5026 1.932781  ?              ?        
1 1 1 19  4  13 o 37.24913 1.852419  ?              ?        
1 1 1 19  4  14 f 114.3503 1.799348  ?              ?        
1 1 1 19  4  15 x ?        ?         ?              ?        
1 1 1 19  4  16 x ?        ?         ?              ?        
1 1 1 19  4  17 x ?        ?         ?              ?        
1 1 1 19  4  18 x ?        ?         ?              ?        
1 1 1 19  4  19 x ?        ?         ?              ?        
1 1 1 19  4  20 x ?        ?         ?              ?        
1 1 1 19  4  21 x ?        ?         ?              ?        
1 1 1 19  4  22 x ?        ?         ?              ?        
1 1 1 19  4  23 x ?        ?         ?              ?        
1 1 1 19  5  0  o 132.7424 1.982742  3.737076       3.965485 
1 1 1 19  5  1  o 108.1180 2.446256  -11.90536      4.892512 
1 1 1 19  5  2  o 100.9089 2.447303  -8.513382      4.894606 
1 1 1 19  5  3  o 19.48152 4.311642  3.713476       8.623284 
1 1 1 19  5  4  o 74.52944 4.119276  ?              ?        
1 1 1 19  5  5  o 69.72237 2.273110  -7.355171      4.546220 
1 1 1 19  5  6  o 181.3348 2.548344  -12.64059      5.096689 
1 1 1 19  5  7  o 66.43806 2.221914  -3.416229      4.443829 
1 1 1 19  5  8  o 101.0969 2.113196  -1.542664      4.226392 
1 1 1 19  5  9  o 65.05705 2.244056  -9.108864      4.488111 
1 1 1 19  5  10 x ?        ?         ?              ?        
1 1 1 19  5  11 f 43.96085 2.164337  ?              ?        
1 1 1 19  5  12 o 25.27648 3.048608  ?              ?        
1 1 1 19  5  13 o 142.6657 2.992522  ?              ?        
1 1 1 19  5  14 o 35.47664 2.100740  ?              ?        
1 1 1 19  5  15 o 41.21089 1.572405  ?              ?        
1 1 1 19  5  16 x ?        ?         ?              ?        
1 1 1 19  5  17 x ?        ?         ?              ?        
1 1 1 19  5  18 x ?        ?         ?              ?        
1 1 1 19  5  19 x ?        ?         ?              ?        
1 1 1 19  5  20 x ?        ?         ?              ?        
1 1 1 19  5  21 x ?        ?         ?              ?        
1 1 1 19  5  22 x ?        ?         ?              ?        
1 1 1 19  5  23 x ?        ?         ?              ?        
1 1 1 19  6  0  o 27.64473 3.277773  ?              ?        
1 1 1 19  6  1  o 88.58350 2.351726  5.526421       4.703453 
1 1 1 19  6  2  o 89.03029 2.513911  8.084221       5.027821 
1 1 1 19  6  3  o 23.17382 4.273560  0.7554226      8.547119 
1 1 1 19  6  4  o 80.70161 2.399956  -5.131783      4.799911 
1 1 1 19  6  5  o 72.56054 2.367979  -0.7482605     4.735959 
1 1 1 19  6  6  f 17.02913 4.293063  5.868478       8.586125 
1 1 1 19  6  7  o 98.06681 2.128825  -8.341064      4.257650 
1 1 1 19  6  8  o 35.86677 5.752788  ?              ?        
1 1 1 19  6  9  o 58.58490 2.081522  -3.613564      4.163044 
1 1 1 19  6  10 o 110.7610 3.098676  ?              ?        
1 1 1 19  6  11 o 60.25738 1.490381  ?              ?        
1 1 1 19  6  12 o 46.07898 1.558223  ?              ?        
1 1 1 19  6  13 o 91.11414 3.789343  ?              ?        
1 1 1 19  6  14 o 24.85246 3.739237  ?              ?        
1 1 1 19  6  15 o 72.69778 1.937522  ?              ?        
1 1 1 19  6  16 o 25.63606 2.744148  ?              ?        
1 1 1 19  6  17 o 36.80125 1.846870  ?              ?        
1 1 1 19  6  18 o 29.69272 1.702741  ?              ?        
1 1 1 19  6  19 x ?        ?         ?              ?        
1 1 1 19  6  20 x ?        ?         ?              ?        
1 1 1 19  6  21 x ?        ?         ?              ?        
1 1 1 19  6  22 x ?        ?         ?              ?        
1 1 1 19  7  0  o 78.89024 2.526543  -8.969582      5.053087 
1 1 1 19  7  1  o 98.47973 2.283491  ?              ?        
1 1 1 19  7  2  o 85.40053 2.493137  -0.1205063     4.986275 
1 1 1 19  7  3  o 61.10298 2.850553  -9.089771      5.701106 
1 1 1 19  7  4  o 70.46422 2.727333  1.228210       5.454667 
1 1 1 19  7  5  o 105.0796 2.384512  -10.92361      4.769024 
1 1 1 19  7  6  o 47.71416 2.904147  1.220730       5.808295 
1 1 1 19  7  7  o 134.1563 2.431648  7.420868       4.863296 
1 1 1 19  7  8  o 72.21657 2.269797  -5.765938      4.539594 
1 1 1 19  7  9  o 29.32019 3.124736  ?              ?        
1 1 1 19  7  10 o 84.63441 1.911673  ?              ?        
1 1 1 19  7  11 o 52.46201 1.772099  ?              ?        
1 1 1 19  7  12 o 68.64508 1.545674  ?              ?        
1 1 1 19  7  13 o 52.91611 1.475587  ?              ?        
1 1 1 19  7  14 o 33.19289 3.676907  ?              ?        
1 1 1 19  7  15 o 96.16737 2.325331  ?              ?        
1 1 1 19  7  16 o 38.42930 3.782144  ?              ?        
1 1 1 19  7  17 o 24.82395 3.234638  ?              ?        
1 1 1 19  7  18 o 16.88313 3.988246  ?              ?        
1 1 1 19  7  19 o 26.55132 2.537452  ?              ?        
1 1 1 19  7  20 x ?        ?         ?              ?        
1 1 1 19  7  21 x ?        ?         ?              ?        
1 1 1 19  7  22 x ?        ?         ?              ?        
1 1 1 19  8  0  o 96.35710 2.614487  1.034050       5.228974 
1 1 1 19  8  1  f 114.6951 2.579351  -4.909088      5.158702 
1 1 1 19  8  2  o 133.4612 2.774413  3.280716       5.548825 
1 1 1 19  8  3  o 22.23805 7.136693  ?              ?        
1 1 1 19  8  4  o 106.5020 2.520351  2.312279       5.040702 
1 1 1 19  8  5  o 54.07671 3.386492  -0.7677650     6.772983 
1 1 1 19  8  6  o 73.56224 2.903256  2.945259       5.806512 
1 1 1 19  8  7  o 40.04069 3.866851  -8.136387      7.733702 
1 1 1 19  8  8  o 86.55235 2.327171  5.162102       4.654342 
1 1 1 19  8  9  o 41.94364 3.029414  ?              ?        
1 1 1 19  8  10 o 75.09655 2.336839  ?              ?        
1 1 1 19  8  11 o 37.12611 2.754909  ?              ?        
1 1 1 19  8  12 o 51.20214 2.150493  ?              ?        
1 1 1 19  8  13 o 59.91468 3.111809  ?              ?        
1 1 1 19  8  14 o 65.08749 1.639701  ?              ?        
1 1 1 19  8  15 o 16.19295 4.280183  ?              ?        
1 1 1 19  8  16 o 75.11536 2.469803  ?              ?        
1 1 1 19  8  17 o 19.60231 4.561250  ?              ?        
1 1 1 19  8  18 o 22.48828 3.598368  ?              ?        
1 1 1 19  8  19 o 29.92597 2.542199  ?              ?        
1 1 1 19  8  20 x ?        ?         ?              ?        
1 1 1 19  8  21 x ?        ?         ?              ?        
1 1 1 19  8  22 x ?        ?         ?              ?        
1 1 1 19  9  0  f 116.7088 2.705770  -6.449928      5.411540 
1 1 1 19  9  1  o 93.00768 2.738697  2.455269       5.477393 
1 1 1 19  9  2  o 80.83271 2.860029  -1.139069      5.720057 
1 1 1 19  9  3  o 48.78827 5.098928  ?              ?        
1 1 1 19  9  4  o 48.40403 3.381496  ?              ?        
1 1 1 19  9  5  o 52.39444 3.453303  -10.24974      6.906607 
1 1 1 19  9  6  o 37.51124 5.048288  -12.01945      10.09658 
1 1 1 19  9  7  o 48.69484 3.446905  -9.290314      6.893811 
1 1 1 19  9  8  f 51.02728 3.284873  -6.725719      6.569745 
1 1 1 19  9  9  o 91.24784 3.208972  ?              ?        
1 1 1 19  9  10 o 61.18679 2.465508  ?              ?        
1 1 1 19  9  11 o 26.12409 4.248708  ?              ?        
1 1 1 19  9  12 o 15.48293 5.331931  ?              ?        
1 1 1 19  9  13 o 48.24040 2.763824  ?              ?        
1 1 1 19  9  14 o 31.07701 3.023276  ?              ?        
1 1 1 19  9  15 o 59.45810 2.155566  ?              ?        
1 1 1 19  9  16 o 75.38079 1.808557  ?              ?        
1 1 1 19  9  17 o 26.48407 3.896496  ?              ?        
1 1 1 19  9  18 o 15.41188 4.714602  ?              ?        
1 1 1 19  9  19 o 14.63675 4.771690  ?              ?        
1 1 1 19  9  20 x ?        ?         ?              ?        
1 1 1 19  9  21 x ?        ?         ?              ?        
1 1 1 19  10 0  o 110.7188 2.834140  -6.608551      5.668281 
1 1 1 19  10 1  o 188.5354 3.133352  0.2522278      6.266704 
1 1 1 19  10 2  o 100.9941 2.820738  -4.239853      5.641477 
1 1 1 19  10 3  o 61.85983 3.207738  5.765106       6.415476 
1 1 1 19  10 4  o 16.77907 4.930594  9.344718       9.861189 
1 1 1 19  10 5  o 30.00051 5.576054  ?              ?        
1 1 1 19  10 6  o 65.39284 3.096029  -0.5490417     6.192059 
1 1 1 19  10 7  o 50.91432 3.452467  -0.8136826     6.904934 
1 1 1 19  10 8  o 22.65764 5.879994  -4.144705      11.75999 
1 1 1 19  10 9  o 15.15011 6.208437  ?              ?        
1 1 1 19  10 10 o 38.58818 3.457711  ?              ?        
1 1 1 19  10 11 o 37.88158 3.403626  ?              ?        
1 1 1 19  10 12 o 8.463891 4.106240  ?              ?        
1 1 1 19  10 13 o 27.79977 3.678755  ?              ?        
1 1 1 19  10 14 o 12.21396 4.804538  ?              ?        
1 1 1 19  10 15 o 90.40694 2.002647  ?              ?        
1 1 1 19  10 16 o 63.31466 1.599944  ?              ?        
1 1 1 19  10 17 o 66.29050 2.095861  ?              ?        
1 1 1 19  10 18 o 26.40806 6.212948  ?              ?        
1 1 1 19  10 19 o 21.67769 5.019012  ?              ?        
1 1 1 19  10 20 x ?        ?         ?              ?        
1 1 1 19  10 21 x ?        ?         ?              ?        
1 1 1 19  11 0  o 58.32289 3.585235  -4.277477      7.170471 
1 1 1 19  11 1  o 77.86780 3.121812  -4.007729      6.243624 
1 1 1 19  11 2  o 100.8468 2.970427  -3.043808      5.940855 
1 1 1 19  11 3  o 115.6121 2.899043  0.8537064      5.798086 
1 1 1 19  11 4  o 22.44982 5.396771  -1.394844      10.79354 
1 1 1 19  11 5  o 62.93513 3.378941  -2.021240      6.757881 
1 1 1 19  11 6  o 42.48985 4.010895  5.548519       8.021790 
1 1 1 19  11 7  o 67.64142 3.552450  ?              ?        
1 1 1 19  11 8  o 46.68636 4.460242  ?              ?        
1 1 1 19  11 9  o 54.43107 3.942424  ?              ?        
1 1 1 19  11 10 o 14.08080 6.276943  ?              ?        
1 1 1 19  11 11 f 80.44180 2.492013  ?              ?        
1 1 1 19  11 12 o 31.92330 3.820862  ?              ?        
1 1 1 19  11 13 o 22.87416 4.734689  ?              ?        
1 1 1 19  11 14 o 70.27796 2.179211  ?              ?        
1 1 1 19  11 15 o 38.58857 2.563256  ?              ?        
1 1 1 19  11 16 o 54.22631 2.367179  ?              ?        
1 1 1 19  11 17 o 24.82081 2.527349  ?              ?        
1 1 1 19  11 18 o 21.88313 5.340828  ?              ?        
1 1 1 19  11 19 x ?        ?         ?              ?        
1 1 1 19  11 20 x ?        ?         ?              ?        
1 1 1 19  12 0  o 75.83380 3.933330  -3.247192      7.866659 
1 1 1 19  12 1  o 31.09417 5.751780  -11.15741      11.50356 
1 1 1 19  12 2  o 77.90747 3.251374  4.647362       6.502747 
1 1 1 19  12 3  o 36.42272 5.022695  2.873615       10.04539 
1 1 1 19  12 4  o 66.11269 3.511777  -10.70530      7.023554 
1 1 1 19  12 5  o 68.19501 3.309192  -0.5574036E-01 6.618384 
1 1 1 19  12 6  o 63.28283 3.393950  -2.230682      6.787900 
1 1 1 19  12 7  o 48.66499 3.804680  -7.844143      7.609360 
1 1 1 19  12 8  o 58.24664 3.955231  ?              ?        
1 1 1 19  12 9  o 22.37689 6.896106  ?              ?        
1 1 1 19  12 10 o 99.84526 2.671688  ?              ?        
1 1 1 19  12 11 o 29.24166 4.601210  ?              ?        
1 1 1 19  12 12 o 46.65564 4.363178  ?              ?        
1 1 1 19  12 13 o 58.69381 3.515204  ?              ?        
1 1 1 19  12 14 o 20.13519 4.518471  ?              ?        
1 1 1 19  12 15 o 32.28279 2.860950  ?              ?        
1 1 1 19  12 16 o 14.57448 4.650344  ?              ?        
1 1 1 19  12 17 o 29.78247 2.419628  ?              ?        
1 1 1 19  12 18 o 17.01359 5.649348  ?              ?        
1 1 1 19  12 19 x ?        ?         ?              ?        
1 1 1 19  12 20 x ?        ?         ?              ?        
1 1 1 19  13 0  o 48.47392 4.975024  -1.916294      9.950047 
1 1 1 19  13 1  o 46.91363 4.825742  -9.622650      9.651484 
1 1 1 19  13 2  f 98.82652 5.666255  ?              ?        
1 1 1 19  13 3  o 25.15724 5.983325  5.933678       11.96665 
1 1 1 19  13 4  f 47.85821 4.872002  -12.19230      9.744004 
1 1 1 19  13 5  o 19.48772 5.636322  7.366211       11.27264 
1 1 1 19  13 6  o 46.39742 4.022460  1.589787       8.044919 
1 1 1 19  13 7  o 46.22478 4.943523  ?              ?        
1 1 1 19  13 8  o 32.35851 6.428586  ?              ?        
1 1 1 19  13 9  o 13.39441 6.063925  ?              ?        
1 1 1 19  13 10 o 79.90349 3.344174  ?              ?        
1 1 1 19  13 11 o 69.76231 2.940436  ?              ?        
1 1 1 19  13 12 o 38.11121 3.647552  ?              ?        
1 1 1 19  13 13 o 25.66674 4.718729  ?              ?        
1 1 1 19  13 14 o 39.66097 3.217151  ?              ?        
1 1 1 19  13 15 o 24.09513 6.364382  ?              ?        
1 1 1 19  13 16 x ?        ?         ?              ?        
1 1 1 19  13 17 o 10.30991 4.646780  ?              ?        
1 1 1 19  13 18 o 24.84375 5.244925  ?              ?        
1 1 1 19  13 19 x ?        ?         ?              ?        
1 1 1 19  14 0  o 140.3260 3.249702  0.6953430E-01  6.499403 
1 1 1 19  14 1  o 76.86475 4.034160  ?              ?        
1 1 1 19  14 2  o 50.94134 9.094193  ?              ?        
1 1 1 19  14 3  o 98.66602 3.293204  -5.809166      6.586407 
1 1 1 19  14 4  o 44.74299 5.000714  -4.836636      10.00143 
1 1 1 19  14 5  o 119.5790 3.808094  -0.4338303     7.616189 
1 1 1 19  14 6  o 41.49320 4.713379  0.1869202E-02  9.426758 
1 1 1 19  14 7  o 58.81374 4.125631  ?              ?        
1 1 1 19  14 8  o 30.09549 7.790355  ?              ?        
1 1 1 19  14 9  x ?        ?         ?              ?        
1 1 1 19  14 10 o 19.19780 6.291363  ?              ?        
1 1 1 19  14 11 o 12.74840 5.429441  ?              ?        
1 1 1 19  14 12 o 54.63562 3.386557  ?              ?        
1 1 1 19  14 13 o 36.71368 3.860313  ?              ?        
1 1 1 19  14 14 o 9.049156 4.240476  ?              ?        
1 1 1 19  14 15 o 36.24641 2.862607  ?              ?        
1 1 1 19  14 16 o 18.54902 5.127055  ?              ?        
1 1 1 19  14 17 x ?        ?         ?              ?        
1 1 1 19  14 18 x ?        ?         ?              ?        
1 1 1 19  15 0  o 95.40572 3.548142  14.05190       7.096285 
1 1 1 19  15 1  f 123.7562 3.377167  0.5933838      6.754333 
1 1 1 19  15 2  o 52.41798 4.783260  -5.238682      9.566520 
1 1 1 19  15 3  o 43.87724 5.091123  0.7964897      10.18225 
1 1 1 19  15 4  f 62.35043 4.562406  ?              ?        
1 1 1 19  15 5  o 42.18478 4.577657  14.35876       9.155313 
1 1 1 19  15 6  f 80.17211 3.718525  ?              ?        
1 1 1 19  15 7  o 42.17805 8.509518  ?              ?        
1 1 1 19  15 8  f 24.43072 9.048014  ?              ?        
1 1 1 19  15 9  o 16.62413 6.133912  ?              ?        
1 1 1 19  15 10 o 43.28304 4.248397  ?              ?        
1 1 1 19  15 11 o 44.66119 3.870150  ?              ?        
1 1 1 19  15 12 o 15.37895 5.580782  ?              ?        
1 1 1 19  15 13 o 13.29145 5.274924  ?              ?        
1 1 1 19  15 14 o 34.17757 3.058928  ?              ?        
1 1 1 19  15 15 o 30.87249 3.358055  ?              ?        
1 1 1 19  15 16 o 21.43965 4.339950  ?              ?        
1 1 1 19  15 17 o 19.92169 5.949225  ?              ?        
1 1 1 19  16 0  o 21.58036 5.940296  -4.317493      11.88059 
1 1 1 19  16 1  o 50.18140 4.551082  9.673672       9.102163 
1 1 1 19  16 2  o 57.78115 4.190851  -1.293289      8.381701 
1 1 1 19  16 3  o 107.6936 3.259812  1.724052       6.519624 
1 1 1 19  16 4  o 64.06277 3.963411  -0.4978943E-01 7.926822 
1 1 1 19  16 5  o 25.78338 5.547790  -4.365646      11.09558 
1 1 1 19  16 6  o 61.06371 4.097388  ?              ?        
1 1 1 19  16 7  o 35.85516 5.127332  ?              ?        
1 1 1 19  16 8  o 26.91486 7.126362  ?              ?        
1 1 1 19  16 9  o 52.56706 3.778907  ?              ?        
1 1 1 19  16 10 o 36.59829 7.380204  ?              ?        
1 1 1 19  16 11 o 25.93151 7.830257  ?              ?        
1 1 1 19  16 12 o 8.218288 3.950021  ?              ?        
1 1 1 19  16 13 o 10.11145 4.445363  ?              ?        
1 1 1 19  16 14 o 52.33854 2.779291  ?              ?        
1 1 1 19  16 15 o 12.64598 4.952252  ?              ?        
1 1 1 19  16 16 o 16.43096 4.943077  ?              ?        
1 1 1 19  17 0  o 29.65731 6.275224  -9.403275      12.55045 
1 1 1 19  17 1  o 22.33254 9.564778  ?              ?        
1 1 1 19  17 2  o 23.21068 5.999937  4.043325       11.99987 
1 1 1 19  17 3  o 37.23872 4.922826  8.148777       9.845652 
1 1 1 19  17 4  o 14.89223 4.735866  -0.2961674     9.471731 
1 1 1 19  17 5  o 44.22170 4.671849  ?              ?        
1 1 1 19  17 6  o 16.41476 6.468167  ?              ?        
1 1 1 19  17 7  o 60.77935 4.720157  ?              ?        
1 1 1 19  17 8  f 51.31350 3.793127  ?              ?        
1 1 1 19  17 9  o 32.21513 4.721156  ?              ?        
1 1 1 19  17 10 o 34.05002 4.218220  ?              ?        
1 1 1 19  17 11 o 11.07575 4.783285  ?              ?        
1 1 1 19  17 12 o 15.63700 5.234878  ?              ?        
1 1 1 19  17 13 o 25.66051 4.145125  ?              ?        
1 1 1 19  17 14 o 19.47064 6.561546  ?              ?        
1 1 1 19  17 15 o 12.23515 5.393303  ?              ?        
1 1 1 19  18 0  o 30.64321 5.595477  -5.948841      11.19095 
1 1 1 19  18 1  o 16.28773 5.281261  0.8657455      10.56252 
1 1 1 19  18 2  o 83.38141 3.392105  -4.416473      6.784209 
1 1 1 19  18 3  o 37.04989 4.902513  4.960129       9.805026 
1 1 1 19  18 4  o 38.54992 4.986402  -5.407066      9.972804 
1 1 1 19  18 5  o 29.18736 7.510955  ?              ?        
1 1 1 19  18 6  o 14.92071 6.519339  ?              ?        
1 1 1 19  18 7  o 46.71187 4.985172  ?              ?        
1 1 1 19  18 8  o 20.14611 6.097240  ?              ?        
1 1 1 19  18 9  o 15.90767 5.726374  ?              ?        
1 1 1 19  18 10 x ?        ?         ?              ?        
1 1 1 19  18 11 o 17.45247 5.561464  ?              ?        
1 1 1 19  18 12 o 22.00382 5.065896  ?              ?        
1 1 1 19  18 13 o 15.01466 5.860256  ?              ?        
1 1 1 19  18 14 o 29.59888 5.361824  ?              ?        
1 1 1 19  19 0  o 41.26640 4.797259  -10.74519      9.594518 
1 1 1 19  19 1  o 64.19943 3.957683  ?              ?        
1 1 1 19  19 2  o 29.75765 5.407904  12.23848       10.81581 
1 1 1 19  19 3  o 44.22927 4.101190  7.155148       8.202380 
1 1 1 19  19 4  o 28.59458 8.798275  ?              ?        
1 1 1 19  19 5  x ?        ?         ?              ?        
1 1 1 19  19 6  o 46.90676 5.023090  ?              ?        
1 1 1 19  19 7  o 17.48028 6.632591  ?              ?        
1 1 1 19  19 8  o 9.794075 4.587079  ?              ?        
1 1 1 19  19 9  o 31.48396 4.370405  ?              ?        
1 1 1 19  19 10 o 11.48492 4.919406  ?              ?        
1 1 1 19  19 11 o 26.13658 4.890515  ?              ?        
1 1 1 19  19 12 o 19.87918 5.038129  ?              ?        
1 1 1 19  19 13 o 9.781201 4.431144  ?              ?        
1 1 1 19  20 0  o 31.90444 5.166082  -2.593491      10.33216 
1 1 1 19  20 1  o 20.06468 5.072276  -1.771584      10.14455 
1 1 1 19  20 2  o 44.58607 3.766135  12.14815       7.532270 
1 1 1 19  20 3  o 22.43818 6.687551  ?              ?        
1 1 1 19  20 4  o 11.67773 5.476866  ?              ?        
1 1 1 19  20 5  o 33.16055 5.429779  ?              ?        
1 1 1 19  20 6  o 14.57212 6.014909  ?              ?        
1 1 1 19  20 7  o 13.19656 5.440667  ?              ?        
1 1 1 19  20 8  o 19.59105 7.051736  ?              ?        
1 1 1 19  20 9  o 11.97756 5.516237  ?              ?        
1 1 1 19  20 10 o 24.78271 4.628157  ?              ?        
1 1 1 19  20 11 o 22.08269 5.129485  ?              ?        
1 1 1 19  21 0  o 21.51869 5.863843  -3.477537      11.72769 
1 1 1 19  21 1  o 13.20839 4.191104  1.491704       8.382208 
1 1 1 19  21 2  o 16.03461 4.193172  -6.776848      8.386344 
1 1 1 19  21 3  o 15.07715 6.187643  ?              ?        
1 1 1 19  21 4  o 39.16510 5.187583  ?              ?        
1 1 1 19  21 5  o 25.57041 6.348312  ?              ?        
1 1 1 19  21 6  o 18.80770 6.658474  ?              ?        
1 1 1 19  21 7  o 16.45991 5.624033  ?              ?        
1 1 1 19  21 8  o 12.08238 4.891702  ?              ?        
1 1 1 19  21 9  o 13.25328 5.352905  ?              ?        
1 1 1 19  22 0  o 16.78015 4.599129  2.171661       9.198257 
1 1 1 19  22 1  o 12.79863 4.016574  -2.547897      8.033149 
1 1 1 19  22 2  o 21.55396 6.782897  ?              ?        
1 1 1 19  22 3  f 22.65347 6.736379  ?              ?        
1 1 1 19  22 4  o 23.89475 6.502825  ?              ?        
1 1 1 19  22 5  o 16.17241 6.264063  ?              ?        
1 1 1 19  22 6  o 11.24687 4.960176  ?              ?        
1 1 1 19  22 7  o 23.30103 5.208580  ?              ?        
1 1 1 19  23 0  o 16.07561 4.491419  5.353438       8.982838 
1 1 1 19  23 1  o 11.86752 5.213487  ?              ?        
1 1 1 19  23 2  x ?        ?         ?              ?        
1 1 1 19  23 3  x ?        ?         ?              ?        
1 1 1 19  23 4  o 13.43989 5.661917  ?              ?        
1 1 1 19  24 0  f 18.29471 6.272994  ?              ?        
1 1 1 20  0  0  o 46.34474 2.873667  -0.000000      0.000000 
1 1 1 20  0  1  o 89.68056 3.272499  -0.000000      0.000000 
1 1 1 20  0  2  o 17.48921 6.883288  -0.000000      0.000000 
1 1 1 20  0  3  o 31.56521 4.143391  -0.000000      0.000000 
1 1 1 20  0  4  o 129.3382 2.592488  -0.000000      0.000000 
1 1 1 20  0  5  o 69.94350 2.608559  -0.000000      0.000000 
1 1 1 20  0  6  o 82.03301 2.499399  -0.000000      0.000000 
1 1 1 20  0  7  x ?        ?         ?              ?        
1 1 1 20  0  8  o 78.25687 3.192414  -0.000000      0.000000 
1 1 1 20  0  9  o 7.850701 5.371383  -0.000000      0.000000 
1 1 1 20  0  10 o 161.7586 3.533451  -0.000000      0.000000 
1 1 1 20  0  11 x ?        ?         ?              ?        
1 1 1 20  0  12 x ?        ?         ?              ?        
1 1 1 20  0  13 x ?        ?         ?              ?        
1 1 1 20  0  14 x ?        ?         ?              ?        
1 1 1 20  0  15 x ?        ?         ?              ?        
1 1 1 20  0  16 x ?        ?         ?              ?        
1 1 1 20  0  17 x ?        ?         ?              ?        
1 1 1 20  0  18 x ?        ?         ?              ?        
1 1 1 20  0  19 x ?        ?         ?              ?        
1 1 1 20  0  20 x ?        ?         ?              ?        
1 1 1 20  0  21 x ?        ?         ?              ?        
1 1 1 20  0  22 x ?        ?         ?              ?        
