data_r5lyusf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-01-25 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5lyu 
_cell.length_a      45.7900 
_cell.length_b      47.7800 
_cell.length_c      68.6700 
_cell.angle_alpha   90.0000 
_cell.angle_beta    99.0500 
_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   0.9797 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.201 
_diffrn_reflns.pdbx_d_res_low    28.317 
_diffrn_reflns.limit_h_max       20 
_diffrn_reflns.limit_h_min       -20 
_diffrn_reflns.limit_k_max       21 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       29 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            13139 
_diffrn_reflns.pdbx_number_obs   13139 
# 
_entry.id   5lyu 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5lyu 
_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 -20 0  1  o 11.75000 3.784000  -0.000000      0.000000  
1 1 1 -20 0  2  o 18.19000 2.550000  -0.000000      0.000000  
1 1 1 -20 0  3  o 7.795000 4.064000  -0.000000      0.000000  
1 1 1 -20 0  4  o 5.482000 3.479000  -0.000000      0.000000  
1 1 1 -20 0  5  o 5.119000 3.344000  0.000000       0.000000  
1 1 1 -20 0  6  o 5.230000 3.418000  0.000000       0.000000  
1 1 1 -20 0  7  o 5.599000 3.555000  0.000000       0.000000  
1 1 1 -20 0  8  o 3.899000 2.767000  0.000000       0.000000  
1 1 1 -20 0  9  o 6.223000 3.785000  0.000000       0.000000  
1 1 1 -20 0  10 o 4.413000 3.046000  -0.000000      0.000000  
1 1 1 -20 0  11 o 4.827000 3.247000  0.000000       0.000000  
1 1 1 -20 0  12 o 4.444000 3.058000  -0.000000      0.000000  
1 1 1 -20 0  13 o 5.916000 3.726000  -0.000000      0.000000  
1 1 1 -20 1  1  o 9.795000 2.382000  -1.806000      4.765000  
1 1 1 -20 1  2  o 9.841000 2.254000  -6.370000      4.507000  
1 1 1 -20 1  3  o 21.38000 1.435000  2.696000       2.871000  
1 1 1 -20 1  4  o 12.71000 2.258000  2.770000       4.516000  
1 1 1 -20 1  5  o 29.92000 1.051000  1.252000       2.101000  
1 1 1 -20 1  6  o 12.01000 2.369000  -4.889000      4.738000  
1 1 1 -20 1  7  o 5.418000 1.856000  0.3754000      3.712000  
1 1 1 -20 1  8  o 11.73000 2.488000  -1.597000      4.975000  
1 1 1 -20 1  9  o 6.641000 2.132000  -2.374000      4.263000  
1 1 1 -20 1  10 o 8.308000 2.362000  -2.669000      4.725000  
1 1 1 -20 1  11 o 7.332000 2.285000  0.3971000      4.570000  
1 1 1 -20 1  12 o 5.786000 1.945000  2.254000       3.890000  
1 1 1 -20 1  13 o 7.404000 2.343000  1.041000       4.686000  
1 1 1 -20 2  1  o 9.484000 2.371000  -3.773000      4.743000  
1 1 1 -20 2  2  o 9.452000 2.421000  -0.9408000     4.841000  
1 1 1 -20 2  3  o 6.535000 2.097000  -0.5218000     4.194000  
1 1 1 -20 2  4  o 7.388000 2.219000  1.488000       4.438000  
1 1 1 -20 2  5  o 12.11000 2.353000  1.233000       4.707000  
1 1 1 -20 2  6  o 6.530000 2.082000  -2.858000      4.164000  
1 1 1 -20 2  7  f 9.322000 2.485000  0.5714000      4.970000  
1 1 1 -20 2  8  o 5.125000 1.780000  0.2031000      3.560000  
1 1 1 -20 2  9  o 4.995000 1.746000  -0.2819000     3.493000  
1 1 1 -20 2  10 o 6.849000 2.165000  2.503000       4.330000  
1 1 1 -20 2  11 o 8.705000 2.727000  -1.942000      5.454000  
1 1 1 -20 2  12 o 5.792000 2.039000  0.5615000      4.079000  
1 1 1 -20 3  1  o 6.156000 2.006000  -0.6701000     4.013000  
1 1 1 -20 3  2  o 6.062000 2.001000  0.9324000      4.002000  
1 1 1 -20 3  3  o 10.62000 2.376000  4.166000       4.752000  
1 1 1 -20 3  4  o 15.80000 1.953000  -5.051000      3.905000  
1 1 1 -20 3  5  o 6.608000 2.089000  0.2780000      4.178000  
1 1 1 -20 3  6  o 7.936000 2.445000  -0.5564000     4.891000  
1 1 1 -20 3  7  o 5.778000 2.034000  1.139000       4.068000  
1 1 1 -20 3  8  o 7.677000 2.505000  -0.5747000     5.010000  
1 1 1 -20 3  9  o 6.712000 2.310000  -0.5377000     4.621000  
1 1 1 -20 3  10 o 6.568000 2.253000  0.4339000      4.505000  
1 1 1 -20 3  11 o 5.449000 1.943000  -0.6847000     3.885000  
1 1 1 -20 3  12 o 7.497000 3.623000  ?              ?         
1 1 1 -20 4  1  o 6.300000 2.186000  1.539000       4.371000  
1 1 1 -20 4  2  o 7.037000 2.363000  3.704000       4.725000  
1 1 1 -20 4  3  o 17.97000 2.678000  -0.2996000     5.357000  
1 1 1 -20 4  4  o 16.71000 2.657000  -6.879000      5.313000  
1 1 1 -20 4  5  o 6.978000 2.349000  -1.774000      4.698000  
1 1 1 -20 4  6  o 6.960000 2.373000  0.2156000      4.745000  
1 1 1 -20 4  7  o 6.152000 2.145000  -0.5066000E-01 4.290000  
1 1 1 -20 4  8  f 6.724000 2.304000  0.1813000      4.608000  
1 1 1 -20 4  9  o 5.579000 1.984000  -0.9871000E-04 3.968000  
1 1 1 -20 4  10 o 5.232000 1.876000  0.2169000      3.752000  
1 1 1 -20 5  1  o 8.613000 3.844000  ?              ?         
1 1 1 -20 5  2  o 5.395000 1.914000  -1.989000      3.827000  
1 1 1 -20 5  3  o 8.523000 2.645000  1.653000       5.291000  
1 1 1 -20 5  4  o 8.332000 2.565000  -4.440000      5.131000  
1 1 1 -20 5  5  o 13.94000 2.746000  -9.609000      5.492000  
1 1 1 -20 5  6  o 7.489000 2.458000  -1.391000      4.916000  
1 1 1 -20 5  7  o 7.384000 2.475000  0.1742000E-01  4.949000  
1 1 1 -20 5  8  o 17.25000 2.838000  -0.3613000     5.676000  
1 1 1 -20 5  9  o 5.846000 2.068000  1.078000       4.136000  
1 1 1 -19 0  1  o 30.56000 1.303000  -0.000000      0.000000  
1 1 1 -19 0  2  o 15.48000 2.729000  0.000000       0.000000  
1 1 1 -19 0  3  o 15.46000 2.798000  -0.000000      0.000000  
1 1 1 -19 0  4  o 19.41000 2.298000  0.000000       0.000000  
1 1 1 -19 0  5  o 11.06000 4.156000  0.000000       0.000000  
1 1 1 -19 0  6  o 5.493000 3.486000  0.000000       0.000000  
1 1 1 -19 0  7  f 5.769000 3.606000  -0.000000      0.000000  
1 1 1 -19 0  8  o 6.587000 3.872000  -0.000000      0.000000  
1 1 1 -19 0  9  o 6.093000 3.726000  0.000000       0.000000  
1 1 1 -19 0  10 o 4.603000 3.139000  0.000000       0.000000  
1 1 1 -19 0  11 o 10.67000 4.330000  -0.000000      0.000000  
1 1 1 -19 0  12 o 4.747000 3.200000  0.000000       0.000000  
1 1 1 -19 0  13 o 6.292000 3.837000  0.000000       0.000000  
1 1 1 -19 0  14 o 3.950000 2.802000  0.000000       0.000000  
1 1 1 -19 0  15 o 5.862000 3.732000  -0.000000      0.000000  
1 1 1 -19 0  16 o 6.095000 3.814000  0.000000       0.000000  
1 1 1 -19 1  1  o 12.97000 2.081000  -6.133000      4.162000  
1 1 1 -19 1  2  o 7.194000 2.027000  -4.712000      4.054000  
1 1 1 -19 1  3  o 6.184000 1.995000  -0.7969000     3.990000  
1 1 1 -19 1  4  o 14.57000 2.082000  1.237000       4.164000  
1 1 1 -19 1  5  f 16.98000 1.890000  5.426000       3.780000  
1 1 1 -19 1  6  o 8.595000 2.295000  -4.081000      4.590000  
1 1 1 -19 1  7  o 10.43000 2.315000  5.461000       4.631000  
1 1 1 -19 1  8  o 7.608000 2.186000  -4.847000      4.371000  
1 1 1 -19 1  9  o 6.971000 2.204000  0.8334000      4.407000  
1 1 1 -19 1  10 o 8.359000 2.287000  -4.399000      4.573000  
1 1 1 -19 1  11 o 6.682000 2.082000  -3.768000      4.164000  
1 1 1 -19 1  12 o 6.670000 2.142000  -1.061000      4.284000  
1 1 1 -19 1  13 o 5.925000 1.970000  2.689000       3.939000  
1 1 1 -19 1  14 o 9.685000 2.558000  -0.3691000     5.117000  
1 1 1 -19 1  15 o 5.956000 2.000000  -2.358000      4.000000  
1 1 1 -19 1  16 o 6.374000 2.095000  -2.923000      4.189000  
1 1 1 -19 2  1  o 19.49000 1.492000  -0.5344000     2.983000  
1 1 1 -19 2  2  o 8.980000 2.320000  -2.480000      4.640000  
1 1 1 -19 2  3  o 8.063000 2.214000  3.988000       4.428000  
1 1 1 -19 2  4  o 7.007000 2.134000  -1.757000      4.267000  
1 1 1 -19 2  5  o 10.87000 2.359000  -2.772000      4.719000  
1 1 1 -19 2  6  o 15.41000 2.079000  4.741000       4.158000  
1 1 1 -19 2  7  o 13.45000 2.319000  0.6085000      4.637000  
1 1 1 -19 2  8  o 8.303000 2.357000  0.7802000      4.713000  
1 1 1 -19 2  9  o 7.467000 2.217000  -2.994000      4.434000  
1 1 1 -19 2  10 o 6.935000 2.186000  -0.5967000     4.372000  
1 1 1 -19 2  11 o 9.605000 2.408000  -2.551000      4.817000  
1 1 1 -19 2  12 o 7.192000 2.190000  3.450000       4.379000  
1 1 1 -19 2  13 o 6.622000 2.107000  2.670000       4.215000  
1 1 1 -19 2  14 o 10.08000 2.482000  -3.018000      4.965000  
1 1 1 -19 2  15 o 7.013000 2.245000  1.221000       4.489000  
1 1 1 -19 2  16 o 5.780000 2.020000  -0.1360000     4.039000  
1 1 1 -19 3  1  o 19.77000 1.470000  -0.7039000     2.940000  
1 1 1 -19 3  2  o 7.554000 2.066000  -4.958000      4.133000  
1 1 1 -19 3  3  o 9.488000 2.379000  0.3654000      4.758000  
1 1 1 -19 3  4  o 7.982000 2.290000  0.8521000      4.581000  
1 1 1 -19 3  5  o 12.06000 2.282000  1.246000       4.564000  
1 1 1 -19 3  6  o 15.42000 2.732000  ?              ?         