1 1 1 20  1  0  o 143.0560 1.865431  -1.883530      3.730862 
1 1 1 20  1  1  o 113.9185 2.032777  1.058746       4.065554 
1 1 1 20  1  2  o 80.80670 1.746227  -5.162270      3.492453 
1 1 1 20  1  3  o 96.94044 2.435847  -3.593475      4.871694 
1 1 1 20  1  4  o 43.56102 2.287239  1.070889       4.574478 
1 1 1 20  1  5  o 31.19329 2.756885  -0.5949440     5.513770 
1 1 1 20  1  6  o 102.0409 2.082463  2.427231       4.164927 
1 1 1 20  1  7  o 38.17677 3.718929  -16.86255      7.437858 
1 1 1 20  1  8  o 69.62718 2.288975  -5.061394      4.577949 
1 1 1 20  1  9  o 106.1826 2.170094  -1.827545      4.340189 
1 1 1 20  1  10 o 59.32018 1.857358  -3.430531      3.714715 
1 1 1 20  1  11 x ?        ?         ?              ?        
1 1 1 20  1  12 x ?        ?         ?              ?        
1 1 1 20  1  13 x ?        ?         ?              ?        
1 1 1 20  1  14 x ?        ?         ?              ?        
1 1 1 20  1  15 x ?        ?         ?              ?        
1 1 1 20  1  16 x ?        ?         ?              ?        
1 1 1 20  1  17 x ?        ?         ?              ?        
1 1 1 20  1  18 x ?        ?         ?              ?        
1 1 1 20  1  19 x ?        ?         ?              ?        
1 1 1 20  1  20 x ?        ?         ?              ?        
1 1 1 20  1  21 x ?        ?         ?              ?        
1 1 1 20  1  22 x ?        ?         ?              ?        
1 1 1 20  2  0  o 152.4861 2.282344  1.275696       4.564688 
1 1 1 20  2  1  o 34.83018 2.809341  6.786751       5.618682 
1 1 1 20  2  2  o 112.8828 2.193350  0.2710495      4.386699 
1 1 1 20  2  3  o 66.13236 2.595944  11.85383       5.191887 
1 1 1 20  2  4  o 101.4628 1.773156  1.648468       3.546312 
1 1 1 20  2  5  o 97.84969 3.572748  ?              ?        
1 1 1 20  2  6  o 71.48500 2.091739  -4.625961      4.183477 
1 1 1 20  2  7  o 90.60699 2.140294  ?              ?        
1 1 1 20  2  8  o 61.85513 3.724898  ?              ?        
1 1 1 20  2  9  o 12.01698 3.748739  0.7084723      7.497478 
1 1 1 20  2  10 f 33.02535 2.519060  -2.011982      5.038120 
1 1 1 20  2  11 o 64.37186 1.911793  ?              ?        
1 1 1 20  2  12 x ?        ?         ?              ?        
1 1 1 20  2  13 x ?        ?         ?              ?        
1 1 1 20  2  14 x ?        ?         ?              ?        
1 1 1 20  2  15 x ?        ?         ?              ?        
1 1 1 20  2  16 x ?        ?         ?              ?        
1 1 1 20  2  17 x ?        ?         ?              ?        
1 1 1 20  2  18 x ?        ?         ?              ?        
1 1 1 20  2  19 x ?        ?         ?              ?        
1 1 1 20  2  20 x ?        ?         ?              ?        
1 1 1 20  2  21 x ?        ?         ?              ?        
1 1 1 20  2  22 x ?        ?         ?              ?        
1 1 1 20  3  0  o 80.65781 2.004156  -10.96735      4.008312 
1 1 1 20  3  1  o 186.3685 2.176725  -0.9556580     4.353451 
1 1 1 20  3  2  o 54.03165 2.013034  -0.5930214     4.026067 
1 1 1 20  3  3  o 52.92636 2.782409  -12.10693      5.564817 
1 1 1 20  3  4  o 64.90562 2.146549  -1.634628      4.293099 
1 1 1 20  3  5  o 75.61729 2.085963  -3.628693      4.171926 
1 1 1 20  3  6  f 110.1313 2.085102  -0.8494873     4.170204 
1 1 1 20  3  7  o 137.9845 2.239657  ?              ?        
1 1 1 20  3  8  o 55.94323 2.132527  8.265770       4.265054 
1 1 1 20  3  9  o 57.45760 1.979000  -5.703480      3.958000 
1 1 1 20  3  10 o 54.10416 1.830692  1.040043       3.661385 
1 1 1 20  3  11 f 30.27270 3.015478  ?              ?        
1 1 1 20  3  12 o 26.04181 2.998286  ?              ?        
1 1 1 20  3  13 x ?        ?         ?              ?        
1 1 1 20  3  14 x ?        ?         ?              ?        
1 1 1 20  3  15 x ?        ?         ?              ?        
1 1 1 20  3  16 x ?        ?         ?              ?        
1 1 1 20  3  17 x ?        ?         ?              ?        
1 1 1 20  3  18 x ?        ?         ?              ?        
1 1 1 20  3  19 x ?        ?         ?              ?        
1 1 1 20  3  20 x ?        ?         ?              ?        
1 1 1 20  3  21 x ?        ?         ?              ?        
1 1 1 20  3  22 x ?        ?         ?              ?        
1 1 1 20  4  0  o 132.9993 2.600968  -13.12758      5.201935 
1 1 1 20  4  1  o 81.52214 2.028766  -3.527855      4.057532 
1 1 1 20  4  2  o 74.30209 2.021498  -4.509399      4.042996 
1 1 1 20  4  3  o 69.23392 2.442083  -10.62650      4.884167 
1 1 1 20  4  4  o 93.61452 2.171113  -5.101563      4.342227 
1 1 1 20  4  5  o 55.58257 2.361277  2.924271       4.722554 
1 1 1 20  4  6  o 121.2924 2.183263  -9.665497      4.366527 
1 1 1 20  4  7  o 14.67441 3.969281  6.240376       7.938563 
1 1 1 20  4  8  o 84.50243 2.000121  -3.182907      4.000242 
1 1 1 20  4  9  o 58.23971 3.625245  ?              ?        
1 1 1 20  4  10 o 34.96897 3.817505  ?              ?        
1 1 1 20  4  11 o 40.18633 2.224625  ?              ?        
1 1 1 20  4  12 o 18.23657 4.069710  ?              ?        
1 1 1 20  4  13 o 80.76484 1.773029  ?              ?        
1 1 1 20  4  14 x ?        ?         ?              ?        
1 1 1 20  4  15 x ?        ?         ?              ?        
1 1 1 20  4  16 x ?        ?         ?              ?        
1 1 1 20  4  17 x ?        ?         ?              ?        
1 1 1 20  4  18 x ?        ?         ?              ?        
1 1 1 20  4  19 x ?        ?         ?              ?        
1 1 1 20  4  20 x ?        ?         ?              ?        
1 1 1 20  4  21 x ?        ?         ?              ?        
1 1 1 20  4  22 x ?        ?         ?              ?        
1 1 1 20  5  0  o 68.50741 2.017135  -1.038040      4.034270 
1 1 1 20  5  1  o 56.90199 2.585135  -1.549454      5.170269 
1 1 1 20  5  2  o 65.16278 2.718365  -0.4255219     5.436731 
1 1 1 20  5  3  o 80.15974 2.374878  -10.42589      4.749756 
1 1 1 20  5  4  o 39.40430 3.226971  -2.546295      6.453942 
1 1 1 20  5  5  o 65.36979 2.460250  -14.62645      4.920500 
1 1 1 20  5  6  o 79.83035 2.176546  5.462219       4.353092 
1 1 1 20  5  7  o 89.89761 2.120644  -0.6854477     4.241287 
1 1 1 20  5  8  o 30.63410 2.064875  ?              ?        
1 1 1 20  5  9  o 30.96094 2.910466  4.862858       5.820932 
1 1 1 20  5  10 o 59.66005 1.617963  ?              ?        
1 1 1 20  5  11 o 59.86280 2.163376  ?              ?        
1 1 1 20  5  12 o 82.90723 1.884596  ?              ?        
1 1 1 20  5  13 o 51.49353 1.939815  ?              ?        
1 1 1 20  5  14 o 28.30234 2.269609  ?              ?        
1 1 1 20  5  15 x ?        ?         ?              ?        
1 1 1 20  5  16 x ?        ?         ?              ?        
1 1 1 20  5  17 x ?        ?         ?              ?        
1 1 1 20  5  18 x ?        ?         ?              ?        
1 1 1 20  5  19 x ?        ?         ?              ?        
1 1 1 20  5  20 x ?        ?         ?              ?        
1 1 1 20  5  21 x ?        ?         ?              ?        
1 1 1 20  5  22 x ?        ?         ?              ?        
1 1 1 20  6  0  o 87.10446 2.420697  4.916603       4.841395 
1 1 1 20  6  1  o 63.19147 2.043990  ?              ?        
1 1 1 20  6  2  f 47.41317 3.390934  ?              ?        
1 1 1 20  6  3  o 83.03925 4.516952  ?              ?        
1 1 1 20  6  4  o 13.39463 4.246191  9.133880       8.492381 
1 1 1 20  6  5  o 26.99860 4.128394  -3.948151      8.256787 
1 1 1 20  6  6  o 84.63992 2.304302  0.8514938      4.608603 
1 1 1 20  6  7  o 30.07411 3.532464  8.798567       7.064929 
1 1 1 20  6  8  o 49.27869 2.890787  -12.33949      5.781573 
1 1 1 20  6  9  o 76.34742 1.644130  ?              ?        
1 1 1 20  6  10 o 83.60864 1.719458  ?              ?        
1 1 1 20  6  11 o 52.87231 1.552343  ?              ?        
1 1 1 20  6  12 o 30.91700 2.210678  ?              ?        
1 1 1 20  6  13 o 23.68353 6.843933  ?              ?        
1 1 1 20  6  14 o 15.58739 4.469379  ?              ?        
1 1 1 20  6  15 o 58.49172 2.018366  ?              ?        
1 1 1 20  6  16 o 12.22751 3.766824  ?              ?        
1 1 1 20  6  17 x ?        ?         ?              ?        
1 1 1 20  6  18 x ?        ?         ?              ?        
1 1 1 20  6  19 x ?        ?         ?              ?        
1 1 1 20  6  20 x ?        ?         ?              ?        
1 1 1 20  6  21 x ?        ?         ?              ?        
1 1 1 20  7  0  f 23.82158 4.026430  -13.35565      8.052860 
1 1 1 20  7  1  o 14.05382 3.879352  -4.580717      7.758705 
1 1 1 20  7  2  o 24.94464 6.205451  ?              ?        
1 1 1 20  7  3  o 92.43975 2.721187  1.539566       5.442373 
1 1 1 20  7  4  o 71.87601 2.957368  -0.5692596     5.914736 
1 1 1 20  7  5  o 17.39296 4.895833  5.556323       9.791667 
1 1 1 20  7  6  o 34.30975 3.981724  2.018566       7.963449 
1 1 1 20  7  7  o 63.82793 2.515140  2.181141       5.030280 
1 1 1 20  7  8  o 86.83234 2.252818  1.511513       4.505636 
1 1 1 20  7  9  o 18.69738 4.154601  16.01352       8.309202 
1 1 1 20  7  10 o 25.14787 2.934982  ?              ?        
1 1 1 20  7  11 o 11.01078 3.984354  ?              ?        
1 1 1 20  7  12 o 27.15989 2.140118  ?              ?        
1 1 1 20  7  13 o 19.39956 2.661659  ?              ?        
1 1 1 20  7  14 o 45.56720 2.635851  ?              ?        
1 1 1 20  7  15 o 19.95889 4.392393  ?              ?        
1 1 1 20  7  16 o 25.68118 2.974379  ?              ?        
1 1 1 20  7  17 o 30.91728 2.338168  ?              ?        
1 1 1 20  7  18 x ?        ?         ?              ?        
1 1 1 20  7  19 x ?        ?         ?              ?        
1 1 1 20  7  20 x ?        ?         ?              ?        
1 1 1 20  7  21 x ?        ?         ?              ?        
1 1 1 20  8  0  o 46.60260 3.415671  6.828022       6.831341 
1 1 1 20  8  1  o 92.16270 2.668138  -0.5640182     5.336276 
1 1 1 20  8  2  o 11.84121 3.980958  3.144080       7.961917 
1 1 1 20  8  3  o 117.9468 3.389193  ?              ?        
1 1 1 20  8  4  o 52.52165 3.366077  -12.76938      6.732153 
1 1 1 20  8  5  o 73.41444 3.129323  -2.671638      6.258646 
1 1 1 20  8  6  o 25.65102 4.811016  -5.429581      9.622031 
1 1 1 20  8  7  f 109.4397 2.702276  -5.836700      5.404552 
1 1 1 20  8  8  o 31.19804 4.266011  -9.292627      8.532022 
1 1 1 20  8  9  o 69.05895 2.250129  ?              ?        
1 1 1 20  8  10 o 12.16221 4.899711  ?              ?        
1 1 1 20  8  11 o 81.60667 2.054010  ?              ?        
1 1 1 20  8  12 f 29.06458 2.580060  ?              ?        
1 1 1 20  8  13 o 43.25871 1.863965  ?              ?        
1 1 1 20  8  14 o 15.89533 2.991602  ?              ?        
1 1 1 20  8  15 o 51.03146 2.714242  ?              ?        
1 1 1 20  8  16 o 20.31109 4.539598  ?              ?        
1 1 1 20  8  17 o 31.62771 2.758907  ?              ?        
1 1 1 20  8  18 x ?        ?         ?              ?        
1 1 1 20  8  19 x ?        ?         ?              ?        
1 1 1 20  8  20 x ?        ?         ?              ?        
1 1 1 20  8  21 x ?        ?         ?              ?        
1 1 1 20  9  0  o 25.01976 5.202366  5.802799       10.40473 
1 1 1 20  9  1  o 22.88773 5.260723  8.240976       10.52145 
1 1 1 20  9  2  o 47.30475 3.755980  -3.858265      7.511959 
1 1 1 20  9  3  o 46.25867 3.968439  10.12045       7.936878 
1 1 1 20  9  4  o 43.52934 3.825323  11.93773       7.650646 
1 1 1 20  9  5  o 75.19655 2.926203  -2.963364      5.852407 
1 1 1 20  9  6  o 114.6760 2.661531  -3.083771      5.323063 
1 1 1 20  9  7  o 77.13229 3.262788  -8.792999      6.525576 
1 1 1 20  9  8  o 30.49550 4.387269  -4.972328      8.774539 
1 1 1 20  9  9  f 28.69342 5.133583  ?              ?        
1 1 1 20  9  10 o 82.54473 2.439646  ?              ?        
1 1 1 20  9  11 o 16.64996 4.980837  ?              ?        
1 1 1 20  9  12 o 12.80601 4.863503  ?              ?        
1 1 1 20  9  13 o 27.49721 3.459631  ?              ?        
1 1 1 20  9  14 o 9.273014 4.378740  ?              ?        
1 1 1 20  9  15 o 40.24151 2.219343  ?              ?        
1 1 1 20  9  16 o 19.00562 2.601593  ?              ?        
1 1 1 20  9  17 o 25.77818 3.367559  ?              ?        
1 1 1 20  9  18 x ?        ?         ?              ?        
1 1 1 20  9  19 x ?        ?         ?              ?        
1 1 1 20  9  20 x ?        ?         ?              ?        
1 1 1 20  10 0  o 27.10801 5.398736  5.606768       10.79747 
1 1 1 20  10 1  o 119.4392 2.899774  -0.9454803     5.799547 
1 1 1 20  10 2  o 161.5927 3.013055  -1.694473      6.026110 
1 1 1 20  10 3  o 90.82755 3.106743  -4.747116      6.213487 
1 1 1 20  10 4  o 36.72300 4.565841  23.13317       9.131681 
1 1 1 20  10 5  o 19.95258 4.963998  -6.223867      9.927997 
1 1 1 20  10 6  o 31.90431 4.927385  ?              ?        
1 1 1 20  10 7  o 78.09049 2.883686  -2.730911      5.767372 
1 1 1 20  10 8  o 66.98943 3.657498  5.783691       7.314995 
1 1 1 20  10 9  o 59.59254 2.956124  ?              ?        
1 1 1 20  10 10 o 39.80148 3.245052  ?              ?        
1 1 1 20  10 11 o 45.54951 2.732547  ?              ?        
1 1 1 20  10 12 o 29.70813 3.793936  ?              ?        
1 1 1 20  10 13 o 37.75851 3.032864  ?              ?        
1 1 1 20  10 14 o 56.12103 2.078888  ?              ?        
1 1 1 20  10 15 o 32.04246 2.554888  ?              ?        
1 1 1 20  10 16 f 26.79369 2.702717  ?              ?        
1 1 1 20  10 17 o 41.05267 4.309119  ?              ?        
1 1 1 20  10 18 x ?        ?         ?              ?        
1 1 1 20  10 19 x ?        ?         ?              ?        
1 1 1 20  10 20 x ?        ?         ?              ?        
1 1 1 20  11 0  o 38.83390 5.589612  5.157093       11.17922 
1 1 1 20  11 1  o 91.29355 3.189454  5.622551       6.378909 
1 1 1 20  11 2  o 44.40479 4.205141  2.025536       8.410282 
1 1 1 20  11 3  o 32.21889 5.879092  -4.479588      11.75818 
1 1 1 20  11 4  o 90.91635 3.019871  3.781242       6.039742 
1 1 1 20  11 5  o 17.12675 5.189803  7.991667       10.37961 
1 1 1 20  11 6  o 19.74031 4.842960  -10.05982      9.685921 
1 1 1 20  11 7  o 39.52551 4.020689  2.435894       8.041377 
1 1 1 20  11 8  o 60.02641 3.436494  ?              ?        
1 1 1 20  11 9  o 15.41508 6.206897  ?              ?        
1 1 1 20  11 10 o 47.35088 4.452407  ?              ?        
1 1 1 20  11 11 o 38.65514 3.231688  ?              ?        
1 1 1 20  11 12 o 55.68355 2.463135  ?              ?        
1 1 1 20  11 13 o 34.05405 2.853072  ?              ?        
1 1 1 20  11 14 o 25.44199 3.350237  ?              ?        
1 1 1 20  11 15 o 35.76393 2.504011  ?              ?        
1 1 1 20  11 16 o 49.33227 1.826676  ?              ?        
1 1 1 20  11 17 o 36.12947 3.985586  ?              ?        
1 1 1 20  11 18 x ?        ?         ?              ?        
1 1 1 20  11 19 x ?        ?         ?              ?        
1 1 1 20  12 0  o 28.99226 5.959185  4.862680       11.91837 
1 1 1 20  12 1  o 36.50675 9.120061  ?              ?        
1 1 1 20  12 2  o 57.25168 4.267050  2.698441       8.534101 
1 1 1 20  12 3  o 95.98624 3.471304  -5.777298      6.942608 
1 1 1 20  12 4  o 42.31037 5.014165  -1.922985      10.02833 
1 1 1 20  12 5  o 95.59288 3.087478  9.034210       6.174956 
1 1 1 20  12 6  o 18.33367 5.297741  3.884260       10.59548 
1 1 1 20  12 7  o 53.68627 3.401362  0.9070969      6.802724 
1 1 1 20  12 8  o 14.86188 6.407263  ?              ?        
1 1 1 20  12 9  o 20.04352 6.584259  ?              ?        
1 1 1 20  12 10 o 42.74277 3.541967  ?              ?        
1 1 1 20  12 11 o 66.60056 2.661575  ?              ?        
1 1 1 20  12 12 o 32.84513 5.169755  ?              ?        
1 1 1 20  12 13 o 24.83669 3.920637  ?              ?        
1 1 1 20  12 14 o 22.04055 4.061078  ?              ?        
1 1 1 20  12 15 o 10.41256 4.205895  ?              ?        
1 1 1 20  12 16 f 24.21104 4.385264  ?              ?        
1 1 1 20  12 17 x ?        ?         ?              ?        
1 1 1 20  12 18 x ?        ?         ?              ?        
1 1 1 20  13 0  o 68.52194 3.993585  ?              ?        
1 1 1 20  13 1  o 65.73421 3.817149  -5.333412      7.634297 
1 1 1 20  13 2  o 68.97101 3.662308  -3.777229      7.324615 
1 1 1 20  13 3  o 53.48137 6.708435  ?              ?        
1 1 1 20  13 4  o 77.88961 3.380672  -2.974136      6.761344 
1 1 1 20  13 5  o 79.12645 3.638704  -4.886925      7.277407 
1 1 1 20  13 6  o 113.4697 3.216940  -4.949821      6.433880 
1 1 1 20  13 7  o 23.65598 5.295392  -3.067104      10.59078 
1 1 1 20  13 8  o 31.53367 5.949689  ?              ?        
1 1 1 20  13 9  o 13.65224 5.948243  ?              ?        
1 1 1 20  13 10 o 64.92689 3.309921  ?              ?        
1 1 1 20  13 11 o 17.64924 6.169182  ?              ?        
1 1 1 20  13 12 o 17.20576 5.471068  ?              ?        
1 1 1 20  13 13 o 12.46844 4.811201  ?              ?        
1 1 1 20  13 14 o 32.08409 2.734955  ?              ?        
1 1 1 20  13 15 o 39.72497 3.302670  ?              ?        
1 1 1 20  13 16 o 14.57442 5.087530  ?              ?        
1 1 1 20  13 17 o 21.87643 4.837133  ?              ?        
1 1 1 20  13 18 x ?        ?         ?              ?        
1 1 1 20  14 0  o 80.84975 3.624490  0.3550720      7.248979 
1 1 1 20  14 1  o 30.17110 5.866240  -8.261339      11.73248 
1 1 1 20  14 2  o 52.20225 4.722896  ?              ?        
1 1 1 20  14 3  o 65.81406 4.167379  -7.800854      8.334759 
1 1 1 20  14 4  f 39.23914 5.211152  -17.11890      10.42230 
1 1 1 20  14 5  o 38.04234 6.103022  17.10206       12.20604 
1 1 1 20  14 6  o 71.18441 3.279940  8.004715       6.559880 
1 1 1 20  14 7  o 25.24488 6.866212  ?              ?        
1 1 1 20  14 8  o 33.25829 5.228814  ?              ?        
1 1 1 20  14 9  o 26.21243 7.261678  ?              ?        
1 1 1 20  14 10 o 16.11346 6.148976  ?              ?        
1 1 1 20  14 11 o 44.54198 3.116709  ?              ?        
1 1 1 20  14 12 o 18.89937 5.317616  ?              ?        
1 1 1 20  14 13 f 20.97963 4.443122  ?              ?        
1 1 1 20  14 14 o 41.09129 2.587344  ?              ?        
1 1 1 20  14 15 o 24.96555 3.148838  ?              ?        
1 1 1 20  14 16 x ?        ?         ?              ?        
1 1 1 20  14 17 x ?        ?         ?              ?        
1 1 1 20  15 0  o 30.43880 6.044223  -0.5392780     12.08845 
1 1 1 20  15 1  o 17.53291 5.418348  1.566942       10.83670 
1 1 1 20  15 2  o 55.36519 4.098818  7.670624       8.197636 
1 1 1 20  15 3  o 37.96107 5.184042  -13.98362      10.36808 
1 1 1 20  15 4  o 65.72418 3.540582  -11.68118      7.081163 
1 1 1 20  15 5  o 33.21172 6.091192  ?              ?        
1 1 1 20  15 6  o 22.54392 5.265525  -3.267942      10.53105 
1 1 1 20  15 7  o 20.77381 6.885716  ?              ?        
1 1 1 20  15 8  o 16.04579 7.238200  ?              ?        
1 1 1 20  15 9  o 16.84281 5.971872  ?              ?        
1 1 1 20  15 10 o 30.33941 3.918713  ?              ?        
1 1 1 20  15 11 o 12.81403 5.050730  ?              ?        
1 1 1 20  15 12 o 11.69063 4.767189  ?              ?        
1 1 1 20  15 13 o 19.57802 5.734636  ?              ?        
1 1 1 20  15 14 o 50.43145 2.684205  ?              ?        
1 1 1 20  15 15 o 34.82071 3.119001  ?              ?        
1 1 1 20  15 16 o 7.322619 3.656475  ?              ?        
1 1 1 20  16 0  o 26.69312 10.13478  ?              ?        
1 1 1 20  16 1  o 22.38974 5.798693  12.19959       11.59739 
1 1 1 20  16 2  o 30.00711 5.602395  4.267946       11.20479 
1 1 1 20  16 3  o 16.43462 5.025723  1.635386       10.05145 
1 1 1 20  16 4  o 25.96057 5.558689  5.839663       11.11738 
1 1 1 20  16 5  o 43.85964 4.033774  -5.263313      8.067548 
1 1 1 20  16 6  o 26.50438 6.563402  ?              ?        
1 1 1 20  16 7  o 45.88732 4.231098  ?              ?        
1 1 1 20  16 8  o 46.80249 3.795661  ?              ?        
1 1 1 20  16 9  o 22.41171 5.069464  ?              ?        
1 1 1 20  16 10 o 19.55298 5.174792  ?              ?        
1 1 1 20  16 11 f 17.37094 5.991831  ?              ?        
1 1 1 20  16 12 o 33.06138 3.545165  ?              ?        
1 1 1 20  16 13 o 58.21272 2.655863  ?              ?        
1 1 1 20  16 14 o 17.23318 5.152567  ?              ?        
1 1 1 20  16 15 o 20.30028 6.377018  ?              ?        
1 1 1 20  17 0  o 23.29367 5.445091  17.13088       10.89018 
1 1 1 20  17 1  o 27.10771 5.989336  -4.810619      11.97867 
1 1 1 20  17 2  o 61.64519 4.135725  -11.63294      8.271449 
1 1 1 20  17 3  o 17.86370 5.089625  6.068279       10.17925 
1 1 1 20  17 4  o 43.57914 4.148266  2.618248       8.296532 
1 1 1 20  17 5  o 22.82717 5.482125  2.588276       10.96425 
1 1 1 20  17 6  o 17.55514 6.538576  ?              ?        
1 1 1 20  17 7  o 54.33448 3.542929  ?              ?        
1 1 1 20  17 8  o 14.03077 5.768121  ?              ?        
1 1 1 20  17 9  o 26.27222 4.103581  ?              ?        
1 1 1 20  17 10 o 16.52149 5.296463  ?              ?        
1 1 1 20  17 11 o 30.66131 3.866241  ?              ?        
1 1 1 20  17 12 o 18.89266 5.153942  ?              ?        
1 1 1 20  17 13 o 12.25948 4.842316  ?              ?        
1 1 1 20  17 14 o 13.63953 5.846241  ?              ?        
1 1 1 20  18 0  o 44.20843 4.193423  -3.964050      8.386846 
1 1 1 20  18 1  o 16.73997 5.019426  0.9800739      10.03885 
1 1 1 20  18 2  o 23.35197 6.062691  3.891504       12.12538 
1 1 1 20  18 3  o 32.27807 4.968201  -11.86586      9.936402 
1 1 1 20  18 4  o 42.56996 4.007669  7.498894       8.015338 
1 1 1 20  18 5  o 11.84270 5.328406  ?              ?        
1 1 1 20  18 6  o 17.99051 6.891189  ?              ?        
1 1 1 20  18 7  o 13.02770 5.686554  ?              ?        
1 1 1 20  18 8  o 15.14478 5.285577  ?              ?        
1 1 1 20  18 9  o 18.15848 5.708933  ?              ?        
1 1 1 20  18 10 o 19.37658 5.284313  ?              ?        
1 1 1 20  18 11 o 17.39224 5.199763  ?              ?        
1 1 1 20  18 12 o 11.40501 4.915349  ?              ?        
1 1 1 20  19 0  o 42.16681 6.673795  ?              ?        
1 1 1 20  19 1  o 15.90655 4.764480  2.148986       9.528959 
1 1 1 20  19 2  o 39.37814 4.417250  ?              ?        
1 1 1 20  19 3  o 26.79527 4.697027  -8.848677      9.394053 
1 1 1 20  19 4  o 28.45689 5.098621  ?              ?        
1 1 1 20  19 5  f 41.49825 7.817496  ?              ?        
1 1 1 20  19 6  o 25.60533 5.467450  ?              ?        
1 1 1 20  19 7  o 24.47765 5.340958  ?              ?        
1 1 1 20  19 8  o 12.59661 5.067732  ?              ?        
1 1 1 20  19 9  o 10.08739 4.516943  ?              ?        
1 1 1 20  19 10 o 22.72414 4.841495  ?              ?        
1 1 1 20  19 11 o 10.89374 4.691694  ?              ?        