1 1 1 -19 3  7  o 23.51000 1.302000  0.7218000      2.605000  
1 1 1 -19 3  8  o 10.86000 2.331000  4.654000       4.661000  
1 1 1 -19 3  9  o 9.561000 2.464000  -0.6958000E-01 4.928000  
1 1 1 -19 3  10 o 9.070000 2.386000  -2.426000      4.773000  
1 1 1 -19 3  11 o 12.99000 2.402000  -1.825000      4.804000  
1 1 1 -19 3  12 o 6.623000 2.186000  0.2556000      4.373000  
1 1 1 -19 3  13 o 6.970000 2.369000  1.395000       4.738000  
1 1 1 -19 3  14 f 6.975000 2.361000  -2.447000      4.721000  
1 1 1 -19 3  15 o 9.116000 2.861000  2.430000       5.722000  
1 1 1 -19 3  16 o 8.393000 2.727000  -0.9342000     5.454000  
1 1 1 -19 4  1  o 6.150000 1.983000  -0.5850000     3.965000  
1 1 1 -19 4  2  o 17.91000 1.621000  3.142000       3.243000  
1 1 1 -19 4  3  o 13.68000 2.200000  -1.187000      4.401000  
1 1 1 -19 4  4  o 6.735000 2.126000  0.4449000      4.252000  
1 1 1 -19 4  5  o 5.234000 1.794000  0.7415000      3.588000  
1 1 1 -19 4  6  o 6.017000 1.974000  -0.5096000     3.948000  
1 1 1 -19 4  7  o 5.934000 1.970000  0.4616000      3.939000  
1 1 1 -19 4  8  o 7.673000 2.460000  -0.4755000     4.919000  
1 1 1 -19 4  9  o 6.380000 2.211000  -0.7087000E-01 4.422000  
1 1 1 -19 4  10 o 8.330000 2.588000  -2.982000      5.176000  
1 1 1 -19 4  11 o 7.408000 2.419000  1.392000       4.837000  
1 1 1 -19 4  12 o 9.224000 2.827000  -1.111000      5.654000  
1 1 1 -19 4  13 o 8.113000 2.579000  -3.499000      5.159000  
1 1 1 -19 4  14 o 8.396000 2.717000  -1.726000      5.434000  
1 1 1 -19 4  15 f 5.361000 1.918000  -0.1738000     3.836000  
1 1 1 -19 5  1  o 6.499000 2.048000  1.370000       4.096000  
1 1 1 -19 5  2  o 7.530000 2.335000  -0.7317000     4.670000  
1 1 1 -19 5  3  o 6.404000 2.202000  0.3546000E-01  4.403000  
1 1 1 -19 5  4  o 5.408000 1.909000  -0.2744000     3.818000  
1 1 1 -19 5  5  o 9.568000 2.836000  1.283000       5.672000  
1 1 1 -19 5  6  o 7.337000 2.434000  0.2366000      4.867000  
1 1 1 -19 5  7  f 6.468000 2.238000  1.061000       4.477000  
1 1 1 -19 5  8  o 11.50000 2.724000  7.810000       5.447000  
1 1 1 -19 5  9  o 7.428000 2.454000  -2.018000      4.907000  
1 1 1 -19 5  10 o 7.562000 2.479000  3.739000       4.957000  
1 1 1 -19 5  11 o 9.344000 2.808000  -3.096000      5.616000  
1 1 1 -19 5  12 o 5.393000 1.929000  1.016000       3.858000  
1 1 1 -19 5  13 o 9.335000 2.880000  2.866000       5.760000  
1 1 1 -19 5  14 o 5.693000 2.025000  -0.5930000     4.050000  
1 1 1 -19 6  1  o 18.49000 3.150000  ?              ?         
1 1 1 -19 6  2  f 9.774000 2.612000  -5.035000      5.224000  
1 1 1 -19 6  3  o 8.563000 2.641000  -1.668000      5.283000  
1 1 1 -19 6  4  o 8.110000 2.593000  -0.5570000     5.186000  
1 1 1 -19 6  5  o 8.015000 2.541000  3.451000       5.082000  
1 1 1 -19 6  6  o 5.767000 2.031000  1.334000       4.063000  
1 1 1 -19 6  7  o 6.707000 2.293000  -0.8990000     4.586000  
1 1 1 -19 6  8  o 8.817000 2.478000  -5.898000      4.956000  
1 1 1 -19 6  9  o 6.439000 2.239000  1.812000       4.478000  
1 1 1 -19 6  10 o 7.950000 2.570000  1.483000       5.140000  
1 1 1 -19 6  11 o 10.29000 2.615000  -7.295000      5.229000  
1 1 1 -19 6  12 o 7.789000 2.523000  -3.617000      5.045000  
1 1 1 -19 6  13 o 5.920000 2.107000  2.254000       4.214000  
1 1 1 -18 0  1  o 37.22000 1.125000  -0.000000      0.000000  
1 1 1 -18 0  2  o 16.73000 2.449000  0.000000       0.000000  
1 1 1 -18 0  3  o 21.45000 1.851000  -0.000000      0.000000  
1 1 1 -18 0  4  o 2.946000 2.150000  0.000000       0.000000  
1 1 1 -18 0  5  f 13.74000 3.211000  0.000000       0.000000  
1 1 1 -18 0  6  o 34.01000 1.318000  -0.000000      0.000000  
1 1 1 -18 0  7  o 29.58000 1.506000  -0.000000      0.000000  
1 1 1 -18 0  8  o 14.38000 3.320000  0.000000       0.000000  
1 1 1 -18 0  9  o 10.97000 4.054000  0.000000       0.000000  
1 1 1 -18 0  10 o 5.342000 3.413000  0.000000       0.000000  
1 1 1 -18 0  11 o 8.581000 4.201000  0.000000       0.000000  
1 1 1 -18 0  12 o 3.535000 2.538000  -0.000000      0.000000  
1 1 1 -18 0  13 o 5.595000 3.555000  -0.000000      0.000000  
1 1 1 -18 0  14 o 7.719000 4.198000  -0.000000      0.000000  
1 1 1 -18 0  15 o 5.332000 3.477000  -0.000000      0.000000  
1 1 1 -18 0  16 o 7.383000 4.181000  0.000000       0.000000  
1 1 1 -18 0  17 o 7.382000 4.143000  -0.000000      0.000000  
1 1 1 -18 0  18 o 5.194000 3.452000  0.000000       0.000000  
1 1 1 -18 0  19 o 4.818000 3.269000  -0.000000      0.000000  
1 1 1 -18 1  1  o 15.30000 1.881000  -7.662000      3.762000  
1 1 1 -18 1  2  o 5.470000 1.882000  -0.1618000     3.765000  
1 1 1 -18 1  3  o 8.820000 2.289000  1.343000       4.577000  
1 1 1 -18 1  4  o 16.13000 1.757000  -1.502000      3.513000  
1 1 1 -18 1  5  o 16.28000 1.759000  2.815000       3.517000  
1 1 1 -18 1  6  o 27.69000 1.108000  2.376000       2.216000  
1 1 1 -18 1  7  o 18.68000 1.643000  -6.569000      3.285000  
1 1 1 -18 1  8  o 7.295000 2.201000  1.099000       4.401000  
1 1 1 -18 1  9  o 12.21000 2.243000  -1.673000      4.485000  
1 1 1 -18 1  10 o 7.966000 2.281000  -0.3622000     4.561000  
1 1 1 -18 1  11 o 9.454000 2.228000  -6.135000      4.455000  
1 1 1 -18 1  12 o 9.583000 2.305000  -5.790000      4.611000  
1 1 1 -18 1  13 o 11.87000 2.468000  1.778000       4.936000  
1 1 1 -18 1  14 o 7.506000 2.296000  -1.816000      4.592000  
1 1 1 -18 1  15 o 9.298000 2.398000  -4.938000      4.795000  
1 1 1 -18 1  16 o 7.562000 2.292000  2.592000       4.584000  
1 1 1 -18 1  17 o 11.45000 2.343000  -6.603000      4.685000  
1 1 1 -18 1  18 o 5.842000 1.980000  1.938000       3.961000  
1 1 1 -18 1  19 f 7.246000 2.281000  0.5367000      4.562000  
1 1 1 -18 2  1  f 12.63000 2.126000  -0.5779000     4.251000  
1 1 1 -18 2  2  o 12.05000 2.117000  2.900000       4.234000  
1 1 1 -18 2  3  o 18.33000 1.561000  -4.389000      3.122000  
1 1 1 -18 2  4  o 13.08000 2.024000  -6.797000      4.048000  
1 1 1 -18 2  5  o 42.79000 0.7401000 -0.2550000     1.480000  
1 1 1 -18 2  6  o 17.79000 1.666000  -1.992000      3.332000  
1 1 1 -18 2  7  o 7.601000 2.233000  0.5864000      4.466000  
1 1 1 -18 2  8  o 14.19000 2.256000  9.062000       4.512000  
1 1 1 -18 2  9  o 12.72000 2.137000  6.305000       4.275000  
1 1 1 -18 2  10 o 13.15000 2.168000  -4.769000      4.335000  
1 1 1 -18 2  11 o 12.14000 2.427000  0.4195000      4.854000  
1 1 1 -18 2  12 o 9.905000 2.452000  -2.106000      4.903000  
1 1 1 -18 2  13 o 13.80000 2.147000  8.867000       4.295000  
1 1 1 -18 2  14 o 6.654000 2.158000  0.2420000      4.317000  
1 1 1 -18 2  15 o 6.603000 2.150000  -0.7301000     4.299000  
1 1 1 -18 2  16 o 6.067000 2.032000  1.283000       4.064000  
1 1 1 -18 2  17 o 9.146000 2.396000  4.123000       4.791000  
1 1 1 -18 2  18 o 5.809000 1.980000  -0.4300000     3.960000  
1 1 1 -18 2  19 o 4.759000 1.683000  0.5405000E-01  3.366000  
1 1 1 -18 3  1  o 14.88000 1.761000  -0.4052000     3.523000  
1 1 1 -18 3  2  o 5.475000 1.824000  -1.297000      3.647000  
1 1 1 -18 3  3  o 15.90000 1.777000  -0.1478000     3.554000  
1 1 1 -18 3  4  o 15.27000 1.772000  1.786000       3.543000  
1 1 1 -18 3  5  o 14.07000 1.990000  -0.5186000     3.980000  
1 1 1 -18 3  6  o 6.671000 2.061000  -2.705000      4.122000  
1 1 1 -18 3  7  f 7.875000 2.150000  4.574000       4.300000  
1 1 1 -18 3  8  o 7.831000 2.279000  -0.7804000     4.557000  
1 1 1 -18 3  9  o 6.877000 2.089000  -3.588000      4.177000  
1 1 1 -18 3  10 f 16.23000 2.032000  -8.714000      4.065000  
1 1 1 -18 3  11 o 11.71000 2.314000  -4.783000      4.627000  
1 1 1 -18 3  12 o 6.836000 2.183000  -0.6043000     4.365000  
1 1 1 -18 3  13 f 6.747000 2.149000  2.033000       4.299000  
1 1 1 -18 3  14 o 6.604000 2.119000  3.090000       4.238000  
1 1 1 -18 3  15 f 5.674000 1.935000  0.9367000      3.870000  
1 1 1 -18 3  16 o 10.03000 2.500000  -0.2966000E-01 5.001000  
1 1 1 -18 3  17 o 17.46000 1.941000  4.687000       3.883000  
1 1 1 -18 3  18 o 11.24000 3.062000  4.350000       6.124000  
1 1 1 -18 3  19 o 6.574000 2.287000  -2.370000      4.573000  
1 1 1 -18 4  1  o 20.86000 1.319000  -5.979000      2.637000  
1 1 1 -18 4  2  o 14.60000 1.838000  1.819000       3.677000  
1 1 1 -18 4  3  o 31.88000 0.8922000 -0.6896000E-01 1.784000  
1 1 1 -18 4  4  o 24.14000 1.171000  0.2285000E-01  2.343000  
1 1 1 -18 4  5  o 22.15000 1.265000  -0.2177000     2.530000  
1 1 1 -18 4  6  o 6.974000 2.122000  0.6098000      4.244000  
1 1 1 -18 4  7  o 20.95000 1.331000  -2.848000      2.661000  
1 1 1 -18 4  8  o 7.097000 2.136000  -0.8152000E-01 4.272000  
1 1 1 -18 4  9  o 12.51000 2.156000  5.418000       4.313000  
1 1 1 -18 4  10 o 9.388000 2.338000  -2.123000      4.675000  
1 1 1 -18 4  11 o 7.159000 2.104000  -3.333000      4.207000  
1 1 1 -18 4  12 o 17.28000 1.744000  4.127000       3.488000  
1 1 1 -18 4  13 o 8.514000 2.369000  1.949000       4.738000  
1 1 1 -18 4  14 o 6.628000 2.292000  1.685000       4.584000  
1 1 1 -18 4  15 o 8.063000 2.619000  -1.586000      5.238000  
1 1 1 -18 4  16 o 10.50000 2.967000  4.629000       5.934000  
1 1 1 -18 4  17 o 7.145000 2.454000  3.121000       4.907000  
1 1 1 -18 4  18 o 5.438000 1.962000  1.405000       3.923000  
1 1 1 -18 5  1  o 8.122000 2.252000  -1.499000      4.504000  
1 1 1 -18 5  2  o 11.46000 2.166000  2.340000       4.332000  
1 1 1 -18 5  3  o 12.99000 1.945000  6.507000       3.890000  
1 1 1 -18 5  4  o 6.746000 2.045000  0.3807000      4.090000  
1 1 1 -18 5  5  o 7.023000 2.058000  1.974000       4.116000  
1 1 1 -18 5  6  f 7.470000 2.092000  -0.9377000     4.183000  
1 1 1 -18 5  7  o 4.946000 1.686000  0.6412000      3.372000  
1 1 1 -18 5  8  o 10.71000 2.124000  5.154000       4.249000  
1 1 1 -18 5  9  o 6.832000 2.319000  4.202000       4.639000  
1 1 1 -18 5  10 o 7.752000 2.572000  1.716000       5.144000  
1 1 1 -18 5  11 o 10.41000 2.724000  -5.554000      5.449000  
1 1 1 -18 5  12 o 7.387000 2.467000  -0.7495000     4.935000  
1 1 1 -18 5  13 o 12.29000 2.964000  -4.280000      5.928000  
1 1 1 -18 5  14 o 9.481000 2.926000  0.6132000      5.851000  
1 1 1 -18 5  15 o 9.020000 2.792000  -1.634000      5.585000  
1 1 1 -18 5  16 o 7.056000 2.401000  -0.6885000     4.802000  
1 1 1 -18 5  17 o 12.73000 3.287000  1.071000       6.575000  
1 1 1 -18 6  1  o 20.51000 1.316000  2.883000       2.632000  
1 1 1 -18 6  2  o 16.02000 1.579000  2.731000       3.158000  
1 1 1 -18 6  3  o 8.141000 2.064000  -3.700000      4.128000  
1 1 1 -18 6  4  o 9.166000 2.593000  1.140000       5.186000  
1 1 1 -18 6  5  o 7.034000 2.346000  1.511000       4.692000  
1 1 1 -18 6  6  o 10.07000 2.761000  -3.314000      5.523000  
1 1 1 -18 6  7  o 12.27000 2.838000  3.846000       5.675000  
1 1 1 -18 6  8  o 12.79000 2.821000  -6.036000      5.642000  
1 1 1 -18 6  9  o 8.079000 2.621000  1.379000       5.242000  
1 1 1 -18 6  10 o 7.510000 2.466000  2.950000       4.932000  
1 1 1 -18 6  11 o 8.849000 2.718000  -1.931000      5.436000  
1 1 1 -18 6  12 o 6.075000 2.115000  0.2517000      4.229000  
1 1 1 -18 6  13 o 8.293000 2.695000  -0.7441000     5.391000  
1 1 1 -18 6  14 o 8.525000 2.694000  -2.159000      5.388000  
1 1 1 -18 6  15 o 6.294000 2.208000  1.573000       4.415000  
1 1 1 -18 6  16 o 7.259000 2.480000  0.4759000      4.961000  
1 1 1 -18 7  1  o 12.17000 2.569000  -8.770000      5.138000  
1 1 1 -18 7  2  o 6.284000 2.161000  1.091000       4.321000  
1 1 1 -18 7  3  o 7.419000 2.431000  1.858000       4.862000  
1 1 1 -18 7  4  o 7.734000 2.472000  1.592000       4.943000  
1 1 1 -18 7  5  o 9.044000 2.691000  -2.402000      5.382000  
1 1 1 -18 7  7  o 11.98000 2.926000  4.124000       5.851000  
1 1 1 -18 7  8  o 8.376000 2.628000  1.923000       5.256000  
1 1 1 -18 7  9  o 8.940000 2.663000  -3.204000      5.326000  
1 1 1 -18 7  10 o 9.654000 2.757000  3.689000       5.514000  
1 1 1 -18 7  11 o 8.063000 2.605000  1.192000       5.210000  
1 1 1 -18 7  12 o 8.628000 2.743000  1.962000       5.486000  
1 1 1 -18 7  13 o 10.32000 4.046000  ?              ?         
1 1 1 -17 0  1  o 17.49000 2.000000  -0.000000      0.000000  
1 1 1 -17 0  2  o 16.52000 2.350000  -0.000000      0.000000  
1 1 1 -17 0  3  f 13.99000 2.956000  -0.000000      0.000000  
1 1 1 -17 0  4  o 16.97000 2.216000  0.000000       0.000000  
1 1 1 -17 0  5  o 38.66000 1.041000  -0.000000      0.000000  
1 1 1 -17 0  6  o 7.488000 3.897000  -0.000000      0.000000  
1 1 1 -17 0  7  o 38.18000 1.064000  0.000000       0.000000  
1 1 1 -17 0  8  o 4.556000 3.017000  -0.000000      0.000000  
1 1 1 -17 0  9  o 15.25000 2.732000  -0.000000      0.000000  
1 1 1 -17 0  10 o 6.344000 3.716000  -0.000000      0.000000  
1 1 1 -17 0  11 f 16.17000 2.719000  -0.000000      0.000000  
1 1 1 -17 0  12 o 4.960000 3.261000  -0.000000      0.000000  
1 1 1 -17 0  13 o 12.52000 3.924000  0.000000       0.000000  
1 1 1 -17 0  14 o 44.03000 1.136000  0.000000       0.000000  
1 1 1 -17 0  15 o 14.22000 3.633000  -0.000000      0.000000  
1 1 1 -17 0  16 o 4.725000 3.217000  0.000000       0.000000  
1 1 1 -17 0  17 o 3.423000 2.484000  0.000000       0.000000  
1 1 1 -17 0  18 o 7.611000 4.194000  -0.000000      0.000000  
1 1 1 -17 0  19 o 4.967000 3.336000  0.000000       0.000000  
1 1 1 -17 0  20 o 6.803000 4.035000  -0.000000      0.000000  
1 1 1 -17 0  21 o 5.658000 3.939000  0.000000       0.000000  
1 1 1 -17 1  1  o 28.04000 0.9241000 -2.399000      1.848000  
1 1 1 -17 1  2  o 18.17000 1.440000  0.4187000      2.880000  
1 1 1 -17 1  3  o 10.17000 2.233000  -1.038000      4.467000  
1 1 1 -17 1  4  o 15.75000 1.660000  2.522000       3.321000  
1 1 1 -17 1  5  o 27.16000 0.9738000 1.598000       1.948000  
1 1 1 -17 1  6  o 16.52000 1.986000  -0.5070000E-01 3.971000  
1 1 1 -17 1  7  o 9.426000 2.262000  0.5999000      4.525000  
1 1 1 -17 1  8  o 9.853000 2.142000  -4.285000      4.284000  
1 1 1 -17 1  9  o 9.734000 2.262000  0.9131000      4.524000  
1 1 1 -17 1  10 o 6.014000 1.951000  -1.289000      3.903000  
1 1 1 -17 1  11 o 6.259000 2.011000  0.3196000      4.022000  
1 1 1 -17 1  12 o 14.35000 2.075000  1.129000       4.149000  
1 1 1 -17 1  13 o 6.846000 2.145000  -0.4638000     4.291000  
1 1 1 -17 1  14 o 16.97000 1.858000  2.700000       3.716000  
1 1 1 -17 1  15 o 22.18000 1.483000  1.644000       2.966000  
1 1 1 -17 1  16 o 5.773000 1.949000  1.183000       3.898000  
1 1 1 -17 1  17 o 5.935000 1.988000  2.110000       3.975000  
1 1 1 -17 1  18 o 6.431000 2.110000  -1.505000      4.219000  
1 1 1 -17 1  19 o 6.341000 2.097000  -1.029000      4.193000  
1 1 1 -17 1  20 o 8.322000 2.636000  2.042000       5.272000  
1 1 1 -17 1  21 o 7.491000 2.473000  3.625000       4.947000  
1 1 1 -17 2  1  o 23.92000 1.028000  -1.939000      2.056000  
1 1 1 -17 2  2  o 8.445000 2.141000  -3.553000      4.283000  
1 1 1 -17 2  3  o 14.85000 1.778000  -2.399000      3.556000  
1 1 1 -17 2  4  o 21.46000 1.224000  -5.225000      2.448000  
1 1 1 -17 2  5  o 38.51000 0.7288000 1.166000       1.458000  
1 1 1 -17 2  6  o 24.13000 1.054000  -0.3608000     2.108000  
1 1 1 -17 2  7  o 6.611000 1.997000  -2.077000      3.994000  
1 1 1 -17 2  8  o 19.38000 1.347000  1.909000       2.694000  