1 1 1 20  20 0  o 28.87006 4.455047  22.59587       8.910094 
1 1 1 20  20 1  o 17.89321 4.466942  -8.146198      8.933885 
1 1 1 20  20 2  o 22.96043 4.709985  -8.913624      9.419970 
1 1 1 20  20 3  o 11.28767 3.662610  -0.8936310E-01 7.325219 
1 1 1 20  20 4  o 15.56418 5.952252  ?              ?        
1 1 1 20  20 5  o 13.89436 5.612438  ?              ?        
1 1 1 20  20 6  o 17.20570 5.681947  ?              ?        
1 1 1 20  20 7  o 17.51930 5.609083  ?              ?        
1 1 1 20  20 8  o 20.36490 5.070114  ?              ?        
1 1 1 20  20 9  o 30.59161 6.827658  ?              ?        
1 1 1 20  21 0  o 34.36809 4.222072  -4.193604      8.444143 
1 1 1 20  21 1  o 20.81997 4.892680  -1.136997      9.785359 
1 1 1 20  21 2  o 12.65633 3.985915  5.360140       7.971830 
1 1 1 20  21 3  o 24.18340 6.028861  ?              ?        
1 1 1 20  21 4  o 23.33955 5.905339  ?              ?        
1 1 1 20  21 5  o 16.50340 5.907380  ?              ?        
1 1 1 20  21 6  o 12.58671 5.555537  ?              ?        
1 1 1 20  21 7  o 12.93027 5.155858  ?              ?        
1 1 1 20  22 0  o 22.07001 5.628807  -1.356535      11.25761 
1 1 1 20  22 1  o 14.62804 4.258899  -1.612231      8.517797 
1 1 1 20  22 2  f 30.41341 6.415353  ?              ?        
1 1 1 20  22 3  o 13.39419 5.686450  ?              ?        
1 1 1 20  22 4  o 29.47549 5.748247  ?              ?        
1 1 1 20  22 5  o 20.02202 6.389696  ?              ?        
1 1 1 20  23 0  o 10.35332 4.849603  ?              ?        
1 1 1 20  23 1  o 34.22937 4.668120  ?              ?        
1 1 1 21  0  0  o 146.2081 4.015905  -0.000000      0.000000 
1 1 1 21  0  1  f 160.1511 2.868729  -0.000000      0.000000 
1 1 1 21  0  2  o 146.4904 3.839218  -0.000000      0.000000 
1 1 1 21  0  3  o 94.38336 2.580346  -0.000000      0.000000 
1 1 1 21  0  4  o 88.85748 2.625250  -0.000000      0.000000 
1 1 1 21  0  5  o 14.99228 7.191383  -0.000000      0.000000 
1 1 1 21  0  6  o 36.98454 3.933660  -0.000000      0.000000 
1 1 1 21  0  7  o 55.52742 3.841310  -0.000000      0.000000 
1 1 1 21  0  8  o 50.99996 3.993305  -0.000000      0.000000 
1 1 1 21  0  9  o 90.04050 3.112452  -0.000000      0.000000 
1 1 1 21  0  10 o 5.001835 3.702169  -0.000000      0.000000 
1 1 1 21  0  11 x ?        ?         ?              ?        
1 1 1 21  0  12 x ?        ?         ?              ?        
1 1 1 21  0  13 x ?        ?         ?              ?        
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 x ?        ?         ?              ?        
1 1 1 21  0  19 x ?        ?         ?              ?        
1 1 1 21  0  20 x ?        ?         ?              ?        
1 1 1 21  0  21 x ?        ?         ?              ?        
1 1 1 21  1  0  o 53.53944 3.089090  3.997578       6.178181 
1 1 1 21  1  1  o 66.40492 1.886565  1.119774       3.773129 
1 1 1 21  1  2  o 60.41198 2.596663  -4.616718      5.193326 
1 1 1 21  1  3  o 49.20565 2.210953  -2.953751      4.421906 
1 1 1 21  1  4  o 43.21488 3.785387  ?              ?        
1 1 1 21  1  5  o 31.78161 2.946927  -0.4119492     5.893853 
1 1 1 21  1  6  o 31.80129 3.592556  1.108971       7.185113 
1 1 1 21  1  7  o 21.43196 5.521654  ?              ?        
1 1 1 21  1  8  o 73.89517 2.492600  -3.635620      4.985200 
1 1 1 21  1  9  o 134.5532 2.498297  -10.98434      4.996594 
1 1 1 21  1  10 o 70.56559 1.969353  -12.29016      3.938707 
1 1 1 21  1  11 x ?        ?         ?              ?        
1 1 1 21  1  12 x ?        ?         ?              ?        
1 1 1 21  1  13 x ?        ?         ?              ?        
1 1 1 21  1  14 x ?        ?         ?              ?        
1 1 1 21  1  15 x ?        ?         ?              ?        
1 1 1 21  1  16 x ?        ?         ?              ?        
1 1 1 21  1  17 x ?        ?         ?              ?        
1 1 1 21  1  18 x ?        ?         ?              ?        
1 1 1 21  1  19 x ?        ?         ?              ?        
1 1 1 21  1  20 x ?        ?         ?              ?        
1 1 1 21  1  21 x ?        ?         ?              ?        
1 1 1 21  2  0  o 73.34190 2.619593  -6.008537      5.239187 
1 1 1 21  2  1  o 40.00040 2.959743  -7.953293      5.919487 
1 1 1 21  2  2  o 64.79259 2.249321  -13.33195      4.498642 
1 1 1 21  2  3  f 67.76807 2.316399  -0.2173233     4.632797 
1 1 1 21  2  4  o 70.37360 1.982640  2.894814       3.965280 
1 1 1 21  2  5  f 43.69796 2.655391  8.949104       5.310782 
1 1 1 21  2  6  o 76.94176 2.206681  5.008743       4.413361 
1 1 1 21  2  7  f 132.2923 2.365348  -4.013321      4.730696 
1 1 1 21  2  8  o 83.34554 2.138463  5.832878       4.276927 
1 1 1 21  2  9  o 26.35730 4.161819  5.373247       8.323638 
1 1 1 21  2  10 o 88.86769 1.964000  -0.7964249     3.927999 
1 1 1 21  2  11 x ?        ?         ?              ?        
1 1 1 21  2  12 x ?        ?         ?              ?        
1 1 1 21  2  13 x ?        ?         ?              ?        
1 1 1 21  2  14 x ?        ?         ?              ?        
1 1 1 21  2  15 x ?        ?         ?              ?        
1 1 1 21  2  16 x ?        ?         ?              ?        
1 1 1 21  2  17 x ?        ?         ?              ?        
1 1 1 21  2  18 x ?        ?         ?              ?        
1 1 1 21  2  19 x ?        ?         ?              ?        
1 1 1 21  2  20 x ?        ?         ?              ?        
1 1 1 21  2  21 x ?        ?         ?              ?        
1 1 1 21  3  0  o 47.45461 3.282118  8.854256       6.564235 
1 1 1 21  3  1  o 64.27367 5.540493  ?              ?        
1 1 1 21  3  2  o 92.46827 2.055246  -1.730042      4.110492 
1 1 1 21  3  3  o 21.91021 4.028308  7.836502       8.056616 
1 1 1 21  3  4  o 47.50095 2.735895  -3.468937      5.471791 
1 1 1 21  3  5  o 132.4683 2.310313  -1.416031      4.620626 
1 1 1 21  3  6  o 122.8605 2.226740  -4.244881      4.453481 
1 1 1 21  3  7  o 49.79543 2.666321  -0.9685211     5.332642 
1 1 1 21  3  8  o 105.5298 2.096552  -6.412994      4.193103 
1 1 1 21  3  9  o 29.04382 4.230709  -1.334740      8.461418 
1 1 1 21  3  10 o 21.23906 3.963838  -1.118181      7.927676 
1 1 1 21  3  11 o 36.37534 2.785206  ?              ?        
1 1 1 21  3  12 o 44.22639 2.064854  ?              ?        
1 1 1 21  3  13 x ?        ?         ?              ?        
1 1 1 21  3  14 x ?        ?         ?              ?        
1 1 1 21  3  15 x ?        ?         ?              ?        
1 1 1 21  3  16 x ?        ?         ?              ?        
1 1 1 21  3  17 x ?        ?         ?              ?        
1 1 1 21  3  18 x ?        ?         ?              ?        
1 1 1 21  3  19 x ?        ?         ?              ?        
1 1 1 21  3  20 x ?        ?         ?              ?        
1 1 1 21  3  21 x ?        ?         ?              ?        
1 1 1 21  4  0  o 34.82724 2.836239  1.519543       5.672478 
1 1 1 21  4  1  o 70.21373 3.429869  -6.738380      6.859739 
1 1 1 21  4  2  o 33.55411 2.999789  5.791119       5.999578 
1 1 1 21  4  3  f 87.31097 2.302393  -0.3530884     4.604786 
1 1 1 21  4  4  o 45.38356 2.991027  -0.5163155     5.982054 
1 1 1 21  4  5  o 97.53376 2.235216  -10.31256      4.470433 
1 1 1 21  4  6  f 86.47994 4.105456  ?              ?        
1 1 1 21  4  7  o 62.15490 2.406834  -4.414116      4.813667 
1 1 1 21  4  8  o 92.54076 1.833122  ?              ?        
1 1 1 21  4  9  o 78.21748 2.105082  -2.589592      4.210163 
1 1 1 21  4  10 o 42.90902 2.448678  4.248260       4.897356 
1 1 1 21  4  11 o 39.35988 2.497710  ?              ?        
1 1 1 21  4  12 o 50.19120 2.109594  ?              ?        
1 1 1 21  4  13 o 11.85327 4.391803  ?              ?        
1 1 1 21  4  14 x ?        ?         ?              ?        
1 1 1 21  4  15 x ?        ?         ?              ?        
1 1 1 21  4  16 x ?        ?         ?              ?        
1 1 1 21  4  17 x ?        ?         ?              ?        
1 1 1 21  4  18 x ?        ?         ?              ?        
1 1 1 21  4  19 x ?        ?         ?              ?        
1 1 1 21  4  20 x ?        ?         ?              ?        
1 1 1 21  4  21 x ?        ?         ?              ?        
1 1 1 21  5  0  o 130.5102 1.993588  -7.642921      3.987176 
1 1 1 21  5  1  o 143.2082 3.287585  ?              ?        
1 1 1 21  5  2  o 136.9336 2.473191  -1.688446      4.946381 
1 1 1 21  5  3  o 50.05773 5.337703  ?              ?        
1 1 1 21  5  4  f 63.41074 2.592384  -4.916367      5.184767 
1 1 1 21  5  5  o 85.07954 2.394564  -2.236015      4.789127 
1 1 1 21  5  6  o 51.91413 2.711449  0.7035904      5.422897 
1 1 1 21  5  7  o 103.4573 2.197188  5.698547       4.394376 
1 1 1 21  5  8  o 68.97816 2.221485  4.261276       4.442970 
1 1 1 21  5  9  o 80.91019 2.062356  -13.41185      4.124713 
1 1 1 21  5  10 o 8.887435 3.832765  ?              ?        
1 1 1 21  5  11 o 82.82093 1.731321  ?              ?        
1 1 1 21  5  12 o 16.03621 4.442895  ?              ?        
1 1 1 21  5  13 o 70.86399 2.109276  ?              ?        
1 1 1 21  5  14 o 55.61208 1.673694  ?              ?        
1 1 1 21  5  15 x ?        ?         ?              ?        
1 1 1 21  5  16 x ?        ?         ?              ?        
1 1 1 21  5  17 x ?        ?         ?              ?        
1 1 1 21  5  18 x ?        ?         ?              ?        
1 1 1 21  5  19 x ?        ?         ?              ?        
1 1 1 21  5  20 x ?        ?         ?              ?        
1 1 1 21  6  0  o 125.7881 2.566992  3.033661       5.133984 
1 1 1 21  6  1  o 27.50405 4.326796  -2.249611      8.653591 
1 1 1 21  6  2  o 74.85333 1.914163  ?              ?        
1 1 1 21  6  3  o 76.81036 2.659824  -16.25075      5.319648 
1 1 1 21  6  4  o 49.09502 6.341644  ?              ?        
1 1 1 21  6  5  o 80.21829 2.487262  -4.012108      4.974525 
1 1 1 21  6  6  o 95.53512 2.369244  -9.223267      4.738488 
1 1 1 21  6  7  o 63.95787 2.548689  -12.80497      5.097378 
1 1 1 21  6  8  o 74.23296 2.343483  -11.17206      4.686965 
1 1 1 21  6  9  o 40.84118 1.905328  ?              ?        
1 1 1 21  6  10 o 42.30698 1.937479  ?              ?        
1 1 1 21  6  11 o 13.79435 3.986428  ?              ?        
1 1 1 21  6  12 o 28.50975 2.141066  ?              ?        
1 1 1 21  6  13 o 18.37280 6.394997  ?              ?        
1 1 1 21  6  14 x ?        ?         ?              ?        
1 1 1 21  6  15 o 43.50128 2.165335  ?              ?        
1 1 1 21  6  16 o 33.28110 1.890529  ?              ?        
1 1 1 21  6  17 x ?        ?         ?              ?        
1 1 1 21  6  18 x ?        ?         ?              ?        
1 1 1 21  6  19 x ?        ?         ?              ?        
1 1 1 21  6  20 x ?        ?         ?              ?        
1 1 1 21  7  0  o 17.68836 4.745438  14.07822       9.490876 
1 1 1 21  7  1  o 45.32648 3.603101  1.195229       7.206201 
1 1 1 21  7  2  o 31.24122 4.535921  -5.065405      9.071841 
1 1 1 21  7  3  o 73.40350 2.123710  ?              ?        
1 1 1 21  7  4  o 25.69750 4.686290  22.65605       9.372581 
1 1 1 21  7  5  o 14.44061 4.610654  5.247924       9.221309 
1 1 1 21  7  6  o 70.55748 2.767414  -3.682884      5.534829 
1 1 1 21  7  7  o 42.76237 3.310590  -0.3534470     6.621181 
1 1 1 21  7  8  o 81.55563 2.364015  -3.225014      4.728031 
1 1 1 21  7  9  o 52.13430 2.472504  -3.437943      4.945008 
1 1 1 21  7  10 f 8.001530 3.681156  ?              ?        
1 1 1 21  7  11 o 39.19936 1.838509  ?              ?        
1 1 1 21  7  12 o 16.38660 3.548445  ?              ?        
1 1 1 21  7  13 o 37.25339 1.694170  ?              ?        
1 1 1 21  7  14 o 36.48074 2.593998  ?              ?        
1 1 1 21  7  15 o 11.68568 4.884867  ?              ?        
1 1 1 21  7  16 x ?        ?         ?              ?        
1 1 1 21  7  17 x ?        ?         ?              ?        
1 1 1 21  7  18 x ?        ?         ?              ?        
1 1 1 21  7  19 x ?        ?         ?              ?        
1 1 1 21  7  20 x ?        ?         ?              ?        
1 1 1 21  8  0  o 36.18257 4.361856  7.887188       8.723711 
1 1 1 21  8  1  f 64.31676 3.256437  -5.443970      6.512874 
1 1 1 21  8  2  o 46.37218 3.363497  13.69191       6.726995 
1 1 1 21  8  3  o 13.66020 4.286100  0.1690140      8.572201 
1 1 1 21  8  4  o 13.53194 5.452266  ?              ?        
1 1 1 21  8  5  o 20.30638 5.156220  7.317242       10.31244 
1 1 1 21  8  6  o 86.51826 3.006639  -1.831940      6.013277 
1 1 1 21  8  7  o 108.4075 2.570243  6.210495       5.140486 
1 1 1 21  8  8  o 56.63519 2.860645  0.5673332      5.721290 
1 1 1 21  8  9  o 46.91013 2.732255  2.314651       5.464511 
1 1 1 21  8  10 o 52.22334 2.200143  ?              ?        
1 1 1 21  8  11 o 61.04860 1.949571  ?              ?        
1 1 1 21  8  12 o 39.08730 1.993183  ?              ?        
1 1 1 21  8  13 o 52.18710 2.784227  ?              ?        
1 1 1 21  8  14 o 13.16926 3.154130  ?              ?        
1 1 1 21  8  15 o 33.52254 2.800277  ?              ?        
1 1 1 21  8  16 o 10.34184 4.175188  ?              ?        
1 1 1 21  8  17 x ?        ?         ?              ?        
1 1 1 21  8  18 x ?        ?         ?              ?        
1 1 1 21  8  19 x ?        ?         ?              ?        
1 1 1 21  9  0  o 85.10153 3.134948  -7.438751      6.269896 
1 1 1 21  9  1  o 61.45958 3.471256  -10.31930      6.942513 
1 1 1 21  9  2  o 62.27676 3.279237  3.838257       6.558474 
1 1 1 21  9  3  o 59.96504 3.234729  0.2108765      6.469459 
1 1 1 21  9  4  o 22.45813 5.408315  5.647985       10.81663 
1 1 1 21  9  5  o 21.05145 6.097986  ?              ?        
1 1 1 21  9  6  o 44.71766 3.774953  9.939754       7.549905 
1 1 1 21  9  7  f 89.91531 3.105727  -1.441299      6.211454 
1 1 1 21  9  8  o 81.98102 2.449221  0.3628464      4.898443 
1 1 1 21  9  9  o 16.71177 5.417730  ?              ?        
1 1 1 21  9  10 o 38.21088 3.629689  ?              ?        
1 1 1 21  9  11 o 17.40430 4.626956  ?              ?        
1 1 1 21  9  12 o 15.56625 4.680313  ?              ?        
1 1 1 21  9  13 x ?        ?         ?              ?        
1 1 1 21  9  14 f 18.28806 5.161803  ?              ?        
1 1 1 21  9  15 o 23.77211 2.045911  ?              ?        
1 1 1 21  9  16 o 18.11773 4.198169  ?              ?        
1 1 1 21  9  17 x ?        ?         ?              ?        
1 1 1 21  9  18 x ?        ?         ?              ?        
1 1 1 21  9  19 x ?        ?         ?              ?        
1 1 1 21  10 0  o 83.05264 4.398546  ?              ?        
1 1 1 21  10 1  o 33.43131 4.591920  35.84130       9.183840 
1 1 1 21  10 2  o 48.28271 3.746497  9.532288       7.492993 
1 1 1 21  10 3  o 51.61198 3.652714  4.004238       7.305429 
1 1 1 21  10 4  o 87.84175 3.002012  -2.464867      6.004023 
1 1 1 21  10 5  o 44.81166 4.031199  8.481396       8.062397 
1 1 1 21  10 6  o 26.71902 4.737231  -14.63833      9.474462 
1 1 1 21  10 7  o 54.36939 3.277353  -1.373016      6.554706 
1 1 1 21  10 8  o 75.05759 2.628324  -0.6416016     5.256648 
1 1 1 21  10 9  o 32.31623 4.024016  ?              ?        
1 1 1 21  10 10 o 13.31208 5.223984  ?              ?        
1 1 1 21  10 11 o 49.22656 2.412503  ?              ?        
1 1 1 21  10 12 o 47.57477 2.230543  ?              ?        
1 1 1 21  10 13 o 36.16053 2.809666  ?              ?        
1 1 1 21  10 14 o 37.52209 2.317088  ?              ?        
1 1 1 21  10 15 o 14.79438 4.276955  ?              ?        
1 1 1 21  10 16 o 41.78574 4.449295  ?              ?        
1 1 1 21  10 17 x ?        ?         ?              ?        
1 1 1 21  10 18 x ?        ?         ?              ?        
1 1 1 21  11 0  o 35.31883 6.248658  4.998684       12.49732 
1 1 1 21  11 1  o 75.34679 3.660077  -0.1564102     7.320154 
1 1 1 21  11 2  o 58.81663 3.637560  -6.105408      7.275121 
1 1 1 21  11 3  o 115.9745 3.028406  -14.53233      6.056811 
1 1 1 21  11 4  o 50.02655 4.067502  -5.987350      8.135004 
1 1 1 21  11 5  f 29.66642 5.224891  -7.879877      10.44978 
1 1 1 21  11 6  f 45.48759 3.804876  0.4524269      7.609751 
1 1 1 21  11 7  o 37.10760 4.174184  -6.715099      8.348369 
1 1 1 21  11 8  o 17.17449 6.202228  ?              ?        
1 1 1 21  11 9  o 33.28030 4.444131  ?              ?        
1 1 1 21  11 10 o 15.94533 6.380730  ?              ?        
1 1 1 21  11 11 o 97.00198 2.234640  ?              ?        
1 1 1 21  11 12 f 36.74836 2.771210  ?              ?        
1 1 1 21  11 13 o 31.57517 2.891958  ?              ?        
1 1 1 21  11 14 o 30.63651 2.672036  ?              ?        
1 1 1 21  11 15 o 19.89725 4.802029  ?              ?        
1 1 1 21  11 16 o 33.36435 4.023038  ?              ?        
1 1 1 21  11 17 x ?        ?         ?              ?        
1 1 1 21  11 18 x ?        ?         ?              ?        
1 1 1 21  12 0  o 22.94762 5.247908  -10.81223      10.49582 
1 1 1 21  12 1  o 32.28747 5.799984  1.119450       11.59997 
1 1 1 21  12 2  o 97.23685 3.734007  -1.154350      7.468013 
1 1 1 21  12 3  o 18.02879 5.453518  -2.658266      10.90704 
1 1 1 21  12 4  o 39.25143 5.549055  0.7591133      11.09811 
1 1 1 21  12 5  o 61.71774 3.584174  -7.224400      7.168348 
1 1 1 21  12 6  o 115.7617 2.839196  -5.626854      5.678392 
1 1 1 21  12 7  o 68.53374 2.972565  -7.241928      5.945129 
1 1 1 21  12 8  o 45.61011 4.084862  ?              ?        
1 1 1 21  12 9  o 12.74354 5.611351  ?              ?        
1 1 1 21  12 10 o 88.09245 2.441946  ?              ?        
1 1 1 21  12 11 o 47.54596 2.762529  ?              ?        
1 1 1 21  12 12 o 57.00604 3.220124  ?              ?        
1 1 1 21  12 13 o 16.46976 4.690103  ?              ?        
1 1 1 21  12 14 o 15.70405 4.458308  ?              ?        
1 1 1 21  12 15 o 19.54778 4.947965  ?              ?        
1 1 1 21  12 16 o 17.86845 4.933574  ?              ?        
1 1 1 21  12 17 x ?        ?         ?              ?        
1 1 1 21  13 0  o 18.68045 5.540232  0.1820145      11.08046 
1 1 1 21  13 1  o 87.89851 3.492791  ?              ?        
1 1 1 21  13 2  f 80.17218 3.351796  9.180344       6.703591 
1 1 1 21  13 3  o 30.44835 5.751385  4.380077       11.50277 
1 1 1 21  13 4  o 21.72483 6.013947  -8.925892      12.02789 
1 1 1 21  13 5  o 100.7836 3.056524  -1.532722      6.113047 
1 1 1 21  13 6  o 61.88190 3.532638  7.424953       7.065276 
1 1 1 21  13 7  o 23.32862 5.561261  -3.307989      11.12252 
1 1 1 21  13 8  o 57.21361 3.625565  ?              ?        
1 1 1 21  13 9  o 51.72118 3.686306  ?              ?        
1 1 1 21  13 10 o 26.26163 4.870728  ?              ?        
1 1 1 21  13 11 o 42.63382 3.536259  ?              ?        
1 1 1 21  13 12 o 17.72424 5.652752  ?              ?        
1 1 1 21  13 13 o 30.01997 2.899789  ?              ?        
1 1 1 21  13 14 o 27.08041 2.925096  ?              ?        
1 1 1 21  13 15 o 17.31203 4.999357  ?              ?        
1 1 1 21  13 16 o 10.72610 4.659260  ?              ?        
1 1 1 21  14 0  o 15.43812 4.967467  0.6033421      9.934934 
1 1 1 21  14 1  o 53.86148 4.359256  -7.019875      8.718512 
1 1 1 21  14 2  o 25.27087 5.736948  -4.019011      11.47390 
1 1 1 21  14 3  o 80.32098 3.493685  ?              ?        
1 1 1 21  14 4  o 58.22916 3.663340  4.588326       7.326679 
1 1 1 21  14 5  o 22.29397 5.375055  -3.604975      10.75011 
1 1 1 21  14 6  o 22.98561 5.958817  -8.715157      11.91763 
1 1 1 21  14 7  o 65.88908 3.350344  ?              ?        
1 1 1 21  14 8  o 41.96495 4.120418  ?              ?        
1 1 1 21  14 9  o 33.90017 4.393558  ?              ?        
1 1 1 21  14 10 o 33.48790 3.997088  ?              ?        
1 1 1 21  14 11 o 19.20507 5.436698  ?              ?        
1 1 1 21  14 12 o 25.81986 3.733799  ?              ?        
1 1 1 21  14 13 o 13.69627 4.597212  ?              ?        
1 1 1 21  14 14 o 24.84010 3.181357  ?              ?        
1 1 1 21  14 15 o 37.57659 3.446540  ?              ?        
1 1 1 21  15 0  o 54.57078 4.109207  3.538235       8.218414 
1 1 1 21  15 1  o 35.59222 5.405964  13.24084       10.81193 
1 1 1 21  15 2  o 58.78995 3.889395  -9.117733      7.778790 
1 1 1 21  15 3  o 30.88150 4.947036  -17.58844      9.894073 
1 1 1 21  15 4  o 55.12466 3.706791  -4.752769      7.413583 
1 1 1 21  15 5  o 28.95619 6.037086  ?              ?        
1 1 1 21  15 6  o 40.47656 4.409439  1.507496       8.818877 
1 1 1 21  15 7  o 27.00726 5.856781  ?              ?        
1 1 1 21  15 8  o 23.45729 8.287443  ?              ?        
1 1 1 21  15 9  o 21.09346 5.160968  ?              ?        
1 1 1 21  15 10 o 35.63271 3.329420  ?              ?        
1 1 1 21  15 11 o 9.879099 4.341625  ?              ?        
1 1 1 21  15 12 o 29.65424 3.224174  ?              ?        
1 1 1 21  15 13 o 33.13980 3.070482  ?              ?        
1 1 1 21  15 14 x ?        ?         ?              ?        
1 1 1 21  16 0  o 34.32544 6.228695  -6.030251      12.45739 
1 1 1 21  16 1  o 61.56216 3.756591  -2.022282      7.513183 
1 1 1 21  16 2  o 19.71667 5.209007  -3.205099      10.41801 
1 1 1 21  16 3  o 27.45398 5.114481  -7.156664      10.22896 
1 1 1 21  16 4  o 47.01805 3.794622  6.136166       7.589244 
1 1 1 21  16 5  o 14.84321 4.648574  3.000214       9.297148 
1 1 1 21  16 6  o 23.99413 6.107817  ?              ?        
1 1 1 21  16 7  o 25.03764 5.674792  ?              ?        
1 1 1 21  16 8  o 30.59721 4.927923  ?              ?        
1 1 1 21  16 9  o 11.05993 4.700299  ?              ?        
1 1 1 21  16 10 o 8.755802 4.297376  ?              ?        
1 1 1 21  16 11 o 25.21596 5.575515  ?              ?        
1 1 1 21  16 12 o 22.20199 4.364777  ?              ?        
1 1 1 21  16 13 o 25.40124 3.600132  ?              ?        
1 1 1 21  17 0  o 22.62952 5.942506  4.699274       11.88501 
1 1 1 21  17 1  o 20.18344 5.045775  15.13622       10.09155 
1 1 1 21  17 2  o 30.98763 5.187950  5.791628       10.37590 
1 1 1 21  17 3  o 34.00074 5.154168  10.31175       10.30834 
1 1 1 21  17 4  o 22.17173 5.132130  0.3429070      10.26426 
1 1 1 21  17 5  o 26.33379 3.999746  -20.86331      7.999492 
1 1 1 21  17 6  o 19.72972 6.251953  ?              ?        
1 1 1 21  17 7  o 19.09067 6.112771  ?              ?        
1 1 1 21  17 8  o 26.37014 5.414740  ?              ?        
1 1 1 21  17 9  o 17.34233 5.762317  ?              ?        
1 1 1 21  17 10 o 34.98428 3.281410  ?              ?        
1 1 1 21  17 11 o 8.909604 4.066498  ?              ?        
1 1 1 21  17 12 o 7.743628 3.714391  ?              ?        
1 1 1 21  18 0  o 14.78006 6.220963  ?              ?        