1 1 1 -17 2  9  o 4.736000 1.641000  0.9720000      3.281000  
1 1 1 -17 2  10 o 28.25000 0.9897000 1.040000       1.979000  
1 1 1 -17 2  11 o 8.160000 2.251000  -1.540000      4.502000  
1 1 1 -17 2  12 o 19.88000 1.470000  -1.458000      2.940000  
1 1 1 -17 2  13 o 14.26000 2.129000  -2.344000      4.259000  
1 1 1 -17 2  14 o 9.620000 2.359000  -3.516000      4.719000  
1 1 1 -17 2  15 o 11.40000 2.369000  -5.393000      4.738000  
1 1 1 -17 2  16 o 7.376000 2.237000  2.633000       4.474000  
1 1 1 -17 2  17 o 7.415000 2.288000  -2.002000      4.577000  
1 1 1 -17 2  18 o 6.987000 2.179000  -2.609000      4.358000  
1 1 1 -17 2  19 o 6.852000 2.165000  -1.873000      4.331000  
1 1 1 -17 2  20 o 6.510000 2.189000  0.8482000      4.378000  
1 1 1 -17 2  21 o 6.364000 2.144000  0.6906000      4.288000  
1 1 1 -17 3  1  o 17.42000 1.438000  1.121000       2.877000  
1 1 1 -17 3  2  o 13.94000 1.783000  1.050000       3.565000  
1 1 1 -17 3  3  o 10.35000 2.071000  -3.237000      4.143000  
1 1 1 -17 3  4  o 13.67000 1.814000  1.651000       3.627000  
1 1 1 -17 3  5  o 7.437000 2.052000  -2.611000      4.104000  
1 1 1 -17 3  6  o 14.68000 1.663000  -3.334000      3.326000  
1 1 1 -17 3  7  o 16.79000 1.426000  0.1254000      2.852000  
1 1 1 -17 3  8  o 5.331000 1.774000  -1.890000      3.548000  
1 1 1 -17 3  9  o 4.941000 1.681000  0.3611000E-01  3.361000  
1 1 1 -17 3  10 o 7.106000 2.091000  0.4301000      4.182000  
1 1 1 -17 3  11 o 8.080000 2.158000  -2.809000      4.316000  
1 1 1 -17 3  12 o 7.770000 2.227000  1.125000       4.453000  
1 1 1 -17 3  13 o 10.34000 2.138000  -6.797000      4.277000  
1 1 1 -17 3  14 o 10.34000 2.328000  -4.273000      4.655000  
1 1 1 -17 3  15 o 12.09000 2.488000  -0.4105000     4.975000  
1 1 1 -17 3  16 o 7.243000 2.260000  0.2091000      4.520000  
1 1 1 -17 3  17 o 8.602000 2.240000  -5.477000      4.481000  
1 1 1 -17 3  18 o 5.307000 1.887000  2.080000       3.775000  
1 1 1 -17 3  19 o 9.470000 2.621000  -0.1013000     5.243000  
1 1 1 -17 3  20 o 7.661000 2.419000  0.4440000      4.837000  
1 1 1 -17 3  21 o 5.193000 1.827000  0.8133000E-01  3.653000  
1 1 1 -17 4  1  o 6.703000 2.014000  0.2689000      4.028000  
1 1 1 -17 4  2  o 17.63000 1.317000  -2.468000      2.634000  
1 1 1 -17 4  3  o 16.19000 1.564000  4.754000       3.128000  
1 1 1 -17 4  4  o 10.05000 2.116000  2.380000       4.233000  
1 1 1 -17 4  5  o 5.877000 1.852000  2.051000       3.704000  
1 1 1 -17 4  6  o 17.88000 1.325000  2.354000       2.649000  
1 1 1 -17 4  7  o 10.81000 2.110000  1.912000       4.220000  
1 1 1 -17 4  8  o 8.452000 2.172000  -1.925000      4.345000  
1 1 1 -17 4  9  o 10.11000 2.082000  4.967000       4.164000  
1 1 1 -17 4  10 o 7.927000 2.091000  -3.413000      4.181000  
1 1 1 -17 4  11 o 14.21000 1.842000  2.229000       3.685000  
1 1 1 -17 4  12 o 23.66000 1.133000  0.3856000      2.265000  
1 1 1 -17 4  13 o 6.178000 1.987000  1.570000       3.974000  
1 1 1 -17 4  14 o 24.25000 1.617000  -1.047000      3.234000  
1 1 1 -17 4  15 o 6.646000 2.064000  -3.129000      4.127000  
1 1 1 -17 4  16 o 9.710000 2.336000  -4.882000      4.672000  
1 1 1 -17 4  17 o 6.054000 2.159000  4.464000       4.318000  
1 1 1 -17 4  18 o 7.031000 2.296000  1.093000       4.592000  
1 1 1 -17 4  19 o 9.401000 2.723000  -5.105000      5.446000  
1 1 1 -17 4  20 o 7.346000 2.475000  -0.2320000     4.950000  
1 1 1 -17 5  1  o 9.353000 2.129000  -2.585000      4.258000  
1 1 1 -17 5  2  o 6.526000 1.915000  2.290000       3.830000  
1 1 1 -17 5  3  o 5.472000 1.737000  2.707000       3.473000  
1 1 1 -17 5  4  o 9.983000 1.853000  -6.233000      3.706000  
1 1 1 -17 5  5  o 6.368000 1.939000  -0.6794000     3.877000  
1 1 1 -17 5  6  o 9.264000 2.091000  -0.4945000     4.182000  
1 1 1 -17 5  7  o 11.66000 1.942000  2.109000       3.884000  
1 1 1 -17 5  8  o 15.53000 1.554000  1.351000       3.108000  
1 1 1 -17 5  9  o 7.925000 2.081000  3.138000       4.161000  
1 1 1 -17 5  10 o 12.13000 1.954000  -5.955000      3.907000  
1 1 1 -17 5  11 o 6.305000 1.897000  2.980000       3.793000  
1 1 1 -17 5  12 o 9.051000 2.257000  1.844000       4.514000  
1 1 1 -17 5  13 o 5.279000 1.774000  -0.5937000     3.548000  
1 1 1 -17 5  14 o 7.953000 2.223000  -2.597000      4.447000  
1 1 1 -17 5  15 o 6.847000 2.325000  1.187000       4.650000  
1 1 1 -17 5  16 o 6.669000 2.289000  0.8522000      4.578000  
1 1 1 -17 5  17 o 7.795000 2.567000  1.504000       5.134000  
1 1 1 -17 5  18 o 9.058000 2.817000  1.408000       5.634000  
1 1 1 -17 5  19 o 6.633000 2.305000  1.036000       4.611000  
1 1 1 -17 5  20 o 7.561000 2.553000  -0.1559000     5.106000  
1 1 1 -17 6  1  o 9.518000 1.872000  -6.389000      3.743000  
1 1 1 -17 6  2  o 18.46000 1.225000  1.080000       2.450000  
1 1 1 -17 6  3  o 22.66000 0.9951000 3.506000       1.990000  
1 1 1 -17 6  4  o 11.34000 1.828000  -5.483000      3.656000  
1 1 1 -17 6  5  o 13.60000 1.657000  -0.1270000E-01 3.314000  
1 1 1 -17 6  6  o 17.36000 1.382000  -3.783000      2.765000  
1 1 1 -17 6  7  o 8.521000 2.390000  1.463000       4.780000  
1 1 1 -17 6  8  o 10.21000 2.586000  0.6511000      5.173000  
1 1 1 -17 6  9  o 22.79000 1.698000  -3.615000      3.397000  
1 1 1 -17 6  10 o 7.698000 2.331000  0.5577000      4.662000  
1 1 1 -17 6  11 o 9.290000 2.744000  -1.022000      5.488000  
1 1 1 -17 6  12 o 8.767000 2.603000  -4.166000      5.205000  
1 1 1 -17 6  13 o 7.664000 2.536000  0.4796000      5.071000  
1 1 1 -17 6  14 o 8.245000 2.629000  -2.594000      5.258000  
1 1 1 -17 6  15 o 6.877000 2.362000  1.246000       4.724000  
1 1 1 -17 6  16 f 7.308000 2.487000  1.685000       4.975000  
1 1 1 -17 6  17 o 13.75000 3.258000  -0.7475000     6.516000  
1 1 1 -17 6  18 o 5.388000 2.699000  ?              ?         
1 1 1 -17 7  1  o 11.62000 1.872000  -1.789000      3.743000  
1 1 1 -17 7  2  o 11.00000 2.073000  0.7229000E-01  4.146000  
1 1 1 -17 7  3  o 7.345000 2.178000  -1.703000      4.356000  
1 1 1 -17 7  4  o 12.64000 2.477000  -0.3060000     4.955000  
1 1 1 -17 7  5  o 6.466000 1.972000  0.5938000E-01  3.944000  
1 1 1 -17 7  6  o 8.168000 2.482000  5.402000       4.964000  
1 1 1 -17 7  7  o 10.31000 2.667000  -4.854000      5.334000  
1 1 1 -17 7  8  f 6.803000 2.258000  -0.7037000     4.516000  
1 1 1 -17 7  9  o 17.53000 2.421000  -0.7942000E-01 4.842000  
1 1 1 -17 7  10 o 7.246000 2.384000  1.049000       4.769000  
1 1 1 -17 7  11 o 6.242000 2.151000  0.3690000      4.303000  
1 1 1 -17 7  12 o 10.40000 2.942000  2.729000       5.884000  
1 1 1 -17 7  13 o 6.697000 2.298000  0.1829000      4.596000  
1 1 1 -17 7  14 o 9.324000 2.876000  3.277000       5.753000  
1 1 1 -17 7  15 o 10.22000 3.044000  2.003000       6.088000  
1 1 1 -17 7  16 o 7.609000 3.577000  ?              ?         
1 1 1 -17 8  1  o 8.424000 2.567000  0.7020000      5.134000  
1 1 1 -17 8  2  o 6.462000 2.190000  0.1948000      4.379000  
1 1 1 -17 8  3  o 15.97000 2.616000  -1.779000      5.232000  
1 1 1 -17 8  4  o 17.39000 2.523000  -3.632000      5.045000  
1 1 1 -17 8  5  o 7.067000 2.330000  2.375000       4.660000  
1 1 1 -17 8  6  o 11.68000 2.839000  2.013000       5.677000  
1 1 1 -17 8  7  o 8.209000 2.561000  -1.378000      5.121000  
1 1 1 -17 8  8  o 13.77000 2.858000  3.698000       5.715000  
1 1 1 -17 8  9  o 7.078000 2.341000  -1.207000      4.682000  
1 1 1 -17 8  10 o 8.367000 2.627000  0.8743000      5.254000  
1 1 1 -17 8  11 o 6.285000 2.178000  0.5978000      4.357000  
1 1 1 -17 8  12 o 12.76000 4.055000  ?              ?         
1 1 1 -16 0  1  o 8.658000 3.762000  0.000000       0.000000  
1 1 1 -16 0  2  o 11.89000 3.356000  0.000000       0.000000  
1 1 1 -16 0  3  o 14.13000 2.867000  -0.000000      0.000000  
1 1 1 -16 0  5  o 4.652000 3.047000  -0.000000      0.000000  
1 1 1 -16 0  6  o 7.318000 3.745000  0.000000       0.000000  
1 1 1 -16 0  7  o 4.397000 2.909000  0.000000       0.000000  
1 1 1 -16 0  8  o 22.90000 1.610000  -0.000000      0.000000  
1 1 1 -16 0  9  o 3.770000 2.638000  0.000000       0.000000  
1 1 1 -16 0  10 o 29.99000 1.326000  -0.000000      0.000000  
1 1 1 -16 0  11 o 29.80000 1.376000  0.000000       0.000000  
1 1 1 -16 0  12 o 10.41000 4.090000  -0.000000      0.000000  
1 1 1 -16 0  13 o 12.61000 3.821000  0.000000       0.000000  
1 1 1 -16 0  14 o 9.457000 4.200000  -0.000000      0.000000  
1 1 1 -16 0  15 o 19.18000 2.505000  0.000000       0.000000  
1 1 1 -16 0  16 o 6.594000 3.934000  0.000000       0.000000  
1 1 1 -16 0  17 o 5.576000 3.581000  -0.000000      0.000000  
1 1 1 -16 0  18 o 7.451000 4.201000  -0.000000      0.000000  
1 1 1 -16 0  19 o 5.778000 3.650000  -0.000000      0.000000  
1 1 1 -16 0  20 o 12.99000 3.897000  0.000000       0.000000  
1 1 1 -16 0  21 f 7.911000 4.353000  -0.000000      0.000000  
1 1 1 -16 0  22 o 8.226000 4.483000  -0.000000      0.000000  
1 1 1 -16 0  23 o 5.261000 3.537000  0.000000       0.000000  
1 1 1 -16 1  1  o 23.03000 1.068000  0.2663000      2.137000  
1 1 1 -16 1  2  o 20.23000 1.205000  -0.2944000     2.411000  
1 1 1 -16 1  3  o 7.762000 2.131000  -1.879000      4.262000  
1 1 1 -16 1  4  o 38.85000 0.7204000 -1.616000      1.441000  
1 1 1 -16 1  5  o 10.70000 2.183000  1.375000       4.365000  
1 1 1 -16 1  6  f 6.876000 2.043000  1.816000       4.087000  
1 1 1 -16 1  7  o 10.90000 1.979000  -5.934000      3.958000  
1 1 1 -16 1  8  o 15.96000 1.599000  1.020000       3.198000  
1 1 1 -16 1  9  o 6.523000 2.030000  -0.5293000     4.059000  
1 1 1 -16 1  10 f 10.07000 2.251000  2.240000       4.501000  
1 1 1 -16 1  11 o 6.135000 1.955000  -2.930000      3.911000  
1 1 1 -16 1  12 o 11.77000 2.294000  -1.344000      4.588000  
1 1 1 -16 1  13 o 16.32000 1.828000  3.541000       3.657000  
1 1 1 -16 1  14 o 6.426000 2.070000  0.6541000      4.140000  
1 1 1 -16 1  15 o 10.70000 2.445000  -3.646000      4.891000  
1 1 1 -16 1  16 o 15.95000 2.140000  -3.025000      4.280000  
1 1 1 -16 1  17 o 6.758000 2.163000  -1.649000      4.326000  
1 1 1 -16 1  18 o 7.043000 2.173000  3.039000       4.345000  
1 1 1 -16 1  19 o 5.461000 1.878000  -0.6070000E-01 3.756000  
1 1 1 -16 1  20 o 8.041000 2.218000  -4.086000      4.436000  
1 1 1 -16 1  21 o 6.109000 2.100000  1.602000       4.200000  
1 1 1 -16 1  22 o 9.248000 2.589000  -1.389000      5.177000  
1 1 1 -16 1  23 o 4.944000 1.751000  -0.6331000     3.502000  
1 1 1 -16 2  1  o 15.42000 1.553000  -1.390000      3.105000  
1 1 1 -16 2  2  o 7.383000 2.077000  1.234000       4.154000  
1 1 1 -16 2  3  o 19.82000 1.237000  1.189000       2.475000  
1 1 1 -16 2  4  o 39.91000 0.7057000 0.5489000      1.411000  
1 1 1 -16 2  5  o 26.28000 0.9411000 2.447000       1.882000  
1 1 1 -16 2  6  o 26.45000 0.9662000 3.972000       1.932000  
1 1 1 -16 2  7  o 14.87000 1.749000  -5.205000      3.497000  
1 1 1 -16 2  8  o 7.495000 2.072000  2.376000       4.145000  
1 1 1 -16 2  9  o 21.61000 1.178000  2.388000       2.356000  
1 1 1 -16 2  10 o 30.19000 0.8991000 -0.2857000     1.798000  
1 1 1 -16 2  11 f 14.92000 1.873000  1.745000       3.746000  
1 1 1 -16 2  12 o 21.56000 1.342000  2.219000       2.684000  
1 1 1 -16 2  13 o 47.66000 0.7247000 1.466000       1.449000  
1 1 1 -16 2  14 o 40.41000 0.8298000 -2.090000      1.660000  
1 1 1 -16 2  15 o 34.11000 1.007000  -2.376000      2.015000  
1 1 1 -16 2  16 o 14.58000 2.149000  1.381000       4.298000  
1 1 1 -16 2  17 o 7.793000 2.320000  0.3777000      4.639000  
1 1 1 -16 2  18 o 16.78000 2.658000  -4.345000      5.317000  
1 1 1 -16 2  19 o 6.434000 2.138000  0.2578000E-01  4.276000  
1 1 1 -16 2  20 o 9.918000 2.576000  -1.804000      5.153000  
1 1 1 -16 2  21 o 6.046000 2.060000  0.3841000      4.119000  
1 1 1 -16 2  22 o 6.404000 2.217000  3.379000       4.433000  
1 1 1 -16 2  23 o 5.112000 1.801000  0.2159000      3.602000  
1 1 1 -16 3  1  o 27.79000 0.8506000 1.537000       1.701000  
1 1 1 -16 3  2  o 16.58000 1.406000  -0.5272000     2.812000  
1 1 1 -16 3  3  o 32.65000 0.7910000 -0.3406000     1.582000  
1 1 1 -16 3  4  o 40.01000 0.7032000 -0.4377000     1.406000  
1 1 1 -16 3  5  f 9.438000 2.006000  5.104000       4.012000  
1 1 1 -16 3  6  o 7.731000 2.055000  -3.522000      4.110000  
1 1 1 -16 3  7  o 12.21000 1.968000  3.766000       3.936000  
1 1 1 -16 3  8  o 16.49000 1.489000  0.8346000      2.978000  
1 1 1 -16 3  9  o 15.10000 1.684000  2.654000       3.369000  
1 1 1 -16 3  10 o 18.15000 1.550000  -5.060000      3.100000  
1 1 1 -16 3  11 o 12.87000 2.018000  3.661000       4.036000  
1 1 1 -16 3  12 o 14.93000 1.844000  -1.394000      3.689000  
1 1 1 -16 3  13 o 17.96000 1.616000  -1.153000      3.232000  
1 1 1 -16 3  14 o 11.65000 2.325000  -1.757000      4.649000  
1 1 1 -16 3  15 o 8.815000 2.351000  2.743000       4.703000  
1 1 1 -16 3  16 o 7.803000 2.250000  3.577000       4.501000  
1 1 1 -16 3  17 o 6.588000 2.211000  0.7604000      4.422000  
1 1 1 -16 3  18 o 6.091000 2.095000  2.351000       4.191000  
1 1 1 -16 3  19 o 10.29000 2.457000  -2.985000      4.914000  
1 1 1 -16 3  20 o 9.279000 2.336000  -4.266000      4.672000  
1 1 1 -16 3  21 o 7.681000 2.427000  0.4136000      4.854000  
1 1 1 -16 3  22 o 6.081000 2.087000  -0.3464000     4.174000  
1 1 1 -16 4  1  o 13.75000 1.751000  4.293000       3.502000  
1 1 1 -16 4  2  o 27.07000 0.8836000 0.5987000      1.767000  
1 1 1 -16 4  3  f 18.93000 1.295000  0.3930000      2.590000  
1 1 1 -16 4  4  o 28.07000 0.8772000 1.951000       1.754000  
1 1 1 -16 4  5  o 21.55000 1.090000  2.191000       2.181000  
1 1 1 -16 4  6  o 13.36000 1.777000  6.218000       3.554000  
1 1 1 -16 4  7  o 27.31000 0.8887000 2.723000       1.777000  
1 1 1 -16 4  8  o 50.54000 0.6343000 -0.5555000     1.269000  
1 1 1 -16 4  9  o 23.60000 1.033000  -1.073000      2.066000  
1 1 1 -16 4  10 o 12.95000 1.873000  -6.242000      3.745000  
1 1 1 -16 4  11 o 22.44000 1.147000  2.158000       2.294000  
1 1 1 -16 4  12 o 17.17000 1.538000  -0.3465000     3.077000  
1 1 1 -16 4  13 o 6.146000 1.986000  1.252000       3.971000  
1 1 1 -16 4  14 o 5.964000 1.942000  -1.442000      3.884000  
1 1 1 -16 4  15 f 10.39000 2.082000  -6.898000      4.163000  
1 1 1 -16 4  16 o 10.19000 2.564000  0.5946000E-01  5.128000  
1 1 1 -16 4  17 o 11.56000 2.635000  7.145000       5.269000  
1 1 1 -16 4  18 o 10.32000 2.622000  8.901000       5.244000  
1 1 1 -16 4  19 o 9.591000 2.645000  1.923000       5.291000  
1 1 1 -16 4  20 o 13.21000 2.374000  -6.891000      4.748000  
1 1 1 -16 4  21 o 6.289000 2.181000  2.265000       4.362000  
1 1 1 -16 4  22 o 8.507000 2.576000  1.316000       5.152000  
1 1 1 -16 5  1  o 39.14000 0.6585000 0.1986000      1.317000  
1 1 1 -16 5  2  o 32.62000 0.7676000 -4.092000      1.535000  
1 1 1 -16 5  3  o 18.27000 1.229000  1.189000       2.458000  
1 1 1 -16 5  4  o 16.20000 1.339000  1.101000       2.678000  
1 1 1 -16 5  5  o 25.05000 0.8845000 2.298000       1.769000  
1 1 1 -16 5  6  o 31.96000 0.7271000 0.8738000      1.454000  
1 1 1 -16 5  7  o 6.158000 1.906000  -0.7610000     3.812000  
1 1 1 -16 5  8  f 26.90000 0.8628000 0.2029000      1.726000  
1 1 1 -16 5  9  o 8.347000 2.119000  0.5448000      4.237000  
1 1 1 -16 5  10 o 7.596000 1.970000  -3.009000      3.940000  
1 1 1 -16 5  11 o 7.305000 2.091000  0.8806000      4.182000  
1 1 1 -16 5  12 o 7.384000 2.073000  2.100000       4.145000  
1 1 1 -16 5  13 o 10.23000 2.220000  1.548000       4.441000  
1 1 1 -16 5  14 o 7.767000 2.213000  -0.2358000     4.426000  
1 1 1 -16 5  15 o 9.148000 2.558000  2.129000       5.117000  
1 1 1 -16 5  16 o 6.428000 2.129000  1.068000       4.259000  
1 1 1 -16 5  17 o 13.39000 2.418000  -4.966000      4.836000  
1 1 1 -16 5  18 o 13.31000 2.735000  1.700000       5.470000  
1 1 1 -16 5  19 o 6.551000 2.262000  3.246000       4.523000  
1 1 1 -16 5  20 o 6.659000 2.302000  1.050000       4.603000  