1 1 1 21  18 1  o 25.27668 5.499151  0.1890030      10.99830 
1 1 1 21  18 2  o 29.94735 4.707202  11.24591       9.414405 
1 1 1 21  18 3  o 15.98813 4.969564  -0.5240326     9.939128 
1 1 1 21  18 4  o 25.94676 4.806986  16.26311       9.613972 
1 1 1 21  18 5  o 34.40768 4.703953  ?              ?        
1 1 1 21  18 6  o 19.13728 6.375376  ?              ?        
1 1 1 21  18 7  o 38.18385 5.060479  ?              ?        
1 1 1 21  18 8  o 18.76398 5.521764  ?              ?        
1 1 1 21  18 9  o 26.88242 4.274384  ?              ?        
1 1 1 21  18 10 o 15.02509 5.170146  ?              ?        
1 1 1 21  18 11 o 17.37862 5.067982  ?              ?        
1 1 1 21  19 0  o 27.88910 4.841123  -5.570612      9.682245 
1 1 1 21  19 1  o 31.15462 4.678166  -19.85366      9.356332 
1 1 1 21  19 2  o 54.74678 3.775633  ?              ?        
1 1 1 21  19 3  o 11.24727 5.110733  ?              ?        
1 1 1 21  19 4  o 15.91360 4.433098  -1.962697      8.866196 
1 1 1 21  19 5  o 10.18745 4.781825  ?              ?        
1 1 1 21  19 6  o 29.40290 8.601914  ?              ?        
1 1 1 21  19 7  o 12.64757 5.380581  ?              ?        
1 1 1 21  19 8  o 19.27114 4.885421  ?              ?        
1 1 1 21  19 9  o 34.95819 3.146981  ?              ?        
1 1 1 21  20 0  o 51.00661 3.126739  0.1796837      6.253479 
1 1 1 21  20 1  o 19.24390 4.724590  -11.31338      9.449181 
1 1 1 21  20 2  f 17.11417 4.491621  -3.636689      8.983242 
1 1 1 21  20 3  o 22.73701 4.434389  -4.691385      8.868778 
1 1 1 21  20 4  o 16.95918 5.882453  ?              ?        
1 1 1 21  20 5  o 16.97641 5.758329  ?              ?        
1 1 1 21  20 6  o 18.56929 6.123967  ?              ?        
1 1 1 21  20 7  o 11.27865 4.989119  ?              ?        
1 1 1 21  21 0  o 15.57892 4.404387  -3.521283      8.808773 
1 1 1 21  21 1  o 16.48266 4.687129  5.079761       9.374257 
1 1 1 21  21 2  o 8.863702 3.085112  1.363871       6.170225 
1 1 1 21  21 3  o 9.735706 4.524709  ?              ?        
1 1 1 21  21 4  o 12.58373 5.528106  ?              ?        
1 1 1 21  21 5  o 12.76367 5.399747  ?              ?        
1 1 1 21  22 0  o 15.46173 4.823147  -0.9888859     9.646295 
1 1 1 21  22 1  o 10.52807 3.694109  -2.590804      7.388217 
1 1 1 21  22 2  o 19.18680 6.065464  ?              ?        
1 1 1 22  0  0  x ?        ?         ?              ?        
1 1 1 22  0  1  o 19.85432 9.167790  -0.000000      0.000000 
1 1 1 22  0  2  f 22.84550 6.985785  -0.000000      0.000000 
1 1 1 22  0  3  o 13.95626 8.146773  -0.000000      0.000000 
1 1 1 22  0  4  o 14.23180 7.474791  -0.000000      0.000000 
1 1 1 22  0  5  o 19.16203 7.669866  -0.000000      0.000000 
1 1 1 22  0  6  o 42.89921 3.941521  -0.000000      0.000000 
1 1 1 22  0  7  o 43.08736 4.879485  -0.000000      0.000000 
1 1 1 22  0  8  x ?        ?         ?              ?        
1 1 1 22  0  9  f 24.96581 7.795116  -0.000000      0.000000 
1 1 1 22  0  10 o 70.76405 2.905965  -0.000000      0.000000 
1 1 1 22  0  11 x ?        ?         ?              ?        
1 1 1 22  0  12 x ?        ?         ?              ?        
1 1 1 22  0  13 x ?        ?         ?              ?        
1 1 1 22  0  14 x ?        ?         ?              ?        
1 1 1 22  0  15 x ?        ?         ?              ?        
1 1 1 22  0  16 x ?        ?         ?              ?        
1 1 1 22  0  17 x ?        ?         ?              ?        
1 1 1 22  0  18 x ?        ?         ?              ?        
1 1 1 22  0  19 x ?        ?         ?              ?        
1 1 1 22  0  20 x ?        ?         ?              ?        
1 1 1 22  1  0  x ?        ?         ?              ?        
1 1 1 22  1  1  o 110.2404 2.862232  -19.02813      5.724464 
1 1 1 22  1  2  o 36.72799 2.854216  1.257729       5.708431 
1 1 1 22  1  3  o 89.82790 2.613508  -2.395676      5.227016 
1 1 1 22  1  4  o 60.46729 2.220572  2.232334       4.441143 
1 1 1 22  1  5  o 62.73515 2.173468  0.8395233      4.346935 
1 1 1 22  1  6  o 105.9705 2.287922  -0.9694061     4.575844 
1 1 1 22  1  7  o 51.36438 2.724460  -2.804707      5.448920 
1 1 1 22  1  8  o 40.95867 5.100753  ?              ?        
1 1 1 22  1  9  o 29.30832 4.293687  -1.141466      8.587375 
1 1 1 22  1  10 o 23.31545 3.689018  -14.49545      7.378036 
1 1 1 22  1  11 o 27.60114 2.448310  ?              ?        
1 1 1 22  1  12 x ?        ?         ?              ?        
1 1 1 22  1  13 x ?        ?         ?              ?        
1 1 1 22  1  14 x ?        ?         ?              ?        
1 1 1 22  1  15 x ?        ?         ?              ?        
1 1 1 22  1  16 x ?        ?         ?              ?        
1 1 1 22  1  17 x ?        ?         ?              ?        
1 1 1 22  1  18 x ?        ?         ?              ?        
1 1 1 22  1  19 x ?        ?         ?              ?        
1 1 1 22  1  20 x ?        ?         ?              ?        
1 1 1 22  2  0  o 68.49727 2.146468  0.2098770      4.292937 
1 1 1 22  2  1  o 81.51845 2.701606  -3.532005      5.403212 
1 1 1 22  2  2  o 105.1455 1.915917  -1.073219      3.831835 
1 1 1 22  2  3  o 27.55818 4.202071  11.46905       8.404141 
1 1 1 22  2  4  o 53.15847 2.345502  9.400879       4.691005 
1 1 1 22  2  5  o 77.87418 2.397571  4.191391       4.795143 
1 1 1 22  2  6  o 16.97750 4.542809  0.8263550      9.085618 
1 1 1 22  2  7  o 55.69410 2.798959  -6.919823      5.597918 
1 1 1 22  2  8  o 43.19363 2.985327  1.971283       5.970654 
1 1 1 22  2  9  o 39.70328 3.124215  1.257275       6.248429 
1 1 1 22  2  10 o 28.18650 3.331851  3.466919       6.663703 
1 1 1 22  2  11 o 51.46519 2.088028  ?              ?        
1 1 1 22  2  12 x ?        ?         ?              ?        
1 1 1 22  2  13 x ?        ?         ?              ?        
1 1 1 22  2  14 x ?        ?         ?              ?        
1 1 1 22  2  15 x ?        ?         ?              ?        
1 1 1 22  2  16 x ?        ?         ?              ?        
1 1 1 22  2  17 x ?        ?         ?              ?        
1 1 1 22  2  18 x ?        ?         ?              ?        
1 1 1 22  2  19 x ?        ?         ?              ?        
1 1 1 22  2  20 x ?        ?         ?              ?        
1 1 1 22  3  0  o 102.9365 1.918140  0.8015060      3.836279 
1 1 1 22  3  1  o 20.69318 5.282744  11.35648       10.56549 
1 1 1 22  3  2  o 59.22395 2.450673  4.622604       4.901347 
1 1 1 22  3  3  o 17.39332 4.423915  -4.206742      8.847831 
1 1 1 22  3  4  o 51.29727 2.850245  -4.782295      5.700491 
1 1 1 22  3  5  o 86.86089 2.332488  4.711037       4.664977 
1 1 1 22  3  6  o 37.14305 3.705581  -7.339958      7.411162 
1 1 1 22  3  7  f 38.22118 3.420046  1.471378       6.840092 
1 1 1 22  3  8  o 13.25779 5.239156  ?              ?        
1 1 1 22  3  9  o 64.87156 2.396478  -12.83270      4.792957 
1 1 1 22  3  10 o 30.74804 3.009082  -4.520441      6.018164 
1 1 1 22  3  11 o 12.47916 4.794358  ?              ?        
1 1 1 22  3  12 o 45.36901 2.030239  ?              ?        
1 1 1 22  3  13 x ?        ?         ?              ?        
1 1 1 22  3  14 x ?        ?         ?              ?        
1 1 1 22  3  15 x ?        ?         ?              ?        
1 1 1 22  3  16 x ?        ?         ?              ?        
1 1 1 22  3  17 x ?        ?         ?              ?        
1 1 1 22  3  18 x ?        ?         ?              ?        
1 1 1 22  3  19 x ?        ?         ?              ?        
1 1 1 22  3  20 x ?        ?         ?              ?        
1 1 1 22  4  0  o 102.9275 1.955832  -2.512817      3.911664 
1 1 1 22  4  1  o 103.9486 1.970021  5.646049       3.940043 
1 1 1 22  4  2  o 54.94854 2.416963  -9.031364      4.833926 
1 1 1 22  4  3  o 78.94003 4.587753  ?              ?        
1 1 1 22  4  4  o 43.31321 3.254455  5.033951       6.508911 
1 1 1 22  4  5  o 32.28160 4.135015  -3.002413      8.270029 
1 1 1 22  4  6  o 113.5842 2.362358  4.660057       4.724716 
1 1 1 22  4  7  o 32.27184 3.825680  1.118145       7.651359 
1 1 1 22  4  8  o 59.68837 1.998120  ?              ?        
1 1 1 22  4  9  o 47.81068 2.429525  5.133823       4.859050 
1 1 1 22  4  10 o 51.03931 1.946006  3.061436       3.892013 
1 1 1 22  4  11 o 46.98726 2.278699  ?              ?        
1 1 1 22  4  12 o 34.93871 3.266591  ?              ?        
1 1 1 22  4  13 o 10.62983 4.088784  ?              ?        
1 1 1 22  4  14 x ?        ?         ?              ?        
1 1 1 22  4  15 x ?        ?         ?              ?        
1 1 1 22  4  16 x ?        ?         ?              ?        
1 1 1 22  4  17 x ?        ?         ?              ?        
1 1 1 22  4  18 x ?        ?         ?              ?        
1 1 1 22  4  19 x ?        ?         ?              ?        
1 1 1 22  5  0  o 46.36101 2.936841  -9.767315      5.873681 
1 1 1 22  5  1  o 41.88774 4.010992  -11.30882      8.021984 
1 1 1 22  5  2  o 94.42882 1.814354  ?              ?        
1 1 1 22  5  3  o 15.80265 4.572938  6.078984       9.145877 
1 1 1 22  5  4  o 80.57433 4.833121  ?              ?        
1 1 1 22  5  5  o 58.55169 2.894712  -1.400749      5.789425 
1 1 1 22  5  6  o 24.15721 4.298205  2.697260       8.596410 
1 1 1 22  5  7  o 45.63125 2.963711  -0.5003204     5.927421 
1 1 1 22  5  8  o 32.71115 7.081955  ?              ?        
1 1 1 22  5  9  o 80.88488 3.772458  ?              ?        
1 1 1 22  5  10 o 43.46466 2.072506  ?              ?        
1 1 1 22  5  11 o 8.827640 3.855105  ?              ?        
1 1 1 22  5  12 x ?        ?         ?              ?        
1 1 1 22  5  13 o 52.72572 2.376996  ?              ?        
1 1 1 22  5  14 o 25.17979 2.526986  ?              ?        
1 1 1 22  5  15 x ?        ?         ?              ?        
1 1 1 22  5  16 x ?        ?         ?              ?        
1 1 1 22  5  17 x ?        ?         ?              ?        
1 1 1 22  5  18 x ?        ?         ?              ?        
1 1 1 22  5  19 x ?        ?         ?              ?        
1 1 1 22  6  0  o 62.35878 2.896203  15.33340       5.792407 
1 1 1 22  6  1  f 22.51446 5.051742  4.188116       10.10348 
1 1 1 22  6  2  o 20.64038 4.496027  -2.106354      8.992055 
1 1 1 22  6  3  o 62.45672 2.989943  13.50712       5.979886 
1 1 1 22  6  4  o 26.76955 4.886044  0.2330856      9.772088 
1 1 1 22  6  5  o 107.4563 2.658953  -5.533333      5.317907 
1 1 1 22  6  6  o 64.72946 2.622385  -1.340309      5.244770 
1 1 1 22  6  7  o 48.77200 3.154571  -5.505997      6.309143 
1 1 1 22  6  8  o 134.3481 2.360464  -4.388779      4.720928 
1 1 1 22  6  9  o 28.11726 3.526154  4.479723       7.052309 
1 1 1 22  6  10 o 49.78366 1.776609  ?              ?        
1 1 1 22  6  11 o 75.08297 1.757203  ?              ?        
1 1 1 22  6  12 o 62.86616 1.918354  ?              ?        
1 1 1 22  6  13 o 45.23226 3.394242  ?              ?        
1 1 1 22  6  14 x ?        ?         ?              ?        
1 1 1 22  6  15 o 9.906053 3.969737  ?              ?        
1 1 1 22  6  16 x ?        ?         ?              ?        
1 1 1 22  6  17 x ?        ?         ?              ?        
1 1 1 22  6  18 x ?        ?         ?              ?        
1 1 1 22  6  19 x ?        ?         ?              ?        
1 1 1 22  7  0  o 17.70597 4.644953  -0.3384399     9.289906 
1 1 1 22  7  1  o 31.52378 4.634634  11.54441       9.269268 
1 1 1 22  7  2  o 58.51028 3.276508  3.434071       6.553015 
1 1 1 22  7  3  o 51.94788 3.571557  -6.168713      7.143114 
1 1 1 22  7  4  o 109.9540 2.619583  -3.868233      5.239167 
1 1 1 22  7  5  o 30.87799 5.002869  0.6628799E-01  10.00574 
1 1 1 22  7  6  o 17.57347 3.900702  -7.432971      7.801404 
1 1 1 22  7  7  o 45.76000 3.288851  -6.439919      6.577702 
1 1 1 22  7  8  o 26.24325 4.260906  -3.618748      8.521812 
1 1 1 22  7  9  o 63.70910 4.094557  ?              ?        
1 1 1 22  7  10 o 41.01255 2.046504  ?              ?        
1 1 1 22  7  11 o 8.789675 3.683585  ?              ?        
1 1 1 22  7  12 o 87.63792 1.826083  ?              ?        
1 1 1 22  7  13 x ?        ?         ?              ?        
1 1 1 22  7  14 o 8.414203 3.753578  ?              ?        
1 1 1 22  7  15 o 11.93414 4.590527  ?              ?        
1 1 1 22  7  16 x ?        ?         ?              ?        
1 1 1 22  7  17 x ?        ?         ?              ?        
1 1 1 22  7  18 x ?        ?         ?              ?        
1 1 1 22  8  0  o 37.27411 4.430233  7.994186       8.860465 
1 1 1 22  8  1  o 24.83102 5.000558  -4.378517      10.00112 
1 1 1 22  8  2  o 44.77940 4.566430  -0.1464920     9.132859 
1 1 1 22  8  3  o 68.88696 3.055573  9.880341       6.111145 
1 1 1 22  8  4  o 35.40965 4.471238  2.145496       8.942476 
1 1 1 22  8  5  o 43.16241 3.743401  0.2425346      7.486801 
1 1 1 22  8  6  o 46.74883 3.824614  5.767883       7.649229 
1 1 1 22  8  7  o 82.34328 2.539483  -0.8882599     5.078967 
1 1 1 22  8  8  o 83.41200 2.470714  -1.086998      4.941427 
1 1 1 22  8  9  o 38.33631 2.853407  7.708855       5.706814 
1 1 1 22  8  10 o 73.56469 1.873891  ?              ?        
1 1 1 22  8  11 o 17.30115 4.436989  ?              ?        
1 1 1 22  8  12 o 15.44784 5.337095  ?              ?        
1 1 1 22  8  13 o 32.24288 1.945576  ?              ?        
1 1 1 22  8  14 o 30.19322 1.815213  ?              ?        
1 1 1 22  8  15 o 16.76438 4.409117  ?              ?        
1 1 1 22  8  16 x ?        ?         ?              ?        
1 1 1 22  8  17 x ?        ?         ?              ?        
1 1 1 22  8  18 x ?        ?         ?              ?        
1 1 1 22  9  0  o 28.33577 5.418046  0.5966492      10.83609 
1 1 1 22  9  1  o 17.81851 5.108915  2.368954       10.21783 
1 1 1 22  9  2  o 30.11447 5.054302  -10.88837      10.10860 
1 1 1 22  9  3  o 72.52367 3.111916  -5.913315      6.223832 
1 1 1 22  9  4  o 83.77358 2.871229  3.373123       5.742459 
1 1 1 22  9  5  f 15.95719 4.645888  -1.326842      9.291776 
1 1 1 22  9  6  o 22.32757 4.967243  -3.606781      9.934485 
1 1 1 22  9  7  f 33.24643 4.353515  -13.12273      8.707029 
1 1 1 22  9  8  o 52.58430 2.928436  -1.165009      5.856872 
1 1 1 22  9  9  o 33.86044 2.976741  ?              ?        
1 1 1 22  9  10 o 40.11588 2.983543  ?              ?        
1 1 1 22  9  11 o 51.19942 3.106769  ?              ?        
1 1 1 22  9  12 x ?        ?         ?              ?        
1 1 1 22  9  13 o 30.81143 2.784340  ?              ?        
1 1 1 22  9  14 o 15.28409 4.776124  ?              ?        
1 1 1 22  9  15 o 24.35656 3.537758  ?              ?        
1 1 1 22  9  16 x ?        ?         ?              ?        
1 1 1 22  9  17 x ?        ?         ?              ?        
1 1 1 22  9  18 x ?        ?         ?              ?        
1 1 1 22  10 0  o 79.33376 5.642079  ?              ?        
1 1 1 22  10 1  o 37.27356 5.202024  -9.711716      10.40405 
1 1 1 22  10 2  o 46.95769 4.681779  -15.85299      9.363558 
1 1 1 22  10 3  o 50.38264 3.731558  3.328514       7.463117 
1 1 1 22  10 4  o 37.53411 4.951619  -12.17251      9.903237 
1 1 1 22  10 5  o 44.96101 4.321005  -9.518826      8.642011 
1 1 1 22  10 6  o 19.61695 4.979124  -1.423456      9.958248 
1 1 1 22  10 7  o 50.12133 3.152845  ?              ?        
1 1 1 22  10 8  o 71.70895 4.397874  ?              ?        
1 1 1 22  10 9  o 24.74142 6.922525  ?              ?        
1 1 1 22  10 10 o 43.12672 2.662781  ?              ?        
1 1 1 22  10 11 o 66.11067 2.034319  ?              ?        
1 1 1 22  10 12 o 12.61820 4.594539  ?              ?        
1 1 1 22  10 13 o 21.16327 4.233584  ?              ?        
1 1 1 22  10 14 o 9.139905 4.069782  ?              ?        
1 1 1 22  10 15 o 10.56849 4.382350  ?              ?        
1 1 1 22  10 16 x ?        ?         ?              ?        
1 1 1 22  10 17 x ?        ?         ?              ?        
1 1 1 22  11 0  o 38.68045 4.943323  17.20395       9.886646 
1 1 1 22  11 1  o 46.62161 4.872765  5.437935       9.745530 
1 1 1 22  11 2  o 100.5439 3.393461  -0.8946152     6.786922 
1 1 1 22  11 3  o 57.38345 3.698951  -2.426945      7.397902 
1 1 1 22  11 4  o 19.57527 5.360003  4.062721       10.72001 
1 1 1 22  11 5  o 18.09666 5.170826  1.655066       10.34165 
1 1 1 22  11 6  o 78.34447 2.822711  1.277962       5.645422 
1 1 1 22  11 7  o 51.62831 3.150680  4.283291       6.301360 
1 1 1 22  11 8  o 54.80221 2.979671  8.429298       5.959342 
1 1 1 22  11 9  o 28.35090 4.463600  ?              ?        
1 1 1 22  11 10 o 75.92776 2.587892  ?              ?        
1 1 1 22  11 11 o 19.40086 4.404543  ?              ?        
1 1 1 22  11 12 o 27.04850 4.328935  ?              ?        
1 1 1 22  11 13 o 23.35692 3.287001  ?              ?        
1 1 1 22  11 14 o 27.74948 3.374346  ?              ?        
1 1 1 22  11 15 o 20.96023 4.572516  ?              ?        
1 1 1 22  11 16 x ?        ?         ?              ?        
1 1 1 22  12 0  o 46.99181 4.312303  ?              ?        
1 1 1 22  12 1  o 70.62886 3.397855  -4.792809      6.795710 
1 1 1 22  12 2  o 28.34562 4.948272  -13.74686      9.896544 
1 1 1 22  12 3  o 55.77304 4.424926  -5.014160      8.849852 
1 1 1 22  12 4  f 64.84633 3.334470  4.539276       6.668940 
1 1 1 22  12 5  o 40.51216 4.651570  12.22806       9.303140 
1 1 1 22  12 6  o 34.51936 4.607550  -7.555780      9.215099 
1 1 1 22  12 7  o 15.87137 4.684407  1.537532       9.368814 
1 1 1 22  12 8  o 47.15743 3.362802  ?              ?        
1 1 1 22  12 9  o 32.84738 4.169597  ?              ?        
1 1 1 22  12 10 o 18.69452 5.055583  ?              ?        
1 1 1 22  12 11 o 42.43177 2.641642  ?              ?        
1 1 1 22  12 12 o 9.149617 4.253489  ?              ?        
1 1 1 22  12 13 o 28.38846 3.825259  ?              ?        
1 1 1 22  12 14 o 22.69808 4.454031  ?              ?        
1 1 1 22  12 15 o 13.36506 5.235438  ?              ?        
1 1 1 22  12 16 x ?        ?         ?              ?        
1 1 1 22  13 0  o 39.21764 4.993498  -2.066101      9.986996 
1 1 1 22  13 1  o 41.99390 4.582483  -1.836563      9.164966 
1 1 1 22  13 2  o 38.24248 4.574343  ?              ?        
1 1 1 22  13 3  o 57.79398 3.757784  -4.162357      7.515569 
1 1 1 22  13 4  o 27.92659 6.174568  5.726250       12.34914 
1 1 1 22  13 5  o 50.86371 3.710244  0.2021599      7.420488 
1 1 1 22  13 6  o 22.40588 5.312879  2.343048       10.62576 
1 1 1 22  13 7  o 74.71214 3.264189  6.115562       6.528378 
1 1 1 22  13 8  o 16.93805 6.607550  ?              ?        
1 1 1 22  13 9  o 64.19730 3.000844  ?              ?        
1 1 1 22  13 10 o 31.85201 3.532965  ?              ?        
1 1 1 22  13 11 o 11.49571 4.696117  ?              ?        
1 1 1 22  13 12 o 36.34224 3.313790  ?              ?        
1 1 1 22  13 13 x ?        ?         ?              ?        
1 1 1 22  13 14 o 12.93945 5.111207  ?              ?        
1 1 1 22  13 15 x ?        ?         ?              ?        
1 1 1 22  14 0  o 17.47275 5.355946  -2.561695      10.71189 
1 1 1 22  14 1  o 42.39165 4.544744  -7.853458      9.089488 
1 1 1 22  14 2  o 54.35984 3.888478  -9.151211      7.776956 
1 1 1 22  14 3  o 16.73037 5.027752  2.594810       10.05550 
1 1 1 22  14 4  o 49.77351 3.989187  ?              ?        
1 1 1 22  14 5  o 47.28896 3.504671  6.840912       7.009343 
1 1 1 22  14 6  o 31.88406 5.536077  -10.00869      11.07215 
1 1 1 22  14 7  o 9.902851 4.734427  ?              ?        
1 1 1 22  14 8  o 73.28999 3.076147  ?              ?        
1 1 1 22  14 9  o 31.12792 4.277742  ?              ?        
1 1 1 22  14 10 o 38.01592 3.028681  ?              ?        
1 1 1 22  14 11 o 31.11979 3.512289  ?              ?        
1 1 1 22  14 12 o 14.20791 4.952552  ?              ?        
1 1 1 22  14 13 o 29.40727 4.051326  ?              ?        
1 1 1 22  14 14 o 19.70738 5.285766  ?              ?        
1 1 1 22  15 0  o 19.89727 5.700973  5.416533       11.40195 
1 1 1 22  15 1  o 36.57156 4.699935  -2.684780      9.399870 
1 1 1 22  15 2  o 22.55948 5.354993  0.1112595      10.70999 
1 1 1 22  15 3  o 42.12181 4.150450  -9.666420      8.300900 
1 1 1 22  15 4  o 18.36615 4.749504  -6.764347      9.499007 
1 1 1 22  15 5  o 24.10234 4.218070  -17.31257      8.436140 
1 1 1 22  15 6  o 16.30245 6.078126  ?              ?        
1 1 1 22  15 7  o 44.16202 3.675099  ?              ?        
1 1 1 22  15 8  o 22.81692 8.040826  ?              ?        
1 1 1 22  15 9  o 13.19482 6.199717  ?              ?        
1 1 1 22  15 10 o 7.916523 3.785923  ?              ?        
1 1 1 22  15 11 o 21.46010 4.365466  ?              ?        
1 1 1 22  15 12 o 11.13061 4.558028  ?              ?        
1 1 1 22  15 13 o 21.92774 5.665358  ?              ?        
1 1 1 22  16 0  o 34.27277 5.090559  -12.56628      10.18112 
1 1 1 22  16 1  o 19.86144 5.276757  -8.884177      10.55351 
1 1 1 22  16 2  o 22.18658 5.056448  -6.669220      10.11290 
1 1 1 22  16 3  o 28.59297 4.942691  3.381021       9.885382 
1 1 1 22  16 4  o 29.20821 4.675894  -4.800043      9.351789 
1 1 1 22  16 5  o 30.59808 4.442492  -11.54202      8.884983 
1 1 1 22  16 6  o 14.61406 5.783742  ?              ?        
1 1 1 22  16 7  o 20.88005 5.653944  ?              ?        
1 1 1 22  16 8  o 20.80958 5.539437  ?              ?        
1 1 1 22  16 9  f 7.828741 3.744891  ?              ?        
1 1 1 22  16 10 o 37.27290 3.091838  ?              ?        
1 1 1 22  16 11 o 27.56622 5.329805  ?              ?        
1 1 1 22  16 12 o 25.96307 3.565608  ?              ?        
1 1 1 22  17 0  o 16.69473 4.902493  1.872310       9.804986 
1 1 1 22  17 1  o 40.99777 5.126079  -24.81474      10.25216 
1 1 1 22  17 2  o 13.64071 4.179527  -2.373470      8.359055 
1 1 1 22  17 3  o 19.68986 4.698519  -3.325371      9.397038 
1 1 1 22  17 4  o 36.03718 4.298807  -1.736031      8.597614 
1 1 1 22  17 5  o 22.03434 4.927585  -1.394331      9.855169 
1 1 1 22  17 6  o 20.41406 5.809093  ?              ?        
1 1 1 22  17 7  o 22.74178 5.336884  ?              ?        
1 1 1 22  17 8  o 24.51887 5.202145  ?              ?        
1 1 1 22  17 9  o 27.57009 4.511851  ?              ?        
1 1 1 22  17 10 o 40.67087 3.746145  ?              ?        
1 1 1 22  18 0  o 33.18132 4.764581  -2.539955      9.529161 
1 1 1 22  18 1  o 30.94252 5.050971  ?              ?        
1 1 1 22  18 2  o 62.78836 2.900487  -13.65699      5.800973 
1 1 1 22  18 3  o 12.16074 4.079020  -0.5562563     8.158039 
1 1 1 22  18 4  o 16.39680 4.744977  4.544255       9.489953 
1 1 1 22  18 5  o 23.27463 5.429955  ?              ?        
1 1 1 22  18 6  o 29.57866 4.476087  ?              ?        