1 1 1 -16 5  21 o 7.262000 2.468000  0.3709000      4.937000  
1 1 1 -16 6  1  o 11.64000 1.820000  -0.2068000     3.641000  
1 1 1 -16 6  2  o 10.11000 2.002000  -2.645000      4.004000  
1 1 1 -16 6  3  o 5.552000 1.758000  -0.9951000     3.515000  
1 1 1 -16 6  4  o 15.95000 2.119000  -2.598000      4.238000  
1 1 1 -16 6  5  o 17.86000 1.652000  2.636000       3.305000  
1 1 1 -16 6  6  o 24.35000 0.8698000 1.850000       1.740000  
1 1 1 -16 6  7  o 10.23000 1.939000  0.2575000      3.879000  
1 1 1 -16 6  8  o 13.14000 1.663000  -1.671000      3.325000  
1 1 1 -16 6  9  o 23.28000 0.9473000 1.492000       1.895000  
1 1 1 -16 6  10 o 24.64000 0.9516000 0.2397000      1.903000  
1 1 1 -16 6  11 f 28.37000 0.8418000 1.410000       1.684000  
1 1 1 -16 6  12 o 23.74000 1.031000  -2.057000      2.063000  
1 1 1 -16 6  13 o 7.533000 2.086000  -1.610000      4.171000  
1 1 1 -16 6  14 o 7.367000 2.300000  3.465000       4.600000  
1 1 1 -16 6  15 o 6.546000 2.130000  1.046000       4.259000  
1 1 1 -16 6  16 o 10.15000 2.746000  0.4489000      5.492000  
1 1 1 -16 6  17 o 13.29000 2.975000  5.878000       5.951000  
1 1 1 -16 6  18 f 14.98000 2.952000  5.886000       5.905000  
1 1 1 -16 6  19 o 7.567000 2.528000  -0.1124000     5.057000  
1 1 1 -16 7  1  o 6.059000 1.841000  -0.8455000     3.681000  
1 1 1 -16 7  2  o 21.11000 1.025000  -0.8251000     2.051000  
1 1 1 -16 7  3  o 16.56000 1.242000  1.016000       2.484000  
1 1 1 -16 7  4  o 9.977000 1.798000  -4.462000      3.596000  
1 1 1 -16 7  5  o 10.89000 1.822000  -1.032000      3.643000  
1 1 1 -16 7  6  o 26.29000 0.7550000 -0.1218000     1.510000  
1 1 1 -16 7  7  o 5.326000 1.701000  0.5272000      3.401000  
1 1 1 -16 7  8  o 7.793000 1.924000  3.178000       3.847000  
1 1 1 -16 7  9  o 5.859000 1.800000  2.149000       3.599000  
1 1 1 -16 7  10 o 13.76000 1.612000  -4.370000      3.223000  
1 1 1 -16 7  11 f 11.88000 2.497000  5.898000       4.994000  
1 1 1 -16 7  12 o 8.053000 2.559000  1.504000       5.118000  
1 1 1 -16 7  13 o 9.736000 2.826000  1.033000       5.652000  
1 1 1 -16 7  14 o 11.31000 2.903000  -1.883000      5.806000  
1 1 1 -16 7  15 o 11.55000 2.763000  -6.605000      5.525000  
1 1 1 -16 7  16 o 9.765000 2.840000  -2.380000      5.680000  
1 1 1 -16 7  17 o 10.11000 2.988000  3.361000       5.976000  
1 1 1 -16 8  1  f 9.325000 2.469000  1.602000       4.939000  
1 1 1 -16 8  2  o 12.93000 1.687000  3.706000       3.374000  
1 1 1 -16 8  3  o 4.764000 1.578000  -0.9854000     3.157000  
1 1 1 -16 8  4  o 7.601000 1.830000  2.248000       3.660000  
1 1 1 -16 8  5  o 5.942000 1.629000  -4.371000      3.258000  
1 1 1 -16 8  6  f 18.84000 0.9758000 -1.032000      1.952000  
1 1 1 -16 8  7  o 23.91000 1.348000  -2.098000      2.695000  
1 1 1 -16 8  8  o 10.38000 2.738000  -1.348000      5.476000  
1 1 1 -16 8  9  o 24.76000 1.659000  1.023000       3.319000  
1 1 1 -16 8  10 o 25.82000 1.676000  0.1763000      3.353000  
1 1 1 -16 8  11 o 26.58000 1.726000  1.078000       3.451000  
1 1 1 -16 8  12 o 12.24000 2.828000  -4.660000      5.657000  
1 1 1 -16 8  13 o 16.91000 2.769000  8.832000       5.539000  
1 1 1 -16 8  14 o 8.100000 2.635000  3.098000       5.269000  
1 1 1 -16 8  15 o 5.209000 2.622000  ?              ?         
1 1 1 -16 9  1  f 7.619000 2.416000  0.4418000      4.833000  
1 1 1 -16 9  2  o 13.34000 3.037000  4.179000       6.075000  
1 1 1 -16 9  3  o 10.06000 2.833000  1.210000       5.667000  
1 1 1 -16 9  4  o 19.79000 2.429000  -0.6612000     4.858000  
1 1 1 -16 9  5  o 22.34000 2.181000  -0.6066000     4.362000  
1 1 1 -16 9  6  o 10.14000 2.827000  0.5781000      5.654000  
1 1 1 -16 9  7  o 12.29000 2.780000  -1.829000      5.561000  
1 1 1 -16 9  8  o 7.780000 2.465000  -2.655000      4.930000  
1 1 1 -16 9  9  o 10.16000 2.573000  6.200000       5.146000  
1 1 1 -16 9  10 o 6.400000 2.182000  -1.019000      4.363000  
1 1 1 -16 9  11 o 11.01000 4.255000  ?              ?         
1 1 1 -16 9  12 o 8.797000 3.871000  ?              ?         
1 1 1 -15 0  1  o 27.63000 1.312000  0.000000       0.000000  
1 1 1 -15 0  2  o 17.26000 1.924000  0.000000       0.000000  
1 1 1 -15 0  3  o 15.65000 2.372000  0.000000       0.000000  
1 1 1 -15 0  4  o 18.94000 1.826000  -0.000000      0.000000  
1 1 1 -15 0  5  f 6.418000 3.604000  -0.000000      0.000000  
1 1 1 -15 0  6  o 4.336000 2.878000  -0.000000      0.000000  
1 1 1 -15 0  7  o 23.99000 1.426000  0.000000       0.000000  
1 1 1 -15 0  8  o 28.47000 1.344000  -0.000000      0.000000  
1 1 1 -15 0  9  o 12.14000 3.416000  0.000000       0.000000  
1 1 1 -15 0  10 o 11.84000 3.582000  0.000000       0.000000  
1 1 1 -15 0  11 o 7.753000 3.952000  0.000000       0.000000  
1 1 1 -15 0  12 o 35.76000 1.220000  0.000000       0.000000  
1 1 1 -15 0  14 o 36.65000 1.273000  0.000000       0.000000  
1 1 1 -15 0  15 o 42.67000 1.152000  -0.000000      0.000000  
1 1 1 -15 0  16 o 8.496000 4.293000  0.000000       0.000000  
1 1 1 -15 0  17 o 3.498000 2.524000  -0.000000      0.000000  
1 1 1 -15 0  18 o 5.012000 3.352000  -0.000000      0.000000  
1 1 1 -15 0  19 o 6.357000 3.851000  0.000000       0.000000  
1 1 1 -15 0  20 o 5.118000 3.404000  0.000000       0.000000  
1 1 1 -15 0  21 o 7.649000 4.292000  0.000000       0.000000  
1 1 1 -15 0  22 o 5.311000 3.529000  0.000000       0.000000  
1 1 1 -15 0  23 o 7.783000 4.311000  0.000000       0.000000  
1 1 1 -15 0  24 o 8.561000 4.495000  0.000000       0.000000  
1 1 1 -15 1  1  o 50.28000 0.6297000 1.452000       1.259000  
1 1 1 -15 1  2  o 29.03000 0.8468000 1.214000       1.694000  
1 1 1 -15 1  3  o 22.84000 1.112000  -0.1156000     2.223000  
1 1 1 -15 1  4  o 8.049000 2.152000  -1.830000      4.304000  
1 1 1 -15 1  5  o 34.63000 0.7636000 -0.7276000     1.527000  
1 1 1 -15 1  6  o 16.19000 1.543000  0.2493000      3.087000  
1 1 1 -15 1  7  o 63.12000 0.6149000 0.3737000      1.230000  
1 1 1 -15 1  8  f 13.79000 1.898000  -2.621000      3.796000  
1 1 1 -15 1  9  f 67.10000 0.8017000 1.081000       1.603000  
1 1 1 -15 1  10 o 11.55000 2.111000  -4.980000      4.222000  
1 1 1 -15 1  11 o 7.710000 2.201000  -1.946000      4.402000  
1 1 1 -15 1  12 o 35.02000 0.9033000 1.356000       1.807000  
1 1 1 -15 1  13 o 10.91000 2.331000  -4.585000      4.661000  
1 1 1 -15 1  14 o 12.88000 2.348000  1.134000       4.697000  
1 1 1 -15 1  15 o 8.678000 2.409000  -0.1661000     4.817000  
1 1 1 -15 1  16 o 11.56000 2.281000  -6.562000      4.561000  
1 1 1 -15 1  17 o 8.945000 2.444000  3.079000       4.887000  
1 1 1 -15 1  18 o 10.25000 2.498000  -0.5132000     4.996000  
1 1 1 -15 1  19 o 9.310000 2.645000  4.905000       5.291000  
1 1 1 -15 1  20 o 7.908000 2.460000  0.6082000      4.920000  
1 1 1 -15 1  21 o 6.721000 2.135000  -2.964000      4.270000  
1 1 1 -15 1  22 o 7.812000 2.324000  -2.794000      4.649000  
1 1 1 -15 1  23 o 7.838000 2.284000  4.615000       4.568000  
1 1 1 -15 1  24 o 8.687000 2.522000  0.7984000      5.044000  
1 1 1 -15 2  1  o 14.06000 1.784000  -5.173000      3.568000  
1 1 1 -15 2  2  o 7.169000 2.040000  0.6749000      4.080000  
1 1 1 -15 2  3  o 19.57000 1.253000  0.3410000      2.506000  
1 1 1 -15 2  4  o 17.12000 1.478000  1.122000       2.955000  
1 1 1 -15 2  5  o 11.81000 1.910000  -4.037000      3.819000  
1 1 1 -15 2  6  o 10.08000 2.154000  2.247000       4.308000  
1 1 1 -15 2  7  o 11.63000 2.246000  -1.707000      4.493000  
1 1 1 -15 2  8  o 20.73000 1.244000  -0.7921000     2.487000  
1 1 1 -15 2  9  o 26.04000 0.9879000 -3.015000      1.976000  
1 1 1 -15 2  10 o 9.142000 2.110000  4.920000       4.220000  
1 1 1 -15 2  11 o 23.42000 1.150000  -1.077000      2.299000  
1 1 1 -15 2  12 o 40.71000 0.7728000 -1.533000      1.546000  
1 1 1 -15 2  13 o 11.49000 2.347000  -1.686000      4.694000  
1 1 1 -15 2  14 o 20.01000 1.548000  2.011000       3.095000  
1 1 1 -15 2  15 o 21.57000 1.432000  -2.865000      2.863000  
1 1 1 -15 2  16 o 13.19000 2.345000  -3.844000      4.689000  
1 1 1 -15 2  17 o 7.379000 2.276000  -0.5213000     4.553000  
1 1 1 -15 2  18 o 15.72000 2.389000  -3.617000      4.779000  
1 1 1 -15 2  19 o 12.37000 2.674000  0.3443000      5.347000  
1 1 1 -15 2  20 o 13.37000 2.714000  7.747000       5.429000  