1 1 1 22  18 7  o 25.42535 5.140014  ?              ?        
1 1 1 22  18 8  o 20.12687 5.633795  ?              ?        
1 1 1 22  18 9  o 30.53002 3.901255  ?              ?        
1 1 1 22  19 0  o 27.98019 4.363368  -9.443148      8.726736 
1 1 1 22  19 1  o 52.48140 3.038013  -1.603020      6.076027 
1 1 1 22  19 2  o 14.31799 4.243863  4.404881       8.487726 
1 1 1 22  19 3  o 18.55166 6.029515  ?              ?        
1 1 1 22  19 4  o 19.95424 4.383562  -5.143915      8.767123 
1 1 1 22  19 5  o 9.303560 4.436082  ?              ?        
1 1 1 22  19 6  o 38.13414 8.220484  ?              ?        
1 1 1 22  19 7  o 16.22967 7.281558  ?              ?        
1 1 1 22  20 0  o 19.70834 4.438805  -8.473557      8.877609 
1 1 1 22  20 1  o 17.64518 4.387239  -6.348303      8.774477 
1 1 1 22  20 2  o 31.56309 4.234797  -12.68748      8.469594 
1 1 1 22  20 3  o 11.08439 3.577486  0.5409050      7.154972 
1 1 1 22  20 4  o 11.64784 5.168586  ?              ?        
1 1 1 22  20 5  f 20.31157 5.864859  ?              ?        
1 1 1 22  21 0  o 18.30931 4.282862  15.50595       8.565723 
1 1 1 22  21 1  o 13.88573 4.203012  -0.4080505     8.406025 
1 1 1 22  21 2  o 15.12246 4.197489  10.30475       8.394979 
1 1 1 23  0  0  o 152.6451 2.973599  -0.000000      0.000000 
1 1 1 23  0  1  o 101.2611 2.799962  -0.000000      0.000000 
1 1 1 23  0  2  o 90.00190 4.349020  -0.000000      0.000000 
1 1 1 23  0  3  o 13.70183 7.705267  -0.000000      0.000000 
1 1 1 23  0  4  o 31.63352 5.623033  -0.000000      0.000000 
1 1 1 23  0  5  o 10.56696 6.749096  -0.000000      0.000000 
1 1 1 23  0  6  o 24.92475 7.399263  -0.000000      0.000000 
1 1 1 23  0  7  o 47.69295 4.902426  -0.000000      0.000000 
1 1 1 23  0  8  o 34.79079 6.220416  -0.000000      0.000000 
1 1 1 23  0  9  o 8.955389 6.038855  -0.000000      0.000000 
1 1 1 23  0  10 o 42.34623 3.527205  -0.000000      0.000000 
1 1 1 23  0  11 x ?        ?         ?              ?        
1 1 1 23  0  12 x ?        ?         ?              ?        
1 1 1 23  0  13 x ?        ?         ?              ?        
1 1 1 23  0  14 x ?        ?         ?              ?        
1 1 1 23  0  15 x ?        ?         ?              ?        
1 1 1 23  0  16 x ?        ?         ?              ?        
1 1 1 23  0  17 x ?        ?         ?              ?        
1 1 1 23  0  18 x ?        ?         ?              ?        
1 1 1 23  1  0  o 43.96789 2.687663  -1.553509      5.375327 
1 1 1 23  1  1  o 33.47665 3.357479  4.316711       6.714959 
1 1 1 23  1  2  o 109.0217 3.028391  1.097794       6.056781 
1 1 1 23  1  3  o 81.57754 2.167436  -1.929703      4.334873 
1 1 1 23  1  4  o 17.96979 4.806689  -1.728392      9.613378 
1 1 1 23  1  5  f 62.10576 2.304347  3.000919       4.608694 
1 1 1 23  1  6  o 53.08255 2.918829  -8.527477      5.837658 
1 1 1 23  1  7  o 63.12918 2.641254  -1.081238      5.282508 
1 1 1 23  1  8  o 28.44786 6.119537  ?              ?        
1 1 1 23  1  9  o 27.36737 4.237901  -0.2572613     8.475802 
1 1 1 23  1  10 o 28.74971 3.083466  -2.270582      6.166931 
1 1 1 23  1  11 o 53.16602 1.713490  ?              ?        
1 1 1 23  1  12 x ?        ?         ?              ?        
1 1 1 23  1  13 x ?        ?         ?              ?        
1 1 1 23  1  14 x ?        ?         ?              ?        
1 1 1 23  1  15 x ?        ?         ?              ?        
1 1 1 23  1  16 x ?        ?         ?              ?        
1 1 1 23  1  17 x ?        ?         ?              ?        
1 1 1 23  1  18 x ?        ?         ?              ?        
1 1 1 23  2  0  o 27.78258 3.943446  -6.111334      7.886891 
1 1 1 23  2  1  o 38.60218 3.097414  -2.495712      6.194829 
1 1 1 23  2  2  o 46.84313 4.652838  -17.83252      9.305676 
1 1 1 23  2  3  o 40.26246 3.193222  5.558506       6.386444 
1 1 1 23  2  4  o 14.77157 4.519176  6.864312       9.038353 
1 1 1 23  2  5  o 64.80361 2.679666  0.3887939      5.359332 
1 1 1 23  2  6  o 21.50911 4.804308  -0.7825451     9.608617 
1 1 1 23  2  7  f 72.87215 4.322760  ?              ?        
1 1 1 23  2  8  o 48.02970 3.058492  ?              ?        
1 1 1 23  2  9  o 26.97491 6.528718  ?              ?        
1 1 1 23  2  10 o 22.24964 4.008814  1.993874       8.017629 
1 1 1 23  2  11 o 27.90513 2.966200  ?              ?        
1 1 1 23  2  12 x ?        ?         ?              ?        
1 1 1 23  2  13 x ?        ?         ?              ?        
1 1 1 23  2  14 x ?        ?         ?              ?        
1 1 1 23  2  15 x ?        ?         ?              ?        
1 1 1 23  2  16 x ?        ?         ?              ?        
1 1 1 23  2  17 x ?        ?         ?              ?        
1 1 1 23  2  18 x ?        ?         ?              ?        
1 1 1 23  3  0  o 19.54160 4.518421  8.475099       9.036842 
1 1 1 23  3  1  o 39.05133 3.180472  -7.494644      6.360943 
1 1 1 23  3  2  o 64.97363 3.793801  -6.476063      7.587602 
1 1 1 23  3  3  o 56.09866 3.040553  -7.289478      6.081106 
1 1 1 23  3  4  o 56.31429 3.093514  -7.545475      6.187028 
1 1 1 23  3  5  o 28.10909 4.382748  -5.032421      8.765496 
1 1 1 23  3  6  f 32.71471 7.167489  ?              ?        
1 1 1 23  3  7  f 39.73635 3.911902  -14.50215      7.823803 
1 1 1 23  3  8  o 71.34187 2.433136  ?              ?        
1 1 1 23  3  9  o 12.68683 3.730970  -2.911160      7.461939 
1 1 1 23  3  10 o 35.93271 2.785558  -0.2986412     5.571116 
1 1 1 23  3  11 o 16.50901 5.459528  ?              ?        
1 1 1 23  3  12 o 23.16357 2.734505  ?              ?        
1 1 1 23  3  13 x ?        ?         ?              ?        
1 1 1 23  3  14 x ?        ?         ?              ?        
1 1 1 23  3  15 x ?        ?         ?              ?        
1 1 1 23  3  16 x ?        ?         ?              ?        
1 1 1 23  3  17 x ?        ?         ?              ?        
1 1 1 23  3  18 x ?        ?         ?              ?        
1 1 1 23  4  0  o 111.4157 2.067888  -3.230316      4.135776 
1 1 1 23  4  1  o 42.22049 3.309189  -8.488632      6.618377 
1 1 1 23  4  2  o 100.2207 1.978296  ?              ?        
1 1 1 23  4  3  o 46.35215 3.281482  8.611584       6.562963 
1 1 1 23  4  4  o 52.19048 5.887740  ?              ?        
1 1 1 23  4  5  o 52.64384 3.062299  -4.800724      6.124598 
1 1 1 23  4  6  o 69.01007 2.635970  -7.800018      5.271940 
1 1 1 23  4  7  o 65.06654 2.602158  -5.562584      5.204316 
1 1 1 23  4  8  o 14.71547 4.235469  3.709000       8.470938 
1 1 1 23  4  9  o 77.89928 2.132533  -5.142891      4.265065 
1 1 1 23  4  10 o 35.71722 2.534875  -4.737286      5.069750 
1 1 1 23  4  11 o 14.00185 4.895730  ?              ?        
1 1 1 23  4  12 o 15.70908 5.188976  ?              ?        
1 1 1 23  4  13 o 30.22706 2.035625  ?              ?        
1 1 1 23  4  14 x ?        ?         ?              ?        
1 1 1 23  4  15 x ?        ?         ?              ?        
1 1 1 23  4  16 x ?        ?         ?              ?        
1 1 1 23  4  17 x ?        ?         ?              ?        
1 1 1 23  4  18 x ?        ?         ?              ?        
1 1 1 23  5  0  o 62.10821 2.564137  -8.629982      5.128274 
1 1 1 23  5  1  o 42.55484 3.522239  8.635170       7.044478 
1 1 1 23  5  2  o 26.38428 4.639706  -2.942728      9.279411 
1 1 1 23  5  3  o 46.85265 2.131104  ?              ?        
1 1 1 23  5  4  o 16.90765 4.365899  -1.377838      8.731798 
1 1 1 23  5  5  o 70.23643 2.967170  -7.227562      5.934339 
1 1 1 23  5  6  o 75.46307 2.461956  -2.632584      4.923911 
1 1 1 23  5  7  o 36.61613 3.361636  3.480125       6.723273 
1 1 1 23  5  8  o 79.79160 4.088869  ?              ?        
1 1 1 23  5  9  o 16.63901 4.564918  ?              ?        
1 1 1 23  5  10 o 15.99562 4.114147  2.225883       8.228294 
1 1 1 23  5  11 o 8.580984 3.786990  ?              ?        
1 1 1 23  5  12 f 10.23696 4.729023  ?              ?        
1 1 1 23  5  13 o 32.72636 3.294984  ?              ?        
1 1 1 23  5  14 o 8.983298 3.619445  ?              ?        
1 1 1 23  5  15 x ?        ?         ?              ?        
1 1 1 23  5  16 x ?        ?         ?              ?        
1 1 1 23  5  17 x ?        ?         ?              ?        
1 1 1 23  5  18 x ?        ?         ?              ?        
1 1 1 23  6  0  o 135.8920 2.743217  7.333557       5.486434 
1 1 1 23  6  1  o 31.97357 4.980682  -7.917685      9.961364 
1 1 1 23  6  2  o 79.39665 2.744964  -1.363411      5.489929 
1 1 1 23  6  3  o 43.64622 2.378497  ?              ?        
1 1 1 23  6  4  o 110.7888 2.654708  -15.76120      5.309416 
1 1 1 23  6  5  o 49.41306 3.568865  -9.682056      7.137730 
1 1 1 23  6  6  o 35.66802 4.163134  -9.879990      8.326268 
1 1 1 23  6  7  o 28.24539 3.980122  1.521797       7.960245 
1 1 1 23  6  8  o 60.27965 2.450187  -0.7854843     4.900373 
1 1 1 23  6  9  o 65.68063 2.197535  -3.050270      4.395070 
1 1 1 23  6  10 x ?        ?         ?              ?        
1 1 1 23  6  11 o 35.47071 2.060486  ?              ?        
1 1 1 23  6  12 o 27.40216 2.403380  ?              ?        
1 1 1 23  6  13 o 9.243246 4.411438  ?              ?        
1 1 1 23  6  14 o 13.76627 4.256629  ?              ?        
1 1 1 23  6  15 x ?        ?         ?              ?        
1 1 1 23  6  16 x ?        ?         ?              ?        
1 1 1 23  6  17 x ?        ?         ?              ?        
1 1 1 23  7  0  o 38.63193 4.840590  -20.25171      9.681179 
1 1 1 23  7  1  o 63.53807 3.042923  -2.682823      6.085846 
1 1 1 23  7  2  o 26.29637 4.603640  -12.16377      9.207280 
1 1 1 23  7  3  o 95.70674 2.831916  1.137695       5.663832 
1 1 1 23  7  4  o 57.82874 2.106233  ?              ?        
1 1 1 23  7  5  o 45.15980 3.726229  -13.94106      7.452458 
1 1 1 23  7  6  o 17.19730 4.711765  -0.6203671     9.423530 
1 1 1 23  7  7  o 39.43231 3.931350  -13.67826      7.862699 
1 1 1 23  7  8  o 49.60765 2.746029  -5.547050      5.492058 
1 1 1 23  7  9  o 95.21999 2.183406  -8.442398      4.366813 
1 1 1 23  7  10 o 51.18750 1.794323  ?              ?        
1 1 1 23  7  11 o 44.69461 1.720330  ?              ?        
1 1 1 23  7  12 o 46.04639 1.896424  ?              ?        
1 1 1 23  7  13 o 22.04787 3.978841  ?              ?        
1 1 1 23  7  14 o 10.71684 4.574303  ?              ?        
1 1 1 23  7  15 x ?        ?         ?              ?        
1 1 1 23  7  16 x ?        ?         ?              ?        
1 1 1 23  7  17 x ?        ?         ?              ?        
1 1 1 23  8  0  o 30.95575 5.433698  7.707069       10.86740 
1 1 1 23  8  1  o 17.27111 4.174621  -9.519202      8.349242 
1 1 1 23  8  2  o 48.35099 3.935360  -1.292549      7.870721 
1 1 1 23  8  3  o 90.87164 2.798365  1.998833       5.596730 
1 1 1 23  8  4  o 66.58549 3.074565  -15.90427      6.149130 
1 1 1 23  8  5  o 30.54418 3.497879  ?              ?        
1 1 1 23  8  6  o 11.20158 3.684019  1.440626       7.368038 
1 1 1 23  8  7  o 49.82391 3.397485  -11.92393      6.794969 
1 1 1 23  8  8  o 39.88477 3.807602  -16.07335      7.615204 
1 1 1 23  8  9  o 65.27223 2.572926  -14.91771      5.145852 
1 1 1 23  8  10 o 27.81090 2.734647  ?              ?        
1 1 1 23  8  11 o 39.14853 2.153061  ?              ?        
1 1 1 23  8  12 o 69.18082 1.777407  ?              ?        
1 1 1 23  8  13 f 12.68554 4.645202  ?              ?        
1 1 1 23  8  14 o 10.12265 4.459420  ?              ?        
1 1 1 23  8  15 x ?        ?         ?              ?        
1 1 1 23  8  16 x ?        ?         ?              ?        
1 1 1 23  8  17 x ?        ?         ?              ?        
1 1 1 23  9  0  o 40.66529 5.308844  -0.9683151     10.61769 
1 1 1 23  9  1  o 19.20962 5.479096  8.732300       10.95819 
1 1 1 23  9  2  o 20.74067 4.781183  -7.015747      9.562366 
1 1 1 23  9  3  o 24.75901 5.303936  8.068516       10.60787 
1 1 1 23  9  4  o 28.29789 4.961211  6.893148       9.922422 
1 1 1 23  9  5  o 17.91595 4.965166  8.708597       9.930331 
1 1 1 23  9  6  o 13.75869 5.386718  ?              ?        
1 1 1 23  9  7  o 29.75316 4.196784  3.057734       8.393568 
1 1 1 23  9  8  o 40.09164 3.662706  1.107845       7.325411 
1 1 1 23  9  9  o 24.27234 4.010175  -8.091757      8.020350 
1 1 1 23  9  10 o 49.52806 2.202083  ?              ?        
1 1 1 23  9  11 x ?        ?         ?              ?        
1 1 1 23  9  12 o 13.96299 4.437021  ?              ?        
1 1 1 23  9  13 o 12.89348 5.476322  ?              ?        
1 1 1 23  9  14 x ?        ?         ?              ?        
1 1 1 23  9  15 x ?        ?         ?              ?        
1 1 1 23  9  16 x ?        ?         ?              ?        
1 1 1 23  10 0  o 20.03895 5.055505  -4.301577      10.11101 
1 1 1 23  10 1  o 24.97422 5.041504  -16.20647      10.08301 
1 1 1 23  10 2  o 38.69196 4.893679  0.1712265      9.787357 
1 1 1 23  10 3  o 32.75317 4.770462  -17.06099      9.540924 
1 1 1 23  10 4  o 36.74537 4.379064  0.5352554      8.758128 
1 1 1 23  10 5  o 27.91982 5.026873  2.825682       10.05375 
1 1 1 23  10 6  o 30.44360 4.472956  -10.80031      8.945912 
1 1 1 23  10 7  o 65.55504 2.639215  ?              ?        
1 1 1 23  10 8  o 41.26914 3.348842  -0.7751846     6.697685 
1 1 1 23  10 9  o 21.89851 6.942139  ?              ?        
1 1 1 23  10 10 o 12.94248 5.051124  ?              ?        
1 1 1 23  10 11 f 34.64267 2.588483  ?              ?        
1 1 1 23  10 12 o 24.35368 3.058513  ?              ?        
1 1 1 23  10 13 o 13.54465 5.425636  ?              ?        
1 1 1 23  10 14 x ?        ?         ?              ?        
1 1 1 23  10 15 x ?        ?         ?              ?        
1 1 1 23  11 0  o 29.39059 5.776309  -4.579372      11.55262 
1 1 1 23  11 1  f 54.59838 3.829894  -5.400734      7.659789 
1 1 1 23  11 2  o 38.37354 5.457870  -0.4981041     10.91574 
1 1 1 23  11 3  o 40.25598 5.004743  -16.61082      10.00949 
1 1 1 23  11 4  o 41.85498 4.651984  -18.77559      9.303967 
1 1 1 23  11 5  o 36.34920 4.001297  12.19860       8.002593 
1 1 1 23  11 6  o 17.43512 4.736278  3.349771       9.472556 
1 1 1 23  11 7  o 18.41821 3.842284  -12.15883      7.684569 
1 1 1 23  11 8  o 52.43400 2.859063  -3.269848      5.718126 
1 1 1 23  11 9  o 9.733795 4.496198  ?              ?        
1 1 1 23  11 10 o 50.15158 2.837429  ?              ?        
1 1 1 23  11 11 o 23.13577 3.786344  ?              ?        
1 1 1 23  11 12 o 8.911654 3.982901  ?              ?        
1 1 1 23  11 13 x ?        ?         ?              ?        
1 1 1 23  11 14 x ?        ?         ?              ?        
1 1 1 23  11 15 x ?        ?         ?              ?        
1 1 1 23  12 0  o 31.57320 5.173393  -11.13378      10.34679 
1 1 1 23  12 1  o 29.99224 5.412508  ?              ?        
1 1 1 23  12 2  o 86.18948 3.068091  -2.486855      6.136181 
1 1 1 23  12 3  o 94.04709 3.368050  6.467003       6.736100 
1 1 1 23  12 4  o 51.49074 3.525414  -4.920452      7.050828 
1 1 1 23  12 5  o 59.73306 3.148432  -11.25165      6.296864 
1 1 1 23  12 6  o 35.76919 4.484566  -8.365683      8.969132 
1 1 1 23  12 7  o 50.36601 3.098820  -2.743443      6.197641 
1 1 1 23  12 8  o 22.49450 5.457343  ?              ?        
1 1 1 23  12 9  o 45.42478 3.175825  ?              ?        
1 1 1 23  12 10 o 20.19699 5.249061  ?              ?        
1 1 1 23  12 11 o 31.26190 3.058830  ?              ?        
1 1 1 23  12 12 o 34.91781 3.546283  ?              ?        
1 1 1 23  12 13 o 37.52124 3.325400  ?              ?        
1 1 1 23  12 14 x ?        ?         ?              ?        
1 1 1 23  13 0  o 22.92609 5.083670  -5.816952      10.16734 
1 1 1 23  13 1  o 68.54179 3.287742  -5.386276      6.575483 
1 1 1 23  13 2  o 26.13590 4.689297  -15.40297      9.378593 
1 1 1 23  13 3  o 58.42311 3.487518  -9.220814      6.975037 
1 1 1 23  13 4  o 91.76651 2.822517  -7.147469      5.645035 
1 1 1 23  13 5  o 33.85777 5.147743  -12.28408      10.29549 
1 1 1 23  13 6  f 17.02951 4.635276  0.5554066      9.270553 
1 1 1 23  13 7  o 14.76847 4.340480  1.907540       8.680960 
1 1 1 23  13 8  o 53.81557 4.015335  ?              ?        
1 1 1 23  13 9  o 44.12453 3.958181  ?              ?        
1 1 1 23  13 10 o 23.28321 4.245264  ?              ?        
1 1 1 23  13 11 o 24.27077 3.648396  ?              ?        
1 1 1 23  13 12 o 43.73024 5.596624  ?              ?        
1 1 1 23  13 13 o 13.17566 6.022540  ?              ?        
1 1 1 23  14 0  o 39.84592 4.379993  -3.264618      8.759986 
1 1 1 23  14 1  o 19.68835 5.141009  3.115610       10.28202 
1 1 1 23  14 2  o 41.05767 4.251297  -12.37630      8.502593 
1 1 1 23  14 3  o 63.13873 3.463667  -21.15776      6.927335 
1 1 1 23  14 4  f 43.34369 3.865304  ?              ?        
1 1 1 23  14 5  o 15.15904 4.386927  -2.229284      8.773854 
1 1 1 23  14 6  o 11.80695 3.853791  4.289037       7.707583 
1 1 1 23  14 7  o 23.01482 4.475090  -21.83012      8.950180 
1 1 1 23  14 8  o 21.98681 5.539157  ?              ?        
1 1 1 23  14 9  o 19.87651 5.687212  ?              ?        
1 1 1 23  14 10 o 9.336466 4.231339  ?              ?        
1 1 1 23  14 11 o 11.94429 4.761481  ?              ?        
1 1 1 23  14 12 o 15.20094 6.085365  ?              ?        
1 1 1 23  15 0  o 19.20284 4.882245  -4.283018      9.764490 
1 1 1 23  15 1  o 18.11127 4.778870  -5.877828      9.557740 
1 1 1 23  15 2  o 56.89891 5.470737  ?              ?        
1 1 1 23  15 3  o 15.79737 4.554859  -0.9941654     9.109717 
1 1 1 23  15 4  o 31.41788 4.572685  -5.850412      9.145370 
1 1 1 23  15 5  o 11.86975 3.889718  4.616807       7.779437 
1 1 1 23  15 6  o 31.72385 4.263258  ?              ?        
1 1 1 23  15 7  o 26.30364 5.208365  ?              ?        
1 1 1 23  15 8  o 10.85544 4.860478  ?              ?        
1 1 1 23  15 9  o 14.89604 6.706901  ?              ?        
1 1 1 23  15 10 o 12.29110 4.873131  ?              ?        
1 1 1 23  15 11 o 7.781485 3.713152  ?              ?        
1 1 1 23  16 0  o 18.09023 5.221998  -3.006510      10.44400 
1 1 1 23  16 1  o 32.29393 4.530571  -19.72928      9.061142 
1 1 1 23  16 2  o 23.96342 5.392636  1.039846       10.78527 
1 1 1 23  16 3  o 16.94132 4.307561  -8.286337      8.615123 
1 1 1 23  16 4  o 15.25467 4.262553  2.099931       8.525105 
1 1 1 23  16 5  o 19.61253 4.702017  1.249023       9.404034 
1 1 1 23  16 6  o 22.08268 4.404271  4.700897       8.808542 
1 1 1 23  16 7  o 13.46705 5.492127  ?              ?        
1 1 1 23  16 8  o 29.94563 4.306848  ?              ?        
1 1 1 23  16 9  o 8.551354 4.008310  ?              ?        
1 1 1 23  16 10 o 17.56156 4.924962  ?              ?        
1 1 1 23  17 0  o 13.82093 4.321275  2.692936       8.642550 
1 1 1 23  17 1  o 11.75037 3.825899  2.765361       7.651798 
1 1 1 23  17 2  o 36.43832 4.587573  -18.25886      9.175145 
1 1 1 23  17 3  o 20.54881 4.488899  -3.264057      8.977798 
1 1 1 23  17 4  o 23.29448 4.413167  -2.878300      8.826334 
1 1 1 23  17 5  f 12.86276 4.022707  3.658611       8.045413 
1 1 1 23  17 6  o 38.72109 4.547340  ?              ?        
1 1 1 23  17 7  o 14.89104 5.663530  ?              ?        
1 1 1 23  17 8  o 20.18199 5.555621  ?              ?        
1 1 1 23  18 0  o 17.71745 4.206188  -9.558559      8.412376 
1 1 1 23  18 1  o 13.73544 5.713559  ?              ?        
1 1 1 23  18 2  o 11.95431 3.811492  -0.3407345     7.622984 
1 1 1 23  18 3  f 31.38258 3.834041  -2.831875      7.668083 
1 1 1 23  18 4  o 18.83800 5.124975  -11.37430      10.24995 
1 1 1 23  18 5  o 21.89329 4.036171  -12.16653      8.072343 
1 1 1 23  18 6  o 15.36696 5.781272  ?              ?        
1 1 1 23  18 7  o 11.42166 5.023759  ?              ?        
1 1 1 23  19 0  o 17.69712 4.482688  2.705070       8.965376 
1 1 1 23  19 1  f 16.47547 4.323195  10.69896       8.646391 
1 1 1 23  19 2  o 15.19823 4.247092  -2.468426      8.494184 
1 1 1 23  19 3  o 14.30434 4.124032  -2.733844      8.248064 
1 1 1 23  19 4  o 13.27718 5.520056  ?              ?        
1 1 1 23  19 5  o 23.07417 5.897034  ?              ?        
1 1 1 23  20 0  o 11.33095 3.732847  1.324940       7.465693 
1 1 1 23  20 1  o 22.35752 4.036094  -14.15534      8.072187 
1 1 1 23  20 2  o 14.07632 4.063223  -3.800459      8.126446 
1 1 1 24  0  0  o 104.6545 2.965376  -0.000000      0.000000 
1 1 1 24  0  1  o 29.06423 6.989872  -0.000000      0.000000 
1 1 1 24  0  2  o 18.39296 8.389303  -0.000000      0.000000 
1 1 1 24  0  3  o 87.44882 3.105676  -0.000000      0.000000 
1 1 1 24  0  4  f 73.29266 4.183146  -0.000000      0.000000 
1 1 1 24  0  5  o 12.23085 7.154953  -0.000000      0.000000 
1 1 1 24  0  6  o 29.62294 5.756546  -0.000000      0.000000 
1 1 1 24  0  7  o 18.81083 8.803164  -0.000000      0.000000 
1 1 1 24  0  8  o 6.178288 4.524589  -0.000000      0.000000 
1 1 1 24  0  9  o 24.17060 6.450999  -0.000000      0.000000 
1 1 1 24  0  10 o 7.648883 5.121772  -0.000000      0.000000 
1 1 1 24  0  11 x ?        ?         ?              ?        
1 1 1 24  0  12 x ?        ?         ?              ?        
1 1 1 24  0  13 x ?        ?         ?              ?        
1 1 1 24  0  14 x ?        ?         ?              ?        
1 1 1 24  0  15 x ?        ?         ?              ?        
1 1 1 24  0  16 x ?        ?         ?              ?        
1 1 1 24  0  17 x ?        ?         ?              ?        
1 1 1 24  1  0  o 79.38808 2.197003  1.933189       4.394007 
1 1 1 24  1  1  o 32.83691 3.885552  -5.510408      7.771105 
1 1 1 24  1  2  o 84.00123 2.261888  -7.095230      4.523776 
1 1 1 24  1  3  o 64.07102 3.165805  -0.1633911     6.331611 
1 1 1 24  1  4  f 60.75046 2.830816  -4.702961      5.661633 
1 1 1 24  1  5  o 49.35223 2.652559  -9.544693      5.305118 
1 1 1 24  1  6  o 49.95460 2.920949  4.821537       5.841899 
1 1 1 24  1  7  o 33.73842 3.743326  -2.460102      7.486652 
1 1 1 24  1  8  o 30.59290 4.091188  -20.89985      8.182377 
1 1 1 24  1  9  o 56.46678 3.580987  ?              ?        
1 1 1 24  1  10 o 16.53526 3.923071  0.6112747      7.846142 
1 1 1 24  1  11 o 13.15570 4.734011  ?              ?        
1 1 1 24  1  12 x ?        ?         ?              ?        
1 1 1 24  1  13 x ?        ?         ?              ?        