1 1 1 -15 2  21 f 8.376000 2.459000  -0.7159000     4.918000  
1 1 1 -15 2  22 o 7.687000 2.340000  -1.418000      4.680000  
1 1 1 -15 2  23 o 7.437000 2.335000  -0.4083000     4.671000  
1 1 1 -15 2  24 o 7.025000 2.214000  3.860000       4.429000  
1 1 1 -15 3  1  o 55.83000 0.6073000 -0.7526000     1.215000  
1 1 1 -15 3  2  o 35.18000 0.7273000 -0.8609000     1.455000  
1 1 1 -15 3  3  o 45.57000 0.6400000 0.6856000      1.280000  
1 1 1 -15 3  4  o 22.33000 1.037000  0.5132000      2.074000  
1 1 1 -15 3  5  o 40.38000 0.6613000 0.3062000      1.323000  
1 1 1 -15 3  6  o 31.36000 0.7915000 0.7871000      1.583000  
1 1 1 -15 3  7  o 30.26000 0.8462000 -0.8950000     1.692000  
1 1 1 -15 3  8  o 14.42000 1.702000  2.808000       3.405000  
1 1 1 -15 3  9  o 24.05000 1.060000  -2.466000      2.119000  
1 1 1 -15 3  10 o 28.18000 1.158000  -1.018000      2.316000  
1 1 1 -15 3  11 o 21.85000 1.201000  -3.688000      2.402000  
1 1 1 -15 3  12 o 29.93000 0.9655000 2.021000       1.931000  
1 1 1 -15 3  13 o 12.66000 2.266000  -0.9297000     4.532000  
1 1 1 -15 3  14 o 12.85000 2.134000  6.166000       4.269000  
1 1 1 -15 3  15 f 19.38000 1.586000  1.070000       3.171000  
1 1 1 -15 3  16 o 7.739000 2.420000  2.673000       4.840000  
1 1 1 -15 3  17 o 7.336000 2.233000  -0.9914000     4.465000  
1 1 1 -15 3  18 o 8.482000 2.450000  0.3589000      4.899000  
1 1 1 -15 3  19 o 8.220000 2.109000  -4.762000      4.217000  
1 1 1 -15 3  20 o 6.469000 2.183000  2.044000       4.365000  
1 1 1 -15 3  21 o 7.106000 2.388000  4.388000       4.776000  
1 1 1 -15 3  22 o 6.482000 2.204000  2.575000       4.407000  
1 1 1 -15 3  23 o 6.953000 2.243000  2.366000       4.486000  
1 1 1 -15 3  24 o 6.559000 2.114000  -3.066000      4.228000  
1 1 1 -15 4  1  o 24.92000 0.8965000 0.1869000      1.793000  
1 1 1 -15 4  2  o 14.75000 1.572000  -0.9756000     3.145000  
1 1 1 -15 4  3  o 30.07000 0.7918000 -0.3690000     1.584000  
1 1 1 -15 4  4  o 5.883000 1.848000  0.3927000      3.697000  
1 1 1 -15 4  5  o 16.21000 1.373000  -0.1918000E-01 2.745000  
1 1 1 -15 4  6  o 15.97000 1.428000  -0.3954000     2.855000  
1 1 1 -15 4  7  f 8.507000 2.005000  3.442000       4.010000  
1 1 1 -15 4  8  o 18.43000 1.217000  0.4729000E-01  2.435000  
1 1 1 -15 4  9  o 8.131000 2.100000  -0.5915000     4.200000  
1 1 1 -15 4  10 o 7.953000 2.122000  -1.673000      4.243000  
1 1 1 -15 4  11 o 20.01000 1.297000  0.2538000      2.595000  
1 1 1 -15 4  12 o 25.54000 1.081000  -3.311000      2.162000  
1 1 1 -15 4  13 o 21.72000 1.272000  0.5764000E-02  2.544000  
1 1 1 -15 4  14 o 22.77000 1.322000  3.853000       2.644000  
1 1 1 -15 4  15 o 13.18000 2.370000  1.336000       4.741000  
1 1 1 -15 4  16 o 8.888000 2.529000  2.989000       5.057000  
1 1 1 -15 4  17 o 9.606000 2.230000  -4.485000      4.459000  
1 1 1 -15 4  18 o 10.30000 2.450000  -2.125000      4.901000  
1 1 1 -15 4  19 o 17.47000 2.332000  -3.235000      4.664000  
1 1 1 -15 4  20 o 16.63000 2.506000  -3.540000      5.012000  
1 1 1 -15 4  21 o 7.077000 2.147000  -2.525000      4.294000  
1 1 1 -15 4  22 o 8.382000 2.440000  -1.022000      4.881000  
1 1 1 -15 4  23 o 6.302000 2.242000  4.550000       4.484000  
1 1 1 -15 4  24 o 5.881000 2.886000  ?              ?         
1 1 1 -15 5  1  o 46.68000 0.5998000 -1.207000      1.200000  
1 1 1 -15 5  2  o 13.05000 1.707000  4.364000       3.413000  
1 1 1 -15 5  3  o 19.06000 1.087000  -0.7218000     2.173000  
1 1 1 -15 5  4  o 39.07000 0.6003000 -1.033000      1.201000  
1 1 1 -15 5  5  o 61.32000 0.5758000 -1.112000      1.152000  
1 1 1 -15 5  6  o 21.49000 1.594000  2.781000       3.189000  
1 1 1 -15 5  7  o 15.28000 1.498000  -0.1251000E-01 2.996000  
1 1 1 -15 5  8  o 7.267000 2.045000  -0.3196000     4.091000  
1 1 1 -15 5  9  o 25.37000 0.9002000 1.212000       1.800000  
1 1 1 -15 5  10 o 17.29000 1.429000  -1.349000      2.858000  
1 1 1 -15 5  11 o 16.14000 2.014000  1.493000       4.029000  
1 1 1 -15 5  12 o 19.09000 1.447000  -4.913000      2.894000  
1 1 1 -15 5  13 o 16.32000 1.584000  -2.635000      3.169000  
1 1 1 -15 5  14 o 5.940000 2.012000  2.046000       4.025000  
1 1 1 -15 5  15 o 9.598000 2.242000  -3.683000      4.485000  
1 1 1 -15 5  16 o 8.577000 2.457000  0.7566000      4.914000  
1 1 1 -15 5  17 o 9.433000 2.416000  -1.384000      4.832000  
1 1 1 -15 5  18 o 6.322000 2.164000  2.644000       4.328000  
1 1 1 -15 5  19 o 8.310000 2.589000  5.620000       5.178000  
1 1 1 -15 5  20 o 4.990000 1.818000  2.768000       3.636000  
1 1 1 -15 5  21 o 7.070000 2.403000  4.754000       4.807000  
1 1 1 -15 5  22 o 7.595000 2.396000  0.8872000      4.793000  
1 1 1 -15 5  23 o 6.695000 3.005000  ?              ?         
1 1 1 -15 6  1  o 13.08000 1.640000  -4.506000      3.281000  
1 1 1 -15 6  2  o 9.099000 2.032000  -1.601000      4.064000  
1 1 1 -15 6  3  o 16.85000 1.203000  1.744000       2.407000  
1 1 1 -15 6  4  o 10.67000 1.809000  2.927000       3.618000  
1 1 1 -15 6  5  o 27.90000 0.7593000 0.2225000      1.519000  
1 1 1 -15 6  6  o 18.02000 1.163000  -1.052000      2.326000  
1 1 1 -15 6  7  o 6.826000 1.919000  -0.9356000     3.838000  
1 1 1 -15 6  8  o 11.24000 1.830000  -5.857000      3.660000  
1 1 1 -15 6  9  o 10.30000 1.936000  5.304000       3.872000  
1 1 1 -15 6  10 o 19.94000 1.110000  1.628000       2.220000  
1 1 1 -15 6  11 o 5.584000 1.796000  1.504000       3.592000  
1 1 1 -15 6  12 o 7.304000 2.248000  3.431000       4.496000  
1 1 1 -15 6  13 o 7.048000 2.281000  2.708000       4.563000  
1 1 1 -15 6  14 o 8.726000 2.341000  0.4374000      4.683000  
1 1 1 -15 6  15 o 13.36000 2.232000  -4.575000      4.463000  
1 1 1 -15 6  16 o 16.20000 2.202000  -2.837000      4.404000  
1 1 1 -15 6  17 o 10.22000 2.323000  -2.717000      4.646000  
1 1 1 -15 6  18 o 9.065000 2.570000  1.312000       5.140000  
1 1 1 -15 6  19 o 11.87000 2.604000  -0.6340000     5.208000  
1 1 1 -15 6  20 o 8.013000 2.302000  -1.350000      4.604000  
1 1 1 -15 6  21 o 7.501000 3.508000  ?              ?         
1 1 1 -15 7  1  o 25.46000 0.8862000 0.5462000E-01  1.772000  
1 1 1 -15 7  2  o 9.552000 1.893000  -3.887000      3.787000  
1 1 1 -15 7  3  o 29.24000 0.7212000 2.897000       1.442000  
1 1 1 -15 7  4  o 23.16000 0.8623000 3.574000       1.725000  
1 1 1 -15 7  5  o 16.40000 1.145000  0.8463000      2.291000  
1 1 1 -15 7  6  o 6.746000 1.817000  -1.790000      3.634000  
1 1 1 -15 7  7  o 16.83000 1.132000  3.629000       2.264000  
1 1 1 -15 7  8  o 30.75000 0.6871000 -0.8155000     1.374000  
1 1 1 -15 7  9  o 10.54000 1.845000  -1.764000      3.690000  
1 1 1 -15 7  10 o 9.067000 1.681000  -6.677000      3.361000  
1 1 1 -15 7  11 o 15.22000 1.925000  1.776000       3.851000  
1 1 1 -15 7  12 o 6.174000 2.012000  2.485000       4.024000  
1 1 1 -15 7  13 o 6.239000 2.086000  5.665000       4.173000  
1 1 1 -15 7  14 o 7.145000 2.010000  -1.675000      4.019000  
1 1 1 -15 7  15 o 8.362000 2.298000  -0.8601000     4.597000  
1 1 1 -15 7  16 o 10.06000 2.413000  -1.233000      4.826000  
1 1 1 -15 7  17 o 9.590000 2.649000  1.244000       5.297000  
1 1 1 -15 7  18 o 11.52000 3.049000  2.491000       6.097000  
1 1 1 -15 7  19 o 6.943000 3.311000  ?              ?         
1 1 1 -15 8  1  o 10.56000 1.719000  8.233000       3.438000  
1 1 1 -15 8  2  o 19.29000 1.019000  0.1250000      2.038000  
1 1 1 -15 8  3  o 15.66000 1.198000  -1.106000      2.397000  
1 1 1 -15 8  4  o 7.375000 1.766000  2.612000       3.532000  
1 1 1 -15 8  5  o 6.183000 1.741000  0.5168000E-01  3.483000  
1 1 1 -15 8  6  o 16.69000 0.9528000 0.9195000      1.906000  
1 1 1 -15 8  7  o 11.32000 1.459000  -1.876000      2.918000  
1 1 1 -15 8  8  o 8.892000 1.744000  -0.3925000     3.488000  
1 1 1 -15 8  9  o 7.957000 2.180000  7.525000       4.360000  
1 1 1 -15 8  10 o 15.12000 2.047000  1.476000       4.093000  
1 1 1 -15 8  11 o 6.895000 2.180000  4.050000       4.360000  
1 1 1 -15 8  12 o 12.63000 2.156000  4.217000       4.312000  
1 1 1 -15 8  13 o 6.971000 2.324000  0.3532000      4.649000  
1 1 1 -15 8  14 f 7.495000 2.453000  2.184000       4.906000  
1 1 1 -15 8  15 o 8.269000 2.608000  2.272000       5.216000  
1 1 1 -15 8  16 o 16.19000 2.771000  -8.119000      5.542000  
1 1 1 -15 8  17 o 7.040000 3.355000  ?              ?         