1 1 1 24  1  14 x ?        ?         ?              ?        
1 1 1 24  1  15 x ?        ?         ?              ?        
1 1 1 24  1  16 x ?        ?         ?              ?        
1 1 1 24  1  17 x ?        ?         ?              ?        
1 1 1 24  2  0  o 26.45485 4.460963  4.152096       8.921926 
1 1 1 24  2  1  f 79.13997 2.274221  -0.8750534     4.548441 
1 1 1 24  2  2  o 31.93317 4.268677  -5.738897      8.537354 
1 1 1 24  2  3  o 25.67883 5.283529  -6.902611      10.56706 
1 1 1 24  2  4  o 33.66001 4.438978  -22.38694      8.877955 
1 1 1 24  2  5  o 21.68920 4.680237  -1.156399      9.360474 
1 1 1 24  2  6  f 37.89791 3.444857  2.574799       6.889714 
1 1 1 24  2  7  o 51.67665 2.803203  -2.969780      5.606405 
1 1 1 24  2  8  f 50.98829 2.617972  -1.404964      5.235943 
1 1 1 24  2  9  o 11.72292 3.748927  5.564616       7.497854 
1 1 1 24  2  10 o 39.98586 2.411651  -11.59398      4.823301 
1 1 1 24  2  11 o 27.93617 3.641082  ?              ?        
1 1 1 24  2  12 x ?        ?         ?              ?        
1 1 1 24  2  13 x ?        ?         ?              ?        
1 1 1 24  2  14 x ?        ?         ?              ?        
1 1 1 24  2  15 x ?        ?         ?              ?        
1 1 1 24  2  16 x ?        ?         ?              ?        
1 1 1 24  2  17 x ?        ?         ?              ?        
1 1 1 24  3  0  o 34.40483 3.994765  -3.075825      7.989531 
1 1 1 24  3  1  o 44.02190 3.041255  6.239788       6.082511 
1 1 1 24  3  2  o 46.29766 3.063022  1.700909       6.126045 
1 1 1 24  3  3  o 33.31697 3.720357  13.68400       7.440715 
1 1 1 24  3  4  f 16.87674 7.333747  ?              ?        
1 1 1 24  3  5  o 37.53955 3.461364  9.969982       6.922728 
1 1 1 24  3  6  f 24.26401 4.399957  -5.895706      8.799913 
1 1 1 24  3  7  o 47.71027 2.885895  7.884274       5.771790 
1 1 1 24  3  8  o 40.98500 3.313118  -9.613110      6.626235 
1 1 1 24  3  9  o 36.43330 3.109171  -13.97346      6.218343 
1 1 1 24  3  10 o 57.98732 2.897137  ?              ?        
1 1 1 24  3  11 o 52.86308 2.858390  ?              ?        
1 1 1 24  3  12 o 27.34709 2.259170  ?              ?        
1 1 1 24  3  13 x ?        ?         ?              ?        
1 1 1 24  3  14 x ?        ?         ?              ?        
1 1 1 24  3  15 x ?        ?         ?              ?        
1 1 1 24  3  16 x ?        ?         ?              ?        
1 1 1 24  3  17 x ?        ?         ?              ?        
1 1 1 24  4  0  o 71.71927 2.407629  -1.768303      4.815259 
1 1 1 24  4  1  o 60.05542 2.775326  -7.088333      5.550652 
1 1 1 24  4  2  o 18.94377 4.869189  2.088381       9.738378 
1 1 1 24  4  3  o 15.08060 5.277647  ?              ?        
1 1 1 24  4  4  o 52.34586 3.010015  -1.831528      6.020030 
1 1 1 24  4  5  o 27.31741 4.193448  -11.92323      8.386895 
1 1 1 24  4  6  o 31.83154 3.565767  11.85943       7.131535 
1 1 1 24  4  7  o 26.62006 4.177745  9.450455       8.355491 
1 1 1 24  4  8  o 57.48997 2.434017  -9.092709      4.868034 
1 1 1 24  4  9  o 38.00144 2.502539  -6.231346      5.005079 
1 1 1 24  4  10 o 31.05540 2.552073  7.425486       5.104147 
1 1 1 24  4  11 x ?        ?         ?              ?        
1 1 1 24  4  12 o 10.63350 4.601252  ?              ?        
1 1 1 24  4  13 x ?        ?         ?              ?        
1 1 1 24  4  14 x ?        ?         ?              ?        
1 1 1 24  4  15 x ?        ?         ?              ?        
1 1 1 24  4  16 x ?        ?         ?              ?        
1 1 1 24  4  17 x ?        ?         ?              ?        
1 1 1 24  5  0  o 148.5663 2.279589  -8.897598      4.559179 
1 1 1 24  5  1  o 38.76720 3.890215  18.26572       7.780431 
1 1 1 24  5  2  o 61.37213 3.138662  4.859699       6.277324 
1 1 1 24  5  3  o 36.07043 4.575145  -14.90886      9.150290 
1 1 1 24  5  4  o 41.12795 3.491578  3.076118       6.983155 
1 1 1 24  5  5  o 50.74391 5.568963  ?              ?        
1 1 1 24  5  6  o 43.93575 3.147258  5.150425       6.294516 
1 1 1 24  5  7  o 21.04317 7.415201  ?              ?        
1 1 1 24  5  8  f 40.77556 5.236952  ?              ?        
1 1 1 24  5  9  x ?        ?         ?              ?        
1 1 1 24  5  10 o 47.39000 2.418766  -10.52316      4.837533 
1 1 1 24  5  11 x ?        ?         ?              ?        
1 1 1 24  5  12 o 15.30999 5.354757  ?              ?        
1 1 1 24  5  13 x ?        ?         ?              ?        
1 1 1 24  5  14 x ?        ?         ?              ?        
1 1 1 24  5  15 x ?        ?         ?              ?        
1 1 1 24  5  16 x ?        ?         ?              ?        
1 1 1 24  6  0  o 71.28673 3.035881  4.650841       6.071761 
1 1 1 24  6  1  o 87.57501 2.931327  8.656349       5.862654 
1 1 1 24  6  2  o 26.50544 4.761053  -3.775452      9.522105 
1 1 1 24  6  3  o 29.77873 4.572105  -8.414051      9.144211 
1 1 1 24  6  4  o 58.75951 2.020522  ?              ?        
1 1 1 24  6  5  o 29.60217 4.228191  7.380051       8.456383 
1 1 1 24  6  6  o 39.18152 3.030500  3.679234       6.061000 
1 1 1 24  6  7  o 32.86115 3.644608  -0.5913277     7.289216 
1 1 1 24  6  8  o 30.85719 6.350416  ?              ?        
1 1 1 24  6  9  o 39.96367 4.374218  ?              ?        
1 1 1 24  6  10 o 16.16141 4.604164  ?              ?        
1 1 1 24  6  11 x ?        ?         ?              ?        
1 1 1 24  6  12 x ?        ?         ?              ?        
1 1 1 24  6  13 x ?        ?         ?              ?        
1 1 1 24  6  14 x ?        ?         ?              ?        
1 1 1 24  6  15 x ?        ?         ?              ?        
1 1 1 24  6  16 x ?        ?         ?              ?        
1 1 1 24  7  0  o 52.59818 4.220335  -15.19236      8.440671 
1 1 1 24  7  1  o 38.17942 4.277862  10.47202       8.555723 
1 1 1 24  7  2  o 61.20101 5.913329  ?              ?        
1 1 1 24  7  3  o 43.00124 4.340528  -14.05079      8.681057 
1 1 1 24  7  4  f 22.71217 3.563129  -18.27424      7.126257 
1 1 1 24  7  5  o 35.66718 4.097082  -9.272953      8.194164 
1 1 1 24  7  6  o 27.20864 4.124834  21.31412       8.249667 
1 1 1 24  7  7  o 50.81774 2.720832  -7.974602      5.441664 
1 1 1 24  7  8  o 60.02087 2.448123  -11.86828      4.896247 
1 1 1 24  7  9  o 17.00175 3.562416  -6.318336      7.124832 
1 1 1 24  7  10 o 22.97758 3.181917  ?              ?        
1 1 1 24  7  11 o 24.75624 2.653133  ?              ?        
1 1 1 24  7  12 x ?        ?         ?              ?        
1 1 1 24  7  13 x ?        ?         ?              ?        
1 1 1 24  7  14 x ?        ?         ?              ?        
1 1 1 24  7  15 x ?        ?         ?              ?        
1 1 1 24  7  16 x ?        ?         ?              ?        
1 1 1 24  8  0  o 61.46165 3.598371  -1.544987      7.196742 
1 1 1 24  8  1  o 32.83727 4.923743  -3.844162      9.847486 
1 1 1 24  8  2  o 53.11597 3.447420  2.502991       6.894841 
1 1 1 24  8  3  f 34.67300 4.712522  -6.212759      9.425044 
1 1 1 24  8  4  o 22.46119 4.823796  8.605337       9.647593 
1 1 1 24  8  5  o 23.54164 3.972071  -12.37232      7.944141 
1 1 1 24  8  6  o 28.53546 4.098197  -11.33732      8.196393 
1 1 1 24  8  7  o 18.80337 4.770198  5.386860       9.540396 
1 1 1 24  8  8  o 10.87411 3.537771  3.668380       7.075541 
1 1 1 24  8  9  o 17.11915 3.855918  -7.607057      7.711835 
1 1 1 24  8  10 o 17.76524 4.369332  ?              ?        
1 1 1 24  8  11 o 46.27942 2.111065  ?              ?        
1 1 1 24  8  12 o 11.74546 4.594271  ?              ?        
1 1 1 24  8  13 x ?        ?         ?              ?        
1 1 1 24  8  14 x ?        ?         ?              ?        
1 1 1 24  8  15 x ?        ?         ?              ?        
1 1 1 24  9  0  o 25.24078 5.049173  -13.46906      10.09835 
1 1 1 24  9  1  o 19.30094 5.101465  -5.776354      10.20293 
1 1 1 24  9  2  o 56.74856 3.526178  -6.969078      7.052356 
1 1 1 24  9  3  o 23.25413 5.054543  6.167631       10.10909 
1 1 1 24  9  4  o 28.13562 4.576022  -6.699062      9.152043 
1 1 1 24  9  5  o 25.42469 4.381142  -5.244513      8.762284 
1 1 1 24  9  6  o 19.20891 4.492337  4.607252       8.984674 
1 1 1 24  9  7  o 45.57627 2.864781  -1.230247      5.729562 
1 1 1 24  9  8  o 59.05534 2.796830  -0.8516312E-01 5.593660 
1 1 1 24  9  9  o 28.07525 3.527365  -16.97920      7.054731 
1 1 1 24  9  10 x ?        ?         ?              ?        
1 1 1 24  9  11 o 17.21837 5.073487  ?              ?        
1 1 1 24  9  12 o 15.76369 5.021172  ?              ?        
1 1 1 24  9  13 x ?        ?         ?              ?        
1 1 1 24  9  14 x ?        ?         ?              ?        
1 1 1 24  10 0  o 16.59377 5.212577  7.379617       10.42515 
1 1 1 24  10 1  o 33.73198 5.254657  -16.41224      10.50931 
1 1 1 24  10 2  o 24.19837 5.367661  -9.233307      10.73532 
1 1 1 24  10 3  o 17.10633 4.569898  -4.803444      9.139795 
1 1 1 24  10 4  o 20.04095 4.728183  -2.316061      9.456366 
1 1 1 24  10 5  o 20.15234 4.635744  12.37670       9.271487 
1 1 1 24  10 6  o 33.52448 3.496920  5.275745       6.993840 
1 1 1 24  10 7  o 24.54482 4.109669  -10.01612      8.219337 
1 1 1 24  10 8  o 37.23386 3.325850  -8.452702      6.651701 
1 1 1 24  10 9  o 21.34821 6.769658  ?              ?        
1 1 1 24  10 10 o 35.98710 3.055884  ?              ?        
1 1 1 24  10 11 o 16.11229 4.601328  ?              ?        
1 1 1 24  10 12 o 12.13292 4.889338  ?              ?        
1 1 1 24  10 13 x ?        ?         ?              ?        
1 1 1 24  10 14 x ?        ?         ?              ?        
1 1 1 24  11 0  o 36.12145 4.206042  ?              ?        
1 1 1 24  11 1  o 22.49690 5.287190  7.537634       10.57438 
1 1 1 24  11 2  o 54.41632 4.059668  -27.67196      8.119335 
1 1 1 24  11 3  o 50.26299 3.577689  -8.809929      7.155379 
1 1 1 24  11 4  o 23.14663 5.251051  5.315798       10.50210 
1 1 1 24  11 5  o 45.86749 3.361526  -7.781422      6.723053 
1 1 1 24  11 6  o 24.24791 4.433103  8.819666       8.866206 
1 1 1 24  11 7  o 28.57078 3.883347  -13.47034      7.766695 
1 1 1 24  11 8  o 18.29804 4.075582  -7.997192      8.151163 
1 1 1 24  11 9  o 62.71085 2.752544  ?              ?        
1 1 1 24  11 10 o 39.75201 3.227216  ?              ?        
1 1 1 24  11 11 f 15.83627 5.447218  ?              ?        
1 1 1 24  11 12 o 22.68717 4.492126  ?              ?        
1 1 1 24  11 13 x ?        ?         ?              ?        
1 1 1 24  12 0  o 20.58864 5.192275  10.44131       10.38455 
1 1 1 24  12 1  o 57.17846 3.583906  -13.56103      7.167813 
1 1 1 24  12 2  o 69.30297 2.962323  ?              ?        
1 1 1 24  12 3  o 50.00299 3.224265  -0.7095947     6.448531 
1 1 1 24  12 4  o 51.59995 3.710423  -12.09259      7.420845 
1 1 1 24  12 5  o 12.85483 3.843089  -4.864839      7.686178 
1 1 1 24  12 6  o 17.79671 4.738540  1.440857       9.477079 
1 1 1 24  12 7  o 14.96984 4.482222  -1.057397      8.964444 
1 1 1 24  12 8  f 19.23964 4.387705  1.104212       8.775411 
1 1 1 24  12 9  o 64.28761 2.880717  ?              ?        
1 1 1 24  12 10 o 35.41904 3.651651  ?              ?        
1 1 1 24  12 11 o 8.380638 4.047292  ?              ?        
1 1 1 24  12 12 o 14.34440 5.399924  ?              ?        
1 1 1 24  13 0  o 23.49916 5.157990  16.34871       10.31598 
1 1 1 24  13 1  o 25.12109 4.771417  -7.328264      9.542834 
1 1 1 24  13 2  o 49.36821 3.430555  -3.337055      6.861110 
1 1 1 24  13 3  o 65.95013 3.112866  ?              ?        
1 1 1 24  13 4  o 25.49312 4.578494  -7.685104      9.156988 
1 1 1 24  13 5  o 31.67786 5.076471  -1.879328      10.15294 
1 1 1 24  13 6  o 37.93850 3.509499  -13.10752      7.018998 
1 1 1 24  13 7  o 26.49828 4.004773  0.4676380      8.009546 
1 1 1 24  13 8  o 36.44169 3.746459  ?              ?        
1 1 1 24  13 9  o 21.57711 6.503085  ?              ?        
1 1 1 24  13 10 o 30.71829 3.322448  ?              ?        
1 1 1 24  13 11 o 10.88290 4.783495  ?              ?        
1 1 1 24  14 0  o 16.30503 6.887893  ?              ?        
1 1 1 24  14 1  o 11.52333 3.820244  -0.8480673     7.640487 
1 1 1 24  14 2  o 49.31517 3.431201  -3.136681      6.862401 
1 1 1 24  14 3  o 14.32031 6.497484  ?              ?        
1 1 1 24  14 4  o 14.51404 4.306640  1.337752       8.613280 
1 1 1 24  14 5  o 18.16677 5.779702  ?              ?        
1 1 1 24  14 6  o 21.69476 4.266857  -7.378729      8.533713 
1 1 1 24  14 7  o 39.58393 4.162355  6.245735       8.324710 
1 1 1 24  14 8  o 15.64561 5.685829  ?              ?        
1 1 1 24  14 9  o 26.84844 4.859665  ?              ?        
1 1 1 24  14 10 o 17.58675 5.776114  ?              ?        
1 1 1 24  15 0  o 23.31760 5.539188  -0.2477303     11.07838 
1 1 1 24  15 1  f 31.32371 5.261586  -7.739346      10.52317 
1 1 1 24  15 2  o 15.70136 4.503739  0.6229620      9.007478 
1 1 1 24  15 3  o 17.40677 4.260702  -6.577298      8.521403 
1 1 1 24  15 4  o 13.48545 3.946834  7.797219       7.893669 
1 1 1 24  15 5  o 15.09158 4.171965  -3.279980      8.343929 
1 1 1 24  15 6  o 16.01011 4.251922  6.433069       8.503844 
1 1 1 24  15 7  o 19.30626 5.923535  ?              ?        
1 1 1 24  15 8  o 35.48285 3.944210  ?              ?        
1 1 1 24  15 9  o 12.01132 5.777419  ?              ?        
1 1 1 24  16 0  o 21.83221 4.800667  1.318352       9.601334 
1 1 1 24  16 1  o 21.91164 4.506513  -5.138861      9.013025 
1 1 1 24  16 2  f 33.10058 3.904473  -13.50522      7.808946 
1 1 1 24  16 3  o 13.15507 4.072554  -1.206716      8.145108 
1 1 1 24  16 4  o 39.15352 3.533588  6.124313       7.067176 
1 1 1 24  16 5  o 17.69428 4.447254  0.8084526      8.894507 
1 1 1 24  16 6  o 11.21159 3.611652  3.681981       7.223304 
1 1 1 24  16 7  o 39.70943 3.549849  ?              ?        
1 1 1 24  16 8  o 11.78533 5.175009  ?              ?        
1 1 1 24  17 0  o 12.71069 5.448868  ?              ?        
1 1 1 24  17 1  o 16.99518 3.744226  -13.01405      7.488452 
1 1 1 24  17 2  f 13.54011 4.100245  2.268212       8.200489 
1 1 1 24  17 3  o 28.55187 5.402903  -2.002125      10.80581 
1 1 1 24  17 4  o 12.43331 3.879652  1.524537       7.759305 
1 1 1 24  17 5  o 24.35156 4.289072  -3.894587      8.578144 
1 1 1 24  17 6  o 25.05383 5.441250  ?              ?        
1 1 1 24  18 0  o 32.36687 4.068315  -9.797626      8.136629 
1 1 1 24  18 1  o 17.89807 4.474699  8.272298       8.949399 
1 1 1 24  18 2  o 18.59851 6.064340  ?              ?        
1 1 1 24  18 3  o 12.57541 3.844002  -2.108263      7.688004 
1 1 1 24  18 4  o 17.85582 4.406907  -0.7698193     8.813814 
1 1 1 24  19 0  o 15.90353 4.461389  7.420718       8.922777 
1 1 1 24  19 1  o 13.98572 3.991448  -5.751540      7.982897 
1 1 1 24  19 2  o 12.85208 3.964734  -1.824570      7.929468 
1 1 1 25  0  0  o 48.06305 4.196874  -0.000000      0.000000 
1 1 1 25  0  1  o 19.56871 8.685827  -0.000000      0.000000 
1 1 1 25  0  2  o 93.79229 3.132192  -0.000000      0.000000 
1 1 1 25  0  3  o 77.30630 5.002866  -0.000000      0.000000 
1 1 1 25  0  4  o 7.533869 5.284657  -0.000000      0.000000 
1 1 1 25  0  5  o 15.36759 8.551713  -0.000000      0.000000 
1 1 1 25  0  6  o 6.914517 4.919768  -0.000000      0.000000 
1 1 1 25  0  7  o 8.446313 5.870579  -0.000000      0.000000 
1 1 1 25  0  8  o 9.973830 6.422451  -0.000000      0.000000 
1 1 1 25  0  9  x ?        ?         ?              ?        
1 1 1 25  0  10 o 24.83835 4.307823  -0.000000      0.000000 
1 1 1 25  0  11 x ?        ?         ?              ?        
1 1 1 25  0  12 x ?        ?         ?              ?        
1 1 1 25  0  13 x ?        ?         ?              ?        
1 1 1 25  0  14 x ?        ?         ?              ?        
1 1 1 25  0  15 x ?        ?         ?              ?        
1 1 1 25  1  0  o 43.45306 3.197979  0.3035393      6.395958 
1 1 1 25  1  1  o 71.32605 2.388878  0.7570648      4.777756 
1 1 1 25  1  2  o 46.42236 2.962805  -0.5431404     5.925610 
1 1 1 25  1  3  o 49.27703 3.815185  4.611023       7.630370 
1 1 1 25  1  4  o 44.14644 2.997982  -2.376301      5.995963 
1 1 1 25  1  5  o 13.59873 4.217568  7.559145       8.435136 
1 1 1 25  1  6  o 34.07866 3.960278  -3.205658      7.920557 
1 1 1 25  1  7  o 29.72847 3.957226  -0.1693630     7.914452 
1 1 1 25  1  8  o 15.50432 4.199062  3.788130       8.398124 
1 1 1 25  1  9  o 40.94506 3.783617  ?              ?        
1 1 1 25  1  10 o 32.46570 2.403926  -6.651575      4.807852 
1 1 1 25  1  11 o 34.15437 2.407472  ?              ?        
1 1 1 25  1  12 x ?        ?         ?              ?        
1 1 1 25  1  13 x ?        ?         ?              ?        
1 1 1 25  1  14 x ?        ?         ?              ?        
1 1 1 25  1  15 x ?        ?         ?              ?        
1 1 1 25  2  0  o 31.41930 4.273007  -8.621170      8.546015 
1 1 1 25  2  1  o 41.50199 3.448097  -5.613220      6.896194 
1 1 1 25  2  2  o 27.06805 4.008697  -21.55470      8.017394 
1 1 1 25  2  3  o 34.00214 5.287677  11.30743       10.57535 
1 1 1 25  2  4  o 36.81745 4.047330  -2.277809      8.094661 
1 1 1 25  2  5  o 36.71916 3.745203  -0.4601746     7.490406 
1 1 1 25  2  6  o 11.80096 3.717441  -2.962278      7.434883 
1 1 1 25  2  7  o 23.31564 3.712698  21.72527       7.425396 
1 1 1 25  2  8  o 22.16287 3.938296  -4.179552      7.876593 
1 1 1 25  2  9  o 19.41705 4.163717  -5.105007      8.327435 
1 1 1 25  2  10 o 15.20007 3.658410  -5.259014      7.316819 
1 1 1 25  2  11 o 12.81240 4.927611  ?              ?        
1 1 1 25  2  12 x ?        ?         ?              ?        
1 1 1 25  2  13 x ?        ?         ?              ?        
1 1 1 25  2  14 x ?        ?         ?              ?        
1 1 1 25  2  15 x ?        ?         ?              ?        
1 1 1 25  3  0  o 59.32096 2.729922  -11.28595      5.459843 
1 1 1 25  3  1  o 69.87289 2.414213  -0.7507324     4.828426 
1 1 1 25  3  2  o 23.77743 4.604076  -5.861061      9.208153 
1 1 1 25  3  3  o 39.10206 4.415030  -13.63745      8.830059 
1 1 1 25  3  4  o 45.67076 3.531417  -1.209827      7.062834 
1 1 1 25  3  5  o 33.18482 4.065439  0.2284050      8.130877 
1 1 1 25  3  6  o 18.48569 4.237293  -4.579391      8.474586 
1 1 1 25  3  7  o 27.63658 4.023478  3.767622       8.046956 
1 1 1 25  3  8  o 22.47852 4.059678  5.957497       8.119355 
1 1 1 25  3  9  o 27.88025 3.067260  -6.507936      6.134521 
1 1 1 25  3  10 o 24.85906 3.276991  -7.257040      6.553983 
1 1 1 25  3  11 o 22.13340 4.404540  ?              ?        
1 1 1 25  3  12 x ?        ?         ?              ?        
1 1 1 25  3  13 x ?        ?         ?              ?        
1 1 1 25  3  14 x ?        ?         ?              ?        
1 1 1 25  3  15 x ?        ?         ?              ?        
1 1 1 25  4  0  o 71.03822 2.511662  -11.96151      5.023325 
1 1 1 25  4  1  f 56.62122 2.755311  -0.6975365     5.510623 
1 1 1 25  4  2  o 47.93257 3.416864  -1.423260      6.833728 
1 1 1 25  4  3  o 51.04707 3.392191  -4.181034      6.784382 
1 1 1 25  4  4  o 22.32214 4.645488  7.220303       9.290976 
1 1 1 25  4  5  o 17.58281 7.086112  ?              ?        
1 1 1 25  4  6  o 23.44218 4.125175  -8.581268      8.250351 
1 1 1 25  4  7  o 48.83512 2.657279  -1.558575      5.314558 
1 1 1 25  4  8  o 32.51485 3.231712  -3.980286      6.463424 
1 1 1 25  4  9  x ?        ?         ?              ?        
1 1 1 25  4  10 o 36.73995 3.338827  ?              ?        
1 1 1 25  4  11 x ?        ?         ?              ?        
1 1 1 25  4  12 x ?        ?         ?              ?        
1 1 1 25  4  13 x ?        ?         ?              ?        
1 1 1 25  4  14 x ?        ?         ?              ?        
1 1 1 25  4  15 x ?        ?         ?              ?        
1 1 1 25  5  0  o 47.72406 3.099539  -3.980633      6.199078 
1 1 1 25  5  1  f 48.99977 4.467575  -16.60652      8.935150 
1 1 1 25  5  2  o 60.06438 3.254617  -11.81520      6.509235 
1 1 1 25  5  3  o 21.69326 4.422179  -5.480547      8.844358 
1 1 1 25  5  4  o 72.48270 2.124956  ?              ?        
1 1 1 25  5  5  o 65.40414 2.714089  -5.229095      5.428177 
1 1 1 25  5  6  o 29.77331 4.118878  7.843660       8.237756 
1 1 1 25  5  7  o 22.55194 3.614530  -14.30284      7.229060 
1 1 1 25  5  8  o 25.37664 6.268023  ?              ?        
1 1 1 25  5  9  f 38.90816 3.996223  ?              ?        
1 1 1 25  5  10 o 13.61256 3.506978  -0.2492847     7.013956 
1 1 1 25  5  11 o 16.35674 6.010553  ?              ?        
1 1 1 25  5  12 x ?        ?         ?              ?        
1 1 1 25  5  13 x ?        ?         ?              ?        
1 1 1 25  5  14 x ?        ?         ?              ?        
1 1 1 25  5  15 x ?        ?         ?              ?        
1 1 1 25  6  0  o 26.83491 5.198311  11.39553       10.39662 
1 1 1 25  6  1  o 19.50959 5.211773  7.194801       10.42355 
1 1 1 25  6  2  o 26.95446 4.743573  15.89851       9.487145 
1 1 1 25  6  3  o 17.55400 4.651845  1.951797       9.303691 
1 1 1 25  6  4  o 60.35832 2.970096  -10.50916      5.940191 
1 1 1 25  6  5  o 23.92295 3.910865  -13.99083      7.821730 
1 1 1 25  6  6  o 15.72806 4.077224  -10.21568      8.154449 
1 1 1 25  6  7  o 19.09095 4.315697  -0.2730083     8.631393 
1 1 1 25  6  8  o 38.09260 2.964973  -7.363216      5.929946 
1 1 1 25  6  9  o 29.97786 3.382849  -21.12194      6.765699 
1 1 1 25  6  10 x ?        ?         ?              ?        
1 1 1 25  6  11 o 28.32485 4.569491  ?              ?        
1 1 1 25  6  12 x ?        ?         ?              ?        
1 1 1 25  6  13 x ?        ?         ?              ?        
1 1 1 25  6  14 x ?        ?         ?              ?        
1 1 1 25  7  0  o 60.23548 3.367320  -3.326820      6.734639 
1 1 1 25  7  1  o 19.32089 5.146279  8.188603       10.29256 
1 1 1 25  7  2  o 25.36794 8.574362  ?              ?        
1 1 1 25  7  3  o 28.97487 4.608017  -0.4484615     9.216034 
1 1 1 25  7  4  o 35.68980 4.070927  -1.462536      8.141854 
1 1 1 25  7  5  o 57.34207 2.184187  ?              ?        
1 1 1 25  7  6  o 24.08401 3.922544  -11.29181      7.845088 
1 1 1 25  7  7  o 33.20743 2.941039  1.269638       5.882077 
1 1 1 25  7  8  o 22.32063 3.945704  -7.823643      7.891408 
1 1 1 25  7  9  o 13.53602 3.540100  -3.004463      7.080200 
1 1 1 25  7  10 o 19.11917 4.468621  ?              ?        
1 1 1 25  7  11 x ?        ?         ?              ?        
1 1 1 25  7  12 x ?        ?         ?              ?        
1 1 1 25  7  13 x ?        ?         ?              ?        
1 1 1 25  7  14 x ?        ?         ?              ?        
1 1 1 25  8  0  o 24.09558 8.950135  ?              ?        
1 1 1 25  8  1  o 50.81084 3.657866  0.5930061      7.315731 
1 1 1 25  8  2  o 36.20391 4.336602  3.074722       8.673203 
1 1 1 25  8  3  o 25.96956 4.850345  14.72369       9.700690 
1 1 1 25  8  4  o 19.27945 4.652554  1.765507       9.305108 
1 1 1 25  8  5  o 47.60150 5.133706  ?              ?        
1 1 1 25  8  6  x ?        ?         ?              ?        
1 1 1 25  8  7  o 14.84920 4.139117  8.527463       8.278234 
1 1 1 25  8  8  o 37.63173 3.072507  -13.18660      6.145015 
1 1 1 25  8  9  o 42.68329 2.452517  -18.78038      4.905034 
1 1 1 25  8  10 o 17.83055 5.702331  ?              ?        
1 1 1 25  8  11 o 12.06923 4.848938  ?              ?        
1 1 1 25  8  12 x ?        ?         ?              ?        
1 1 1 25  8  13 x ?        ?         ?              ?        
1 1 1 25  9  0  o 55.51791 3.660421  -6.347439      7.320842 
1 1 1 25  9  1  o 24.61089 4.319990  -18.85747      8.639980 
1 1 1 25  9  2  o 39.92933 4.225921  14.42751       8.451842 
1 1 1 25  9  3  o 16.57650 4.319486  -3.452939      8.638972 
1 1 1 25  9  4  o 23.31874 4.418925  -3.191767      8.837851 
1 1 1 25  9  5  o 12.37238 3.881854  3.502922       7.763708 
1 1 1 25  9  6  o 41.40772 3.468241  -15.40649      6.936482 
1 1 1 25  9  7  x ?        ?         ?              ?        
1 1 1 25  9  8  o 16.42144 4.077296  0.6164074      8.154593 
1 1 1 25  9  9  o 17.15395 3.561449  -10.46812      7.122898 
1 1 1 25  9  10 o 13.75371 5.882251  ?              ?        
1 1 1 25  9  11 o 13.34184 5.574651  ?              ?        
1 1 1 25  9  12 x ?        ?         ?              ?        
1 1 1 25  9  13 x ?        ?         ?              ?        
1 1 1 25  10 0  o 28.87491 4.261246  ?              ?        
1 1 1 25  10 1  o 18.95070 5.014023  12.78585       10.02805 
1 1 1 25  10 2  o 28.77221 4.375190  -22.99372      8.750380 
1 1 1 25  10 3  o 23.71998 5.110620  -6.861635      10.22124 
1 1 1 25  10 4  o 31.97852 4.124286  -21.64633      8.248572 
1 1 1 25  10 5  o 26.38414 7.414287  ?              ?        
1 1 1 25  10 6  o 19.74355 4.166950  -8.203727      8.333900 
1 1 1 25  10 7  o 23.98880 3.416792  -19.82679      6.833584 
1 1 1 25  10 8  o 34.49086 3.467372  ?              ?        
1 1 1 25  10 9  o 44.22357 3.004722  ?              ?        
1 1 1 25  10 10 o 10.51675 5.104719  ?              ?        
1 1 1 25  10 11 o 15.49843 5.146752  ?              ?        
1 1 1 25  10 12 x ?        ?         ?              ?        
1 1 1 25  11 0  o 19.85684 4.405818  -8.138274      8.811636 
1 1 1 25  11 1  o 22.90267 5.471193  ?              ?        
1 1 1 25  11 2  o 17.98193 4.841572  5.690114       9.683145 
1 1 1 25  11 3  o 29.61115 5.170143  -4.018877      10.34029 
1 1 1 25  11 4  o 37.79583 3.908531  -2.176235      7.817061 
1 1 1 25  11 5  o 19.97056 4.663687  -12.30069      9.327374 
1 1 1 25  11 6  o 23.29237 4.442186  -1.416235      8.884373 
1 1 1 25  11 7  o 22.34400 3.496614  -19.28799      6.993227 
1 1 1 25  11 8  o 66.58796 2.452101  -24.30715      4.904202 
1 1 1 25  11 9  o 55.65733 2.855663  ?              ?        
1 1 1 25  11 10 o 11.58916 5.541865  ?              ?        
1 1 1 25  11 11 o 17.71118 5.875586  ?              ?        
1 1 1 25  12 0  o 14.58009 4.376867  -0.2568121     8.753735 
1 1 1 25  12 1  o 23.55338 5.081481  1.340982       10.16296 
1 1 1 25  12 2  o 33.15054 4.393494  -25.68925      8.786988 
1 1 1 25  12 3  o 14.75458 4.491129  1.365118       8.982258 
1 1 1 25  12 4  o 49.58910 3.245705  -15.17381      6.491411 
1 1 1 25  12 5  o 37.91977 3.627211  -21.89342      7.254421 
1 1 1 25  12 6  o 29.70662 3.797574  -16.20814      7.595149 
1 1 1 25  12 7  o 45.10617 3.384589  -15.26874      6.769178 
1 1 1 25  12 8  o 33.95687 3.263864  2.699532       6.527728 
1 1 1 25  12 9  o 10.74933 4.894162  ?              ?        
1 1 1 25  12 10 o 29.47778 6.976441  ?              ?        
1 1 1 25  13 0  o 14.11151 4.339690  1.156309       8.679379 
1 1 1 25  13 1  o 21.08457 4.485981  -10.28947      8.971963 
1 1 1 25  13 2  o 26.46380 4.582450  -12.66199      9.164900 
1 1 1 25  13 3  o 33.77132 3.959263  -7.146015      7.918527 
1 1 1 25  13 4  o 21.95980 5.948360  ?              ?        
1 1 1 25  13 5  o 29.02987 3.675973  1.049095       7.351946 
1 1 1 25  13 6  o 51.03759 3.362246  -19.89056      6.724492 
1 1 1 25  13 7  o 26.26836 4.055900  -6.844891      8.111799 
1 1 1 25  13 8  o 21.58505 5.842565  ?              ?        
1 1 1 25  13 9  o 41.69664 5.891203  ?              ?        
1 1 1 25  14 0  o 22.95392 4.895709  -3.423782      9.791418 
1 1 1 25  14 1  o 33.18174 4.222288  -20.14946      8.444575 
1 1 1 25  14 2  o 14.79593 4.068033  -6.459039      8.136066 
1 1 1 25  14 3  o 13.64622 4.094134  -0.2614269     8.188269 
1 1 1 25  14 4  o 14.38295 4.182743  2.161963       8.365486 
1 1 1 25  14 5  f 39.76904 3.484637  -13.77579      6.969275 
1 1 1 25  14 6  o 16.75466 4.002526  -10.05594      8.005053 
1 1 1 25  14 7  o 10.33326 3.387041  -1.138155      6.774081 
1 1 1 25  14 8  o 35.24593 3.866528  ?              ?        
1 1 1 25  15 0  o 16.98649 4.202053  -9.561489      8.404106 
1 1 1 25  15 1  o 9.506312 4.617536  ?              ?        
1 1 1 25  15 2  o 14.67001 4.359293  -4.228250      8.718586 
1 1 1 25  15 3  o 15.36896 3.999830  -7.159684      7.999660 
1 1 1 25  15 4  o 29.44960 3.896766  -19.45946      7.793533 
1 1 1 25  15 5  o 22.37869 4.231221  -9.555656      8.462442 
1 1 1 25  15 6  o 16.72210 4.129000  7.039532       8.257999 
1 1 1 25  15 7  o 25.07131 5.288752  ?              ?        
1 1 1 25  16 0  o 13.20988 4.023003  4.032435       8.046006 
1 1 1 25  16 1  o 13.16640 4.255488  -3.260823      8.510977 
1 1 1 25  16 2  o 10.24942 3.434507  4.257341       6.869014 
1 1 1 25  16 3  o 26.76798 4.342541  -1.830692      8.685082 
1 1 1 25  16 4  o 21.09983 4.794701  6.248474       9.589401 
1 1 1 25  16 5  o 13.40390 4.081394  -0.8587379     8.162788 
1 1 1 25  17 0  o 18.43961 4.259157  -10.70198      8.518314 
1 1 1 25  17 1  o 9.156502 4.408387  ?              ?        
1 1 1 25  17 2  o 21.84507 4.312597  -10.08851      8.625194 
1 1 1 25  17 3  o 13.63620 4.331033  -1.478068      8.662066 
1 1 1 25  18 0  f 18.05135 3.765579  -14.16558      7.531159 
1 1 1 25  18 1  o 22.53754 4.492837  12.79122       8.985674 
1 1 1 26  0  0  o 46.43642 4.430379  -0.000000      0.000000 
1 1 1 26  0  1  o 28.83115 6.726140  -0.000000      0.000000 
1 1 1 26  0  2  o 15.40438 7.988798  -0.000000      0.000000 
1 1 1 26  0  3  o 11.04082 6.893230  -0.000000      0.000000 
1 1 1 26  0  4  o 13.59024 8.497758  -0.000000      0.000000 
1 1 1 26  0  5  o 39.25556 4.299946  -0.000000      0.000000 
1 1 1 26  0  6  o 6.328481 4.478530  -0.000000      0.000000 
1 1 1 26  0  7  o 18.28187 7.969696  -0.000000      0.000000 
1 1 1 26  0  8  o 28.87759 4.857087  -0.000000      0.000000 
1 1 1 26  0  9  x ?        ?         ?              ?        
1 1 1 26  0  10 x ?        ?         ?              ?        
1 1 1 26  0  11 x ?        ?         ?              ?        
1 1 1 26  0  12 x ?        ?         ?              ?        
1 1 1 26  0  13 x ?        ?         ?              ?        
1 1 1 26  0  14 x ?        ?         ?              ?        
1 1 1 26  1  0  o 18.38132 4.794620  3.804445       9.589240 
1 1 1 26  1  1  o 22.52577 4.823628  2.813841       9.647257 
1 1 1 26  1  2  o 24.13063 4.054691  -16.12787      8.109382 
1 1 1 26  1  3  o 13.03082 4.044460  5.361362       8.088921 
1 1 1 26  1  4  o 39.09891 5.371027  0.5009460      10.74205 
1 1 1 26  1  5  o 50.39359 4.359564  ?              ?        
1 1 1 26  1  6  o 15.34951 4.215986  10.12671       8.431973 
1 1 1 26  1  7  o 20.04563 4.166644  7.678551       8.333287 
1 1 1 26  1  8  o 15.15975 4.006858  -2.462923      8.013716 
1 1 1 26  1  9  o 27.26041 4.166898  ?              ?        
1 1 1 26  1  10 x ?        ?         ?              ?        
1 1 1 26  1  11 x ?        ?         ?              ?        
1 1 1 26  1  12 x ?        ?         ?              ?        
1 1 1 26  1  13 x ?        ?         ?              ?        
1 1 1 26  1  14 x ?        ?         ?              ?        
1 1 1 26  2  0  o 51.27208 2.825558  3.400688       5.651117 
1 1 1 26  2  1  o 48.72856 2.815060  -0.2325478     5.630121 
1 1 1 26  2  2  o 41.26822 3.071135  -0.8635063     6.142271 
1 1 1 26  2  3  o 43.94633 2.980179  -6.389847      5.960357 
1 1 1 26  2  4  o 63.91720 3.241234  -5.033215      6.482469 
1 1 1 26  2  5  f 37.77042 3.710199  -2.081451      7.420399 
1 1 1 26  2  6  o 28.18216 3.845794  -9.503248      7.691589 
1 1 1 26  2  7  o 14.35414 3.762183  -4.104146      7.524367 
1 1 1 26  2  8  o 20.97182 3.637220  -7.155012      7.274440 
1 1 1 26  2  9  o 21.80842 5.480154  ?              ?        
1 1 1 26  2  10 x ?        ?         ?              ?        
1 1 1 26  2  11 x ?        ?         ?              ?        
1 1 1 26  2  12 x ?        ?         ?              ?        
1 1 1 26  2  13 x ?        ?         ?              ?        
1 1 1 26  2  14 x ?        ?         ?              ?        
1 1 1 26  3  0  o 38.20953 3.394102  -1.198944      6.788205 
1 1 1 26  3  1  o 65.84035 2.482600  -9.768456      4.965200 
1 1 1 26  3  2  o 70.12490 2.320684  -9.633224      4.641368 
1 1 1 26  3  3  f 62.99815 2.746972  7.561558       5.493943 
1 1 1 26  3  4  o 16.33208 5.813231  ?              ?        
1 1 1 26  3  5  o 43.50019 3.212778  -0.4550934E-02 6.425555 
1 1 1 26  3  6  o 25.06388 3.736699  -15.54165      7.473397 
1 1 1 26  3  7  o 25.30759 3.663061  -4.746012      7.326121 
1 1 1 26  3  8  o 11.76171 4.997698  ?              ?        
1 1 1 26  3  9  o 24.79823 3.511036  ?              ?        
1 1 1 26  3  10 x ?        ?         ?              ?        
1 1 1 26  3  11 x ?        ?         ?              ?        
1 1 1 26  3  12 x ?        ?         ?              ?        
1 1 1 26  3  13 x ?        ?         ?              ?        
1 1 1 26  4  0  o 46.56334 3.557354  4.782036       7.114709 
1 1 1 26  4  1  o 15.32694 4.129025  -4.840481      8.258050 
1 1 1 26  4  2  o 23.44421 4.662593  2.709772       9.325187 
1 1 1 26  4  3  o 39.07664 3.297585  -2.632500      6.595170 
1 1 1 26  4  4  o 30.37983 3.838511  ?              ?        
1 1 1 26  4  5  o 12.94656 3.922556  1.874492       7.845112 
1 1 1 26  4  6  o 27.57674 4.293998  -0.2922821     8.587996 
1 1 1 26  4  7  f 17.07560 3.424074  -11.30411      6.848149 
1 1 1 26  4  8  o 34.78489 2.908159  -13.72988      5.816319 
1 1 1 26  4  9  o 18.11504 3.444632  -2.789648      6.889264 
1 1 1 26  4  10 x ?        ?         ?              ?        
1 1 1 26  4  11 x ?        ?         ?              ?        
1 1 1 26  4  12 x ?        ?         ?              ?        
1 1 1 26  4  13 x ?        ?         ?              ?        
1 1 1 26  5  0  o 12.75404 3.996997  0.5625248      7.993993 
1 1 1 26  5  1  o 21.10061 4.972106  4.236057       9.944213 
1 1 1 26  5  2  o 17.47271 4.554697  -1.229424      9.109394 
1 1 1 26  5  3  o 28.54596 4.179878  -8.665590      8.359756 
1 1 1 26  5  4  o 41.10246 3.062960  -8.783119      6.125920 
1 1 1 26  5  5  o 38.38470 3.692091  -11.30323      7.384182 
1 1 1 26  5  6  o 32.71824 3.445856  10.27604       6.891711 
1 1 1 26  5  7  o 8.920206 2.970032  -1.100566      5.940065 
1 1 1 26  5  8  o 25.55963 3.391294  -2.300116      6.782587 
1 1 1 26  5  9  o 25.93844 2.961663  -18.56384      5.923326 
1 1 1 26  5  10 x ?        ?         ?              ?        
1 1 1 26  5  11 x ?        ?         ?              ?        
1 1 1 26  5  12 x ?        ?         ?              ?        
1 1 1 26  5  13 x ?        ?         ?              ?        
1 1 1 26  6  0  o 15.30983 4.613378  7.392107       9.226755 
1 1 1 26  6  1  o 56.15416 3.028502  -11.07825      6.057003 
1 1 1 26  6  2  o 46.03701 3.191452  -7.137596      6.382904 
1 1 1 26  6  3  o 13.26662 4.185953  8.408086       8.371905 
1 1 1 26  6  4  o 17.56244 4.317568  -2.449947      8.635136 
1 1 1 26  6  5  o 48.63066 2.541245  ?              ?        
1 1 1 26  6  6  o 13.04105 5.676046  ?              ?        
1 1 1 26  6  7  o 14.01010 3.840337  -3.277017      7.680674 
1 1 1 26  6  8  o 23.60943 3.328388  -12.24417      6.656776 
1 1 1 26  6  9  o 25.26287 3.007552  -30.13047      6.015104 
1 1 1 26  6  10 x ?        ?         ?              ?        
1 1 1 26  6  11 x ?        ?         ?              ?        
1 1 1 26  6  12 x ?        ?         ?              ?        
1 1 1 26  6  13 x ?        ?         ?              ?        
1 1 1 26  7  0  o 30.78251 8.166173  ?              ?        
1 1 1 26  7  1  o 38.46763 3.966457  -10.29905      7.932913 
1 1 1 26  7  2  o 30.70543 4.155695  -22.08360      8.311390 
1 1 1 26  7  3  o 28.48486 4.441647  2.378206       8.883294 
1 1 1 26  7  4  o 39.80066 3.644315  -17.29084      7.288630 
1 1 1 26  7  5  o 15.39965 3.673568  -7.754082      7.347136 
1 1 1 26  7  6  o 34.31095 3.326656  -14.46284      6.653312 
1 1 1 26  7  7  o 16.92870 4.227213  -8.043135      8.454427 
1 1 1 26  7  8  o 33.18772 2.717010  -10.27827      5.434019 
1 1 1 26  7  9  x ?        ?         ?              ?        
1 1 1 26  7  10 x ?        ?         ?              ?        
1 1 1 26  7  11 x ?        ?         ?              ?        
1 1 1 26  7  12 x ?        ?         ?              ?        
1 1 1 26  8  0  o 20.72750 4.551651  -4.789808      9.103303 
1 1 1 26  8  1  o 15.22714 6.926858  ?              ?        
1 1 1 26  8  2  o 21.95621 4.761620  6.453232       9.523240 
1 1 1 26  8  3  o 27.64757 4.230625  -12.30707      8.461249 
1 1 1 26  8  4  o 27.36508 3.786301  -17.86807      7.572602 
1 1 1 26  8  5  o 35.45556 3.486542  -18.72650      6.973083 
1 1 1 26  8  6  o 15.49085 3.898139  -6.397265      7.796278 
1 1 1 26  8  7  o 24.02216 3.334789  -21.76230      6.669579 
1 1 1 26  8  8  o 20.47350 4.137040  -16.86890      8.274079 
1 1 1 26  8  9  o 38.56967 4.975103  ?              ?        
1 1 1 26  8  10 x ?        ?         ?              ?        
1 1 1 26  8  11 x ?        ?         ?              ?        
1 1 1 26  8  12 x ?        ?         ?              ?        
1 1 1 26  9  0  f 27.09859 4.333009  ?              ?        
1 1 1 26  9  1  o 12.86578 4.200155  4.182837       8.400310 
1 1 1 26  9  2  o 16.28574 4.084890  -7.119684      8.169781 
1 1 1 26  9  3  o 18.03654 4.732255  -6.319529      9.464510 
1 1 1 26  9  4  o 14.24309 4.233051  2.842898       8.466103 
1 1 1 26  9  5  o 27.02587 3.802014  -19.36563      7.604027 
1 1 1 26  9  6  o 14.28797 4.052889  0.2657290      8.105779 
1 1 1 26  9  7  o 21.85196 5.446702  ?              ?        
1 1 1 26  9  8  o 18.94770 3.764920  -10.18714      7.529839 
1 1 1 26  9  9  o 16.13085 6.459855  ?              ?        
1 1 1 26  9  10 x ?        ?         ?              ?        
1 1 1 26  9  11 x ?        ?         ?              ?        
1 1 1 26  10 0  o 11.27914 3.822909  2.974442       7.645818 
1 1 1 26  10 1  f 30.21017 4.245363  ?              ?        
1 1 1 26  10 2  f 13.08368 4.045561  0.6017408      8.091122 
1 1 1 26  10 3  o 16.53799 4.135217  -6.706147      8.270433 
1 1 1 26  10 4  o 16.44766 4.561537  8.542345       9.123074 
1 1 1 26  10 5  o 11.37123 3.613622  -0.2754707     7.227244 
1 1 1 26  10 6  o 13.79611 3.968950  1.446043       7.937899 
1 1 1 26  10 7  o 23.52187 3.113834  -27.45560      6.227667 
1 1 1 26  10 8  o 22.65624 6.043932  ?              ?        
1 1 1 26  10 9  o 14.16724 6.275167  ?              ?        
1 1 1 26  10 10 x ?        ?         ?              ?        
1 1 1 26  11 0  o 12.71949 3.965383  -1.381124      7.930767 
1 1 1 26  11 1  o 14.38597 4.329539  4.656372       8.659079 
1 1 1 26  11 2  o 44.44847 3.559696  ?              ?        
1 1 1 26  11 3  o 17.63125 4.401024  -5.648481      8.802049 
1 1 1 26  11 4  o 33.82669 4.160070  -6.954130      8.320140 
1 1 1 26  11 5  o 22.67183 3.514466  -18.91429      7.028932 
1 1 1 26  11 6  o 22.07767 4.628463  8.538782       9.256926 
1 1 1 26  11 7  o 39.54520 3.185765  -21.14579      6.371529 
1 1 1 26  11 8  f 19.33395 7.238933  ?              ?        
1 1 1 26  11 9  o 20.90783 7.379367  ?              ?        
1 1 1 26  12 0  o 20.36803 4.612152  -4.363342      9.224303 
1 1 1 26  12 1  o 19.69570 4.755038  4.260548       9.510076 
1 1 1 26  12 2  o 14.04953 4.200634  4.484831       8.401267 
1 1 1 26  12 3  o 28.84219 5.158813  ?              ?        
1 1 1 26  12 4  o 12.42033 3.879061  -3.797368      7.758123 
1 1 1 26  12 5  o 18.66642 4.641479  6.584782       9.282957 
1 1 1 26  12 6  o 31.29656 3.700010  -23.94315      7.400020 
1 1 1 26  12 7  o 11.54786 3.618545  -6.849734      7.237090 
1 1 1 26  12 8  x ?        ?         ?              ?        
1 1 1 26  13 0  o 12.50989 3.917083  -4.235570      7.834167 
1 1 1 26  13 1  o 26.03460 4.525162  -1.119183      9.050324 
1 1 1 26  13 2  o 14.89203 4.250921  -2.593359      8.501842 
1 1 1 26  13 3  o 18.84934 3.407208  -21.00396      6.814416 
1 1 1 26  13 4  o 20.94585 4.494799  -4.958000      8.989597 
1 1 1 26  13 5  o 22.66796 4.140763  -14.03225      8.281526 
1 1 1 26  13 6  o 17.41336 4.732970  0.8683586      9.465940 
1 1 1 26  13 7  o 19.29858 3.767846  -13.31825      7.535692 
1 1 1 26  14 0  f 23.02003 4.575161  -4.159067      9.150322 
1 1 1 26  14 1  o 12.61969 4.008126  2.681866       8.016253 
1 1 1 26  14 2  o 31.53380 3.807648  4.893162       7.615296 
1 1 1 26  14 3  o 15.41654 4.178746  -5.386451      8.357491 
1 1 1 26  14 4  o 40.56882 3.498534  -14.89656      6.997068 
1 1 1 26  14 5  o 13.49012 3.924253  -0.1032887     7.848506 
1 1 1 26  14 6  o 16.84712 5.921164  ?              ?        
1 1 1 26  15 0  o 20.36887 5.123584  -2.672520      10.24717 
1 1 1 26  15 1  o 13.98136 3.878622  -7.347136      7.757244 
1 1 1 26  15 2  o 33.01154 3.733012  -3.938690      7.466024 
1 1 1 26  15 3  o 23.08773 4.896082  -4.649561      9.792165 
1 1 1 26  15 4  o 30.05611 3.836304  -5.016176      7.672607 
1 1 1 26  16 0  o 13.76328 5.734987  ?              ?        
1 1 1 26  16 1  o 12.00476 3.839091  1.463200       7.678183 
1 1 1 26  16 2  o 25.61905 5.431982  3.612787       10.86396 
1 1 1 26  17 0  o 19.26044 4.748655  2.757336       9.497310 
1 1 1 27  0  0  o 29.38199 6.682852  -0.000000      0.000000 
1 1 1 27  0  1  o 45.61869 4.243675  -0.000000      0.000000 
1 1 1 27  0  2  o 13.92754 7.559789  -0.000000      0.000000 
1 1 1 27  0  3  o 16.35128 7.743475  -0.000000      0.000000 
1 1 1 27  0  4  o 26.72137 6.034328  -0.000000      0.000000 
1 1 1 27  0  5  o 8.661900 5.590517  -0.000000      0.000000 
1 1 1 27  0  6  o 9.084462 5.878764  -0.000000      0.000000 
1 1 1 27  0  7  o 18.81150 6.914682  -0.000000      0.000000 
1 1 1 27  0  8  o 16.71835 6.519315  -0.000000      0.000000 
1 1 1 27  0  9  x ?        ?         ?              ?        
1 1 1 27  0  10 x ?        ?         ?              ?        
1 1 1 27  0  11 x ?        ?         ?              ?        
1 1 1 27  0  12 x ?        ?         ?              ?        
1 1 1 27  1  0  o 37.87265 3.370075  1.302498       6.740150 
1 1 1 27  1  1  o 12.76808 5.820340  ?              ?        
1 1 1 27  1  2  o 11.85470 3.846817  0.4225731E-02  7.693634 
1 1 1 27  1  3  o 15.33265 4.077762  7.244800       8.155523 
1 1 1 27  1  4  o 13.41512 3.722919  -7.483161      7.445837 
1 1 1 27  1  5  o 16.03867 4.315060  -9.337797      8.630120 
1 1 1 27  1  6  o 37.85223 2.731797  -0.4362030     5.463595 
1 1 1 27  1  7  f 11.37679 3.239494  -6.609218      6.478988 
1 1 1 27  1  8  o 17.14016 3.948719  0.3430424      7.897437 
1 1 1 27  1  9  x ?        ?         ?              ?        
1 1 1 27  1  10 x ?        ?         ?              ?        
1 1 1 27  1  11 x ?        ?         ?              ?        
1 1 1 27  1  12 x ?        ?         ?              ?        
1 1 1 27  2  0  o 11.98199 3.911006  0.5716610E-01  7.822013 
1 1 1 27  2  1  o 22.52908 3.865867  -17.01200      7.731735 
1 1 1 27  2  2  o 20.76317 6.535869  ?              ?        
1 1 1 27  2  3  o 18.79856 3.934288  -11.50637      7.868576 
1 1 1 27  2  4  o 15.52601 4.105516  -5.701416      8.211032 
1 1 1 27  2  5  o 31.73887 3.866482  3.491056       7.732964 
1 1 1 27  2  6  o 10.33862 3.317895  -1.832026      6.635791 
1 1 1 27  2  7  o 26.20938 3.424430  -5.735151      6.848860 
1 1 1 27  2  8  o 14.53604 3.485272  -3.048021      6.970544 
1 1 1 27  2  9  x ?        ?         ?              ?        
1 1 1 27  2  10 x ?        ?         ?              ?        
1 1 1 27  2  11 x ?        ?         ?              ?        
1 1 1 27  2  12 x ?        ?         ?              ?        
1 1 1 27  3  0  o 16.60033 4.807088  3.400399       9.614176 
1 1 1 27  3  1  o 23.85802 6.706110  ?              ?        
1 1 1 27  3  2  o 36.71164 3.605937  -15.77239      7.211873 
1 1 1 27  3  3  o 19.31115 4.368402  -6.393259      8.736804 
1 1 1 27  3  4  f 40.49836 4.770948  ?              ?        
1 1 1 27  3  5  f 19.41339 4.089900  -2.903379      8.179801 
1 1 1 27  3  6  o 17.05161 4.425943  -1.829651      8.851887 
1 1 1 27  3  7  o 29.61225 2.760695  2.593351       5.521391 
1 1 1 27  3  8  o 12.93333 5.407586  ?              ?        
1 1 1 27  3  9  x ?        ?         ?              ?        
1 1 1 27  3  10 x ?        ?         ?              ?        
1 1 1 27  3  11 x ?        ?         ?              ?        
1 1 1 27  3  12 x ?        ?         ?              ?        
1 1 1 27  4  0  o 27.65783 7.132401  ?              ?        
1 1 1 27  4  1  o 54.57474 3.152653  -8.616322      6.305306 
1 1 1 27  4  2  o 19.69824 4.297241  16.87382       8.594482 
1 1 1 27  4  3  o 44.28630 3.129266  -15.45385      6.258533 
1 1 1 27  4  4  o 34.90268 3.709361  -23.15312      7.418722 
1 1 1 27  4  5  o 51.62695 2.577952  -19.66403      5.155904 
1 1 1 27  4  6  o 10.46737 4.825990  ?              ?        
1 1 1 27  4  7  o 10.29265 3.225210  -1.574923      6.450420 
1 1 1 27  4  8  o 19.15823 6.355591  ?              ?        
1 1 1 27  4  9  x ?        ?         ?              ?        
1 1 1 27  4  10 x ?        ?         ?              ?        
1 1 1 27  4  11 x ?        ?         ?              ?        
1 1 1 27  5  0  o 56.41574 3.019030  -8.911484      6.038061 
1 1 1 27  5  1  o 27.75633 4.149338  -13.99376      8.298676 
1 1 1 27  5  2  o 16.51797 6.874842  ?              ?        
1 1 1 27  5  3  o 13.85479 3.947579  -3.691157      7.895157 
1 1 1 27  5  4  o 18.76447 3.921926  -9.131288      7.843852 
1 1 1 27  5  5  o 56.01049 2.546543  ?              ?        
1 1 1 27  5  6  o 34.03017 3.060012  -19.98031      6.120025 
1 1 1 27  5  7  o 13.76652 3.948369  -2.411409      7.896739 
1 1 1 27  5  8  o 22.75148 6.555079  ?              ?        
1 1 1 27  5  9  x ?        ?         ?              ?        
1 1 1 27  5  10 x ?        ?         ?              ?        
1 1 1 27  5  11 x ?        ?         ?              ?        
1 1 1 27  6  0  o 23.30629 7.714919  ?              ?        
1 1 1 27  6  1  o 11.38682 3.763061  4.651362       7.526122 
1 1 1 27  6  2  o 22.37228 3.948464  -11.25985      7.896928 
1 1 1 27  6  3  o 22.24757 4.009948  -9.224110      8.019897 
1 1 1 27  6  4  o 15.53005 4.228432  1.466514       8.456864 
1 1 1 27  6  5  o 10.09708 3.309759  3.485138       6.619517 
1 1 1 27  6  6  o 12.59113 3.665273  -1.676713      7.330546 
1 1 1 27  6  7  o 13.54876 3.941275  0.6438398      7.882550 
1 1 1 27  6  8  x ?        ?         ?              ?        
1 1 1 27  6  9  x ?        ?         ?              ?        
1 1 1 27  6  10 x ?        ?         ?              ?        
1 1 1 27  6  11 x ?        ?         ?              ?        
1 1 1 27  7  0  o 29.13481 4.022601  -21.98501      8.045202 
1 1 1 27  7  1  o 20.49979 7.583830  ?              ?        
1 1 1 27  7  2  o 23.84123 3.997607  -13.27031      7.995214 
1 1 1 27  7  3  o 65.33360 2.677151  -34.36292      5.354303 
1 1 1 27  7  4  o 23.46066 3.740070  -8.011713      7.480140 
1 1 1 27  7  5  o 18.19494 6.323739  ?              ?        
1 1 1 27  7  6  o 27.86062 4.210198  ?              ?        
1 1 1 27  7  7  o 15.27024 3.757921  -6.296021      7.515843 
1 1 1 27  7  8  o 25.73652 7.555699  ?              ?        
1 1 1 27  7  9  x ?        ?         ?              ?        
1 1 1 27  7  10 x ?        ?         ?              ?        
1 1 1 27  8  0  o 43.82019 3.284085  ?              ?        
1 1 1 27  8  1  o 30.81826 4.267319  -15.40616      8.534637 
1 1 1 27  8  2  o 38.30840 3.994381  -14.11909      7.988762 
1 1 1 27  8  3  o 11.26377 3.605305  4.721253       7.210609 
1 1 1 27  8  4  o 16.54237 4.454322  0.7884941      8.908644 
1 1 1 27  8  5  o 24.26292 3.532465  -22.76202      7.064929 
1 1 1 27  8  6  o 30.28204 3.494638  -23.85587      6.989277 
1 1 1 27  8  7  o 16.05033 3.906650  -7.438931      7.813301 
1 1 1 27  8  8  o 14.18819 6.344933  ?              ?        
1 1 1 27  8  9  x ?        ?         ?              ?        
1 1 1 27  8  10 x ?        ?         ?              ?        
1 1 1 27  9  0  o 19.55338 4.622079  -2.406042      9.244159 
1 1 1 27  9  1  o 12.98398 3.924320  -3.791237      7.848639 
1 1 1 27  9  2  o 15.87364 4.556644  0.9747286      9.113289 
1 1 1 27  9  3  o 15.14117 4.082540  -7.602221      8.165079 
1 1 1 27  9  4  o 18.10240 4.550974  -12.83623      9.101949 
1 1 1 27  9  5  o 21.17685 3.670409  -16.95000      7.340817 
1 1 1 27  9  6  o 11.19522 3.557597  2.238302       7.115194 
1 1 1 27  9  7  o 48.42784 5.017342  ?              ?        
1 1 1 27  9  8  o 12.47946 5.905305  ?              ?        
1 1 1 27  9  9  x ?        ?         ?              ?        
1 1 1 27  10 0  o 29.76149 3.931856  -3.563162      7.863712 
1 1 1 27  10 1  o 18.17035 4.133029  -9.630901      8.266058 
1 1 1 27  10 2  o 35.28127 3.776574  -29.76465      7.553148 
1 1 1 27  10 3  o 33.50595 4.404885  -13.89058      8.809771 
1 1 1 27  10 4  o 35.95831 3.379382  -13.65740      6.758765 
1 1 1 27  10 5  o 26.93968 4.291926  -27.27226      8.583853 
1 1 1 27  10 6  o 11.05578 3.653516  -6.061347      7.307032 
1 1 1 27  10 7  o 52.72334 5.305307  ?              ?        
1 1 1 27  10 8  o 18.58624 7.555897  ?              ?        
1 1 1 27  11 0  o 11.13765 3.559621  -5.723313      7.119241 
1 1 1 27  11 1  o 36.65285 3.810735  -28.49528      7.621469 
1 1 1 27  11 2  o 22.60823 4.212521  -12.62702      8.425042 
1 1 1 27  11 3  o 26.56788 4.020481  -12.83030      8.040962 
1 1 1 27  11 4  o 12.05131 3.882646  1.445624       7.765293 
1 1 1 27  11 5  o 16.81747 4.093671  -13.01237      8.187342 
1 1 1 27  11 6  o 30.93872 3.830237  -11.35570      7.660475 
1 1 1 27  11 7  x ?        ?         ?              ?        
1 1 1 27  12 0  o 32.27844 4.158909  -19.05858      8.317819 
1 1 1 27  12 1  o 12.71234 4.022386  -0.2179613     8.044772 
1 1 1 27  12 2  o 10.93865 3.665963  -4.305504      7.331927 
1 1 1 27  12 3  o 18.32656 3.942872  -15.56420      7.885745 
1 1 1 27  12 4  o 18.80973 4.624046  1.037792       9.248092 
1 1 1 27  12 5  o 19.93923 4.168165  -11.22643      8.336330 
1 1 1 27  12 6  o 28.67796 3.690449  -22.94406      7.380898 
1 1 1 27  13 0  o 22.76883 5.130070  -5.286076      10.26014 
1 1 1 27  13 1  o 23.84227 4.512384  -4.906914      9.024769 
1 1 1 27  13 2  o 17.83828 4.469221  2.220037       8.938442 
1 1 1 27  13 3  o 19.45042 3.776829  -16.86880      7.553658 
1 1 1 27  13 4  o 11.76221 3.756999  0.7814798      7.513997 
1 1 1 27  13 5  o 27.37299 5.724861  ?              ?        
1 1 1 27  14 0  o 23.82809 4.138721  -16.56105      8.277441 
1 1 1 27  14 1  o 13.77143 4.147058  -2.773121      8.294117 
1 1 1 27  14 2  o 32.29005 4.423682  -7.443684      8.847363 
1 1 1 27  14 3  o 18.65041 4.576796  -2.220942      9.153591 
1 1 1 27  15 0  o 11.31919 3.648952  -0.9693871     7.297904 
1 1 1 27  15 1  o 17.49242 4.925400  -9.953138      9.850800 
1 1 1 28  0  0  f 15.42102 8.568205  -0.000000      0.000000 
1 1 1 28  0  1  o 9.030043 5.986372  -0.000000      0.000000 
1 1 1 28  0  2  o 7.593486 5.272765  -0.000000      0.000000 
1 1 1 28  0  3  o 19.14606 7.206478  -0.000000      0.000000 
1 1 1 28  0  4  o 27.92582 4.992980  -0.000000      0.000000 
1 1 1 28  0  5  o 8.202692 5.745380  -0.000000      0.000000 
1 1 1 28  0  6  o 11.93970 6.501248  -0.000000      0.000000 
1 1 1 28  0  7  x ?        ?         ?              ?        
1 1 1 28  0  8  x ?        ?         ?              ?        
1 1 1 28  0  9  x ?        ?         ?              ?        
1 1 1 28  0  10 x ?        ?         ?              ?        
1 1 1 28  1  0  o 18.25677 5.074762  1.008209       10.14952 
1 1 1 28  1  1  o 14.90456 4.239613  -3.422862      8.479225 
1 1 1 28  1  2  o 15.72415 3.750597  -11.93453      7.501194 
1 1 1 28  1  3  o 16.75525 3.841292  -10.95306      7.682585 
1 1 1 28  1  4  o 12.33974 5.151953  ?              ?        
1 1 1 28  1  5  o 12.08144 4.962869  ?              ?        
1 1 1 28  1  6  o 16.23693 4.131720  1.564910       8.263440 
1 1 1 28  1  7  x ?        ?         ?              ?        
1 1 1 28  1  8  x ?        ?         ?              ?        
1 1 1 28  1  9  x ?        ?         ?              ?        
1 1 1 28  1  10 x ?        ?         ?              ?        
1 1 1 28  2  0  o 35.86983 4.134485  -12.35915      8.268970 
1 1 1 28  2  1  o 54.28432 2.528513  -7.013977      5.057026 
1 1 1 28  2  2  o 25.88987 5.450257  ?              ?        
1 1 1 28  2  3  o 16.22047 4.164254  -3.263401      8.328507 
1 1 1 28  2  4  o 31.56677 3.228541  6.497173       6.457081 
1 1 1 28  2  5  o 13.60160 5.214407  ?              ?        
1 1 1 28  2  6  o 11.53638 3.535416  -2.287037      7.070833 
1 1 1 28  2  7  x ?        ?         ?              ?        
1 1 1 28  2  8  x ?        ?         ?              ?        
1 1 1 28  2  9  x ?        ?         ?              ?        
1 1 1 28  2  10 x ?        ?         ?              ?        
1 1 1 28  3  0  o 55.45037 2.990905  -13.48508      5.981809 
1 1 1 28  3  1  o 57.17170 2.899920  -13.20924      5.799840 
1 1 1 28  3  2  o 53.07867 2.460116  -15.15844      4.920232 
1 1 1 28  3  3  o 22.80075 4.189747  -10.30776      8.379495 
1 1 1 28  3  4  o 19.41088 4.207624  0.4381313      8.415248 
1 1 1 28  3  5  o 13.98436 5.297473  ?              ?        
1 1 1 28  3  6  o 15.72429 5.810339  ?              ?        
1 1 1 28  3  7  x ?        ?         ?              ?        
1 1 1 28  3  8  x ?        ?         ?              ?        
1 1 1 28  3  9  x ?        ?         ?              ?        
1 1 1 28  3  10 x ?        ?         ?              ?        
1 1 1 28  4  0  o 58.47409 3.006616  -17.95577      6.013232 
1 1 1 28  4  1  o 44.11706 2.699852  -12.99709      5.399705 
1 1 1 28  4  2  o 40.97892 3.160351  -6.497139      6.320702 
1 1 1 28  4  3  o 25.16378 4.098026  -6.894020      8.196052 
1 1 1 28  4  4  o 12.56569 3.580648  -8.473090      7.161296 
1 1 1 28  4  5  o 10.48228 4.680158  ?              ?        
1 1 1 28  4  6  o 17.38700 3.693444  -8.410082      7.386888 
1 1 1 28  4  7  x ?        ?         ?              ?        
1 1 1 28  4  8  x ?        ?         ?              ?        
1 1 1 28  4  9  x ?        ?         ?              ?        
1 1 1 28  5  0  o 44.41245 4.131657  -23.08295      8.263313 
1 1 1 28  5  1  o 31.75035 4.133088  -15.18852      8.266176 
1 1 1 28  5  2  f 19.52988 3.538872  -16.20068      7.077743 
1 1 1 28  5  3  o 31.86719 3.802975  -28.70342      7.605949 
1 1 1 28  5  4  o 35.23735 3.376921  -13.50762      6.753843 
1 1 1 28  5  5  o 11.95224 3.610025  2.440253       7.220050 
1 1 1 28  5  6  o 21.50157 3.643418  -2.100853      7.286836 
1 1 1 28  5  7  x ?        ?         ?              ?        
1 1 1 28  5  8  x ?        ?         ?              ?        
1 1 1 28  5  9  x ?        ?         ?              ?        
1 1 1 28  6  0  o 15.80636 4.228161  -5.825732      8.456323 
1 1 1 28  6  1  o 19.88608 6.956534  ?              ?        
1 1 1 28  6  2  o 36.10475 3.880950  -21.56744      7.761899 
1 1 1 28  6  3  o 30.57405 4.482136  ?              ?        
1 1 1 28  6  4  o 29.27113 3.489533  -23.04214      6.979065 
1 1 1 28  6  5  o 17.75661 4.131809  -8.716980      8.263618 
1 1 1 28  6  6  o 9.986143 4.642722  ?              ?        
1 1 1 28  6  7  x ?        ?         ?              ?        
1 1 1 28  6  8  x ?        ?         ?              ?        
1 1 1 28  7  0  o 41.67395 3.666021  ?              ?        
1 1 1 28  7  1  o 32.07705 4.048177  -12.79411      8.096354 
1 1 1 28  7  2  o 27.84418 4.095389  -20.31143      8.190778 
1 1 1 28  7  3  o 24.76745 3.952324  1.404526       7.904647 
1 1 1 28  7  4  o 10.19689 3.392820  -0.5441399     6.785639 
1 1 1 28  7  5  f 12.16791 3.814060  -0.3805513     7.628120 
1 1 1 28  7  6  o 65.70571 4.756210  ?              ?        
1 1 1 28  7  7  x ?        ?         ?              ?        
1 1 1 28  7  8  x ?        ?         ?              ?        
1 1 1 28  8  0  o 26.06727 3.876561  -22.72975      7.753123 
1 1 1 28  8  1  o 11.56172 3.772423  -2.363283      7.544846 
1 1 1 28  8  2  o 16.44264 4.687174  0.9654303      9.374348 
1 1 1 28  8  3  f 26.02665 4.656827  -17.22951      9.313655 
1 1 1 28  8  4  o 14.56982 4.167985  -6.646361      8.335970 
1 1 1 28  8  5  o 33.39857 3.510469  -23.60337      7.020938 
1 1 1 28  8  6  o 32.49051 8.059709  ?              ?        
1 1 1 28  8  7  x ?        ?         ?              ?        
1 1 1 28  9  0  o 18.77625 4.171575  -14.90808      8.343150 
1 1 1 28  9  1  o 46.40738 3.905338  ?              ?        
1 1 1 28  9  2  o 58.91939 2.799139  -43.46326      5.598279 
1 1 1 28  9  3  o 28.37837 4.799428  -22.85148      9.598857 
1 1 1 28  9  4  o 23.35574 4.394253  -23.65879      8.788507 
1 1 1 28  9  5  o 10.52548 3.516383  0.1828938      7.032766 
1 1 1 28  9  6  o 30.98063 8.914874  ?              ?        
1 1 1 28  10 0  o 21.53195 4.161880  -13.16632      8.323759 
1 1 1 28  10 1  o 15.91536 6.153546  ?              ?        
1 1 1 28  10 2  o 28.93304 6.116808  ?              ?        
1 1 1 28  10 3  o 23.72136 3.923791  -19.69149      7.847583 
1 1 1 28  10 4  o 17.44507 4.952235  -9.100625      9.904470 
1 1 1 28  10 5  o 24.09557 4.554546  -9.183290      9.109092 
1 1 1 28  10 6  x ?        ?         ?              ?        
1 1 1 28  11 0  o 27.57409 4.240770  -8.108217      8.481540 
1 1 1 28  11 1  o 20.42701 4.098648  -15.75315      8.197295 
1 1 1 28  11 2  o 21.53614 4.302283  -12.62798      8.604567 
1 1 1 28  11 3  o 14.33922 6.145603  ?              ?        
1 1 1 28  11 4  o 33.86067 3.783190  -30.59966      7.566379 
1 1 1 28  12 0  o 11.39118 3.731638  -0.9579306     7.463277 
1 1 1 28  12 1  o 19.52428 4.636753  -4.389954      9.273505 
1 1 1 28  12 2  f 22.31158 3.702785  -21.32278      7.405571 
1 1 1 28  12 3  o 29.70601 3.807585  -26.91689      7.615170 
1 1 1 28  13 0  o 19.45982 4.614874  -6.722677      9.229749 
1 1 1 28  13 1  o 27.32314 4.737973  -19.41362      9.475946 
1 1 1 29  0  0  o 9.717022 6.193252  -0.000000      0.000000 
1 1 1 29  0  1  o 8.597556 5.973057  -0.000000      0.000000 
1 1 1 29  0  2  o 13.45464 6.894088  -0.000000      0.000000 
1 1 1 29  0  3  o 8.295010 5.461540  -0.000000      0.000000 
1 1 1 29  0  4  o 6.415562 4.482754  -0.000000      0.000000 
1 1 1 29  0  5  o 7.870641 5.067609  -0.000000      0.000000 
1 1 1 29  0  6  x ?        ?         ?              ?        
1 1 1 29  0  7  x ?        ?         ?              ?        
1 1 1 29  0  8  x ?        ?         ?              ?        
1 1 1 29  1  0  o 18.46109 4.181448  9.358017       8.362896 
1 1 1 29  1  1  o 12.15991 3.790836  -2.274102      7.581673 
1 1 1 29  1  2  o 18.00009 4.100416  -6.258587      8.200831 
1 1 1 29  1  3  o 10.18194 3.327799  -0.3423643     6.655598 
1 1 1 29  1  4  o 12.91337 3.646876  2.767818       7.293751 
1 1 1 29  1  5  f 18.13292 3.820472  1.842836       7.640944 
1 1 1 29  1  6  x ?        ?         ?              ?        
1 1 1 29  1  7  x ?        ?         ?              ?        
1 1 1 29  1  8  x ?        ?         ?              ?        
1 1 1 29  2  0  o 11.95207 3.786557  -0.2433147     7.573114 
1 1 1 29  2  1  o 17.93760 4.158842  -8.112516      8.317684 
1 1 1 29  2  2  f 33.02472 3.088667  -1.560722      6.177334 
1 1 1 29  2  3  o 14.74743 3.999131  3.176015       7.998262 
1 1 1 29  2  4  o 15.63011 3.912770  -2.623206      7.825539 
1 1 1 29  2  5  o 12.11578 3.617175  -1.257992      7.234350 
1 1 1 29  2  6  x ?        ?         ?              ?        
1 1 1 29  2  7  x ?        ?         ?              ?        
1 1 1 29  3  0  o 16.73759 4.516750  3.018276       9.033500 
1 1 1 29  3  1  o 32.42485 4.301040  1.956390       8.602080 
1 1 1 29  3  2  o 17.34829 3.802062  12.55291       7.604123 
1 1 1 29  3  3  o 18.22890 4.492854  5.328553       8.985708 
1 1 1 29  3  4  o 14.65198 4.046382  -0.2988529     8.092765 
1 1 1 29  3  5  o 16.44132 3.981475  1.249475       7.962950 
1 1 1 29  3  6  x ?        ?         ?              ?        
1 1 1 29  3  7  x ?        ?         ?              ?        
1 1 1 29  4  0  o 15.58327 4.271506  1.453735       8.543012 
1 1 1 29  4  1  o 18.84651 4.836201  -9.810851      9.672402 
1 1 1 29  4  2  o 30.47171 3.818488  -13.32226      7.636975 
1 1 1 29  4  3  o 19.59233 4.185839  -8.978720      8.371678 
1 1 1 29  4  4  o 12.58821 3.872112  -0.6526518     7.744225 
1 1 1 29  4  5  o 13.40676 5.991974  ?              ?        
1 1 1 29  4  6  x ?        ?         ?              ?        
1 1 1 29  4  7  x ?        ?         ?              ?        
1 1 1 29  5  0  o 19.91690 4.615045  -1.747759      9.230090 
1 1 1 29  5  1  o 17.39296 6.465943  ?              ?        
1 1 1 29  5  2  o 28.73580 3.661700  -27.89845      7.323400 
1 1 1 29  5  3  o 13.89332 4.025156  -6.438483      8.050312 
1 1 1 29  5  4  o 15.37286 4.300580  -3.263459      8.601159 
1 1 1 29  5  5  o 23.85972 7.522163  ?              ?        
1 1 1 29  5  6  x ?        ?         ?              ?        
1 1 1 29  6  0  o 12.49754 5.518487  ?              ?        
1 1 1 29  6  1  o 17.86955 4.422059  -6.145364      8.844118 
1 1 1 29  6  2  o 19.60849 4.836118  -1.721827      9.672236 
1 1 1 29  6  3  o 27.14880 4.102570  -14.20854      8.205139 
1 1 1 29  6  4  o 13.59264 4.110402  -1.032619      8.220803 
1 1 1 29  6  5  o 11.96083 5.850278  ?              ?        
1 1 1 29  6  6  x ?        ?         ?              ?        
1 1 1 29  7  0  f 12.89048 4.064465  -0.6609993     8.128929 
1 1 1 29  7  1  o 28.72092 3.640532  -29.36278      7.281064 
1 1 1 29  7  2  o 20.43404 5.347487  -12.85210      10.69497 
1 1 1 29  7  3  o 21.47499 5.026242  -10.43583      10.05248 
1 1 1 29  7  4  o 15.05210 4.296793  -0.7168770E-01 8.593586 
1 1 1 29  7  5  o 14.98539 7.059481  ?              ?        
1 1 1 29  8  0  o 34.02398 3.763745  -35.06844      7.527490 
1 1 1 29  8  1  o 55.63876 3.666946  ?              ?        
1 1 1 29  8  2  o 28.12803 4.037656  -22.40238      8.075312 
1 1 1 29  8  3  o 16.93750 5.034077  -1.673473      10.06815 
1 1 1 29  8  4  o 28.65798 3.936536  -32.04363      7.873072 
1 1 1 29  8  5  o 18.01958 7.956224  ?              ?        
1 1 1 29  9  0  o 14.47295 4.418209  -3.939132      8.836417 
1 1 1 29  9  1  o 27.60283 4.546652  -8.346163      9.093304 
1 1 1 29  9  2  o 18.17582 7.060075  ?              ?        
1 1 1 29  9  3  o 31.80733 3.883714  -30.20370      7.767428 
1 1 1 29  9  4  o 56.71374 5.676826  ?              ?        
1 1 1 29  10 0  o 14.51327 4.419337  -2.029620      8.838674 
1 1 1 29  10 1  o 18.91115 4.532434  -13.95543      9.064869 
1 1 1 29  10 2  o 11.17783 3.740597  -3.437608      7.481195 
1 1 1 29  11 0  o 26.44128 3.916092  -25.56922      7.832184 
1 1 1 29  11 1  o 21.35966 4.027204  -20.26361      8.054407 
1 1 1 30  0  0  o 9.436462 6.558846  -0.000000      0.000000 
1 1 1 30  0  1  o 26.01051 6.083289  -0.000000      0.000000 
1 1 1 30  0  2  o 11.47600 6.619926  -0.000000      0.000000 
1 1 1 30  0  3  o 9.045228 5.786798  -0.000000      0.000000 
1 1 1 30  0  4  x ?        ?         ?              ?        
1 1 1 30  0  5  x ?        ?         ?              ?        
1 1 1 30  1  0  o 23.50497 5.644313  7.336987       11.28863 
1 1 1 30  1  1  o 18.26062 4.534484  -3.564959      9.068968 
1 1 1 30  1  2  o 19.43220 4.127984  -5.806709      8.255967 
1 1 1 30  1  3  o 27.30468 3.601834  4.454668       7.203667 
1 1 1 30  1  4  x ?        ?         ?              ?        
1 1 1 30  1  5  x ?        ?         ?              ?        
1 1 1 30  2  0  o 21.66324 4.480866  -11.25560      8.961733 
1 1 1 30  2  1  f 15.77749 4.383822  -9.357512      8.767644 
1 1 1 30  2  2  f 18.15789 3.579707  -16.05653      7.159415 
1 1 1 30  2  3  o 12.54027 3.548465  6.020188       7.096931 
1 1 1 30  2  4  x ?        ?         ?              ?        
1 1 1 30  2  5  x ?        ?         ?              ?        
1 1 1 30  3  0  o 17.97512 4.681596  -5.317348      9.363192 
1 1 1 30  3  1  o 11.86684 3.891603  -3.969435      7.783206 
1 1 1 30  3  2  o 9.108185 4.411418  ?              ?        
1 1 1 30  3  3  o 12.61363 3.853724  -1.572936      7.707447 
1 1 1 30  3  4  x ?        ?         ?              ?        
1 1 1 30  4  0  o 16.07449 4.865670  3.746177       9.731339 
1 1 1 30  4  1  o 21.46747 5.168067  -5.138643      10.33613 
1 1 1 30  4  2  o 11.15861 3.627784  2.681806       7.255569 
1 1 1 30  4  3  f 14.73324 4.199152  -0.8929749     8.398303 
1 1 1 30  4  4  x ?        ?         ?              ?        
1 1 1 30  5  0  o 15.90390 4.369849  -4.248486      8.739698 
1 1 1 30  5  1  o 17.75351 4.517815  0.2981033      9.035629 
1 1 1 30  5  2  f 9.864708 4.708249  ?              ?        
1 1 1 30  5  3  o 9.856784 3.317680  1.523361       6.635360 
1 1 1 30  5  4  x ?        ?         ?              ?        
1 1 1 30  6  0  o 22.05241 4.786485  3.549471       9.572969 
1 1 1 30  6  1  o 23.57582 6.896745  ?              ?        
1 1 1 30  6  2  o 22.58898 5.065478  5.059708       10.13096 
1 1 1 30  6  3  o 11.02134 3.704278  -4.718921      7.408556 
1 1 1 30  7  0  o 23.46074 4.665402  -13.49217      9.330805 
1 1 1 30  7  1  o 16.43814 6.834181  ?              ?        
1 1 1 30  7  2  o 14.32876 4.319457  -8.274283      8.638914 
1 1 1 30  8  0  o 15.99665 4.699831  -4.535229      9.399663 
1 1 1 30  8  1  o 21.86552 4.024515  -21.82415      8.049029 
1 1 1 30  9  0  o 17.75969 4.527848  -13.43216      9.055696 
1 1 1 31  0  0  f 10.22225 6.331934  -0.000000      0.000000 
1 1 1 31  0  1  o 14.37512 6.939235  -0.000000      0.000000 
1 1 1 31  0  2  o 6.708857 4.756735  -0.000000      0.000000 
1 1 1 31  1  0  o 11.95605 3.572763  6.545239       7.145526 
1 1 1 31  1  1  f 19.77583 4.222156  11.77505       8.444312 
1 1 1 31  1  2  o 11.77874 3.814476  0.3417301E-01  7.628952 
1 1 1 31  2  0  o 16.42114 3.948088  7.958273       7.896177 
1 1 1 31  2  1  o 20.26506 4.732791  0.6594696      9.465583 
1 1 1 31  3  0  o 25.15822 3.964554  -12.56577      7.929108 
1 1 1 31  3  1  o 21.13101 4.202109  -4.825788      8.404218 
1 1 1 31  4  0  o 10.06498 3.321671  2.293403       6.643343 
1 1 1 31  4  1  o 10.98182 5.072917  ?              ?        
1 1 1 31  5  0  o 18.29578 4.588050  -1.218777      9.176101 
# 
#END OF REFLECTIONS