1 1 1 -15 9  1  o 8.808000 2.005000  2.738000       4.011000  
1 1 1 -15 9  2  o 8.700000 1.871000  -1.746000      3.741000  
1 1 1 -15 9  3  o 16.19000 1.057000  1.377000       2.113000  
1 1 1 -15 9  4  o 6.029000 1.649000  -3.024000      3.299000  
1 1 1 -15 9  5  o 28.65000 0.6053000 1.810000       1.211000  
1 1 1 -15 9  6  o 27.53000 1.313000  1.214000       2.627000  
1 1 1 -15 9  7  o 9.415000 2.697000  -2.021000      5.393000  
1 1 1 -15 9  8  o 9.020000 2.646000  -0.4236000     5.292000  
1 1 1 -15 9  9  o 26.46000 1.643000  -4.108000      3.287000  
1 1 1 -15 9  10 o 8.038000 2.524000  -1.115000      5.047000  
1 1 1 -15 9  11 o 7.282000 2.377000  -2.550000      4.754000  
1 1 1 -15 9  12 o 8.147000 2.579000  -2.750000      5.158000  
1 1 1 -15 9  13 o 9.712000 2.840000  2.487000       5.681000  
1 1 1 -15 9  14 o 7.443000 3.460000  ?              ?         
1 1 1 -15 10 1  o 6.876000 1.942000  1.987000       3.884000  
1 1 1 -15 10 2  o 5.838000 1.759000  -0.9376000     3.518000  
1 1 1 -15 10 3  o 13.09000 2.493000  -4.939000      4.986000  
1 1 1 -15 10 4  o 7.351000 2.325000  -2.414000      4.650000  
1 1 1 -15 10 5  o 11.77000 2.790000  -4.829000      5.580000  
1 1 1 -15 10 6  o 8.158000 2.566000  -1.323000      5.132000  
1 1 1 -15 10 7  o 6.254000 2.144000  -1.394000      4.289000  
1 1 1 -15 10 8  o 6.909000 2.333000  2.356000       4.666000  
1 1 1 -15 10 9  o 6.623000 2.300000  -0.8851000     4.600000  
1 1 1 -15 10 10 o 13.84000 4.721000  ?              ?         
1 1 1 -15 10 11 o 15.35000 4.569000  ?              ?         
1 1 1 -14 0  1  o 28.13000 1.290000  -0.000000      0.000000  
1 1 1 -14 0  2  o 14.07000 2.650000  0.000000       0.000000  
1 1 1 -14 0  3  o 43.21000 0.9431000 -0.000000      0.000000  
1 1 1 -14 0  4  o 54.52000 0.8729000 -0.000000      0.000000  
1 1 1 -14 0  5  o 22.96000 1.511000  0.000000       0.000000  
1 1 1 -14 0  6  o 15.66000 2.337000  -0.000000      0.000000  
1 1 1 -14 0  7  o 23.05000 1.556000  -0.000000      0.000000  
1 1 1 -14 0  8  o 4.366000 2.923000  -0.000000      0.000000  
1 1 1 -14 0  9  o 24.42000 1.615000  0.000000       0.000000  
1 1 1 -14 0  10 o 20.77000 1.915000  0.000000       0.000000  
1 1 1 -14 0  11 o 5.800000 3.538000  0.000000       0.000000  
1 1 1 -14 0  12 o 16.58000 2.714000  0.000000       0.000000  
1 1 1 -14 0  13 o 6.396000 3.796000  0.000000       0.000000  
1 1 1 -14 0  14 o 9.933000 4.285000  -0.000000      0.000000  
1 1 1 -14 0  15 o 32.05000 1.508000  0.000000       0.000000  
1 1 1 -14 0  16 o 7.684000 4.173000  0.000000       0.000000  
1 1 1 -14 0  17 o 4.300000 2.987000  0.000000       0.000000  
1 1 1 -14 0  18 o 17.48000 3.030000  -0.000000      0.000000  
1 1 1 -14 0  19 o 4.286000 2.968000  -0.000000      0.000000  
1 1 1 -14 0  20 o 7.844000 4.242000  -0.000000      0.000000  
1 1 1 -14 0  21 o 21.37000 2.339000  -0.000000      0.000000  
1 1 1 -14 0  22 o 21.78000 2.221000  -0.000000      0.000000  
1 1 1 -14 0  23 o 3.306000 2.415000  -0.000000      0.000000  
1 1 1 -14 0  24 o 5.478000 3.551000  0.000000       0.000000  
1 1 1 -14 0  25 o 9.652000 4.541000  -0.000000      0.000000  
1 1 1 -14 0  26 o 4.579000 3.198000  -0.000000      0.000000  
1 1 1 -14 1  1  f 52.57000 0.6194000 -0.2442000E-01 1.239000  
1 1 1 -14 1  2  o 35.18000 0.7479000 -3.019000      1.496000  
1 1 1 -14 1  3  o 64.13000 0.6336000 -1.092000      1.267000  
1 1 1 -14 1  4  o 50.47000 0.6264000 1.887000       1.253000  
1 1 1 -14 1  5  o 37.28000 0.7265000 1.790000       1.453000  
1 1 1 -14 1  6  o 54.07000 0.6141000 -1.090000      1.228000  
1 1 1 -14 1  7  o 37.62000 0.7288000 -0.3667000     1.458000  
1 1 1 -14 1  8  o 27.72000 0.9700000 1.837000       1.940000  
1 1 1 -14 1  9  o 55.34000 0.6437000 0.5279000      1.287000  
1 1 1 -14 1  10 o 12.06000 2.103000  6.106000       4.205000  
1 1 1 -14 1  11 o 20.97000 1.351000  -0.4361000     2.702000  
1 1 1 -14 1  12 o 27.11000 1.109000  -2.867000      2.219000  
1 1 1 -14 1  13 o 15.79000 2.028000  0.8871000      4.057000  
1 1 1 -14 1  14 o 9.848000 2.459000  -0.4914000     4.917000  
1 1 1 -14 1  15 o 27.91000 1.181000  0.6192000      2.362000  
1 1 1 -14 1  16 o 7.145000 2.228000  1.506000       4.456000  
1 1 1 -14 1  17 f 8.781000 2.406000  -3.159000      4.813000  
1 1 1 -14 1  18 o 11.90000 2.514000  -3.290000      5.027000  
1 1 1 -14 1  19 o 9.202000 2.647000  2.855000       5.294000  
1 1 1 -14 1  20 o 8.221000 2.367000  -3.311000      4.734000  
1 1 1 -14 1  21 o 10.60000 2.221000  8.040000       4.443000  
1 1 1 -14 1  22 o 5.970000 1.993000  1.369000       3.986000  
1 1 1 -14 1  23 o 7.079000 2.218000  -2.092000      4.436000  
1 1 1 -14 1  24 o 8.942000 2.397000  5.552000       4.794000  
1 1 1 -14 1  25 o 5.349000 1.867000  0.1225000      3.733000  
1 1 1 -14 1  26 o 6.027000 2.050000  -1.001000      4.099000  
1 1 1 -14 2  1  o 23.98000 1.024000  -0.5543000     2.049000  
1 1 1 -14 2  2  f 25.49000 0.9550000 -4.809000      1.910000  
1 1 1 -14 2  3  o 16.70000 1.519000  1.397000       3.038000  
1 1 1 -14 2  4  o 10.35000 2.155000  -0.8615000     4.309000  
1 1 1 -14 2  5  o 26.12000 0.9477000 -0.2600000     1.895000  
1 1 1 -14 2  6  o 28.59000 0.8805000 -0.8288000     1.761000  
1 1 1 -14 2  7  o 51.77000 0.6109000 0.9887000      1.222000  
1 1 1 -14 2  8  o 6.981000 2.059000  -1.569000      4.118000  
1 1 1 -14 2  9  o 13.73000 1.950000  -2.082000      3.901000  
1 1 1 -14 2  10 o 13.67000 1.905000  2.584000       3.810000  
1 1 1 -14 2  11 o 6.820000 2.097000  1.923000       4.195000  
1 1 1 -14 2  12 o 18.21000 1.612000  2.411000       3.225000  
1 1 1 -14 2  13 o 9.223000 2.233000  5.438000       4.465000  
1 1 1 -14 2  14 o 13.29000 2.157000  -5.274000      4.315000  
1 1 1 -14 2  15 o 19.84000 1.610000  1.041000       3.221000  
1 1 1 -14 2  16 o 9.176000 2.351000  3.805000       4.702000  
1 1 1 -14 2  17 o 15.69000 2.302000  2.460000       4.605000  
1 1 1 -14 2  18 o 13.73000 2.543000  1.172000       5.085000  
1 1 1 -14 2  19 o 15.67000 2.396000  -3.634000      4.792000  
1 1 1 -14 2  20 o 16.10000 2.286000  -1.232000      4.573000  
1 1 1 -14 2  21 o 11.75000 2.438000  4.154000       4.877000  
1 1 1 -14 2  22 o 10.89000 2.564000  -2.534000      5.128000  
1 1 1 -14 2  23 o 7.233000 2.292000  0.3337000      4.584000  
1 1 1 -14 2  24 o 5.898000 2.016000  2.349000       4.032000  
1 1 1 -14 2  25 o 7.903000 2.397000  4.072000       4.794000  
1 1 1 -14 3  1  o 56.68000 0.6051000 -0.7656000E-02 1.210000  
1 1 1 -14 3  2  f 28.67000 0.8516000 -1.031000      1.703000  
1 1 1 -14 3  3  o 24.69000 0.9574000 0.1946000      1.915000  
1 1 1 -14 3  4  o 66.69000 0.6139000 -0.2873000     1.228000  
1 1 1 -14 3  5  o 36.79000 0.7131000 2.605000       1.426000  
1 1 1 -14 3  6  o 68.37000 0.6272000 -0.6731000     1.254000  
1 1 1 -14 3  7  o 83.28000 0.6730000 0.1516000      1.346000  
1 1 1 -14 3  8  o 36.08000 0.7143000 -1.255000      1.429000  
1 1 1 -14 3  9  o 61.47000 0.6231000 -0.4572000     1.246000  
1 1 1 -14 3  10 o 17.84000 1.438000  4.473000       2.877000  
1 1 1 -14 3  11 o 34.19000 0.8351000 2.260000       1.670000  
1 1 1 -14 3  12 o 17.89000 2.212000  -2.557000      4.425000  
1 1 1 -14 3  13 o 13.19000 2.221000  2.385000       4.443000  
1 1 1 -14 3  14 o 22.83000 1.322000  2.661000       2.643000  
1 1 1 -14 3  15 o 14.49000 2.919000  2.970000       5.838000  
1 1 1 -14 3  16 o 9.881000 2.520000  2.444000       5.041000  
1 1 1 -14 3  17 o 8.430000 2.466000  0.7280000      4.932000  
1 1 1 -14 3  18 o 9.112000 2.359000  -2.915000      4.717000  
1 1 1 -14 3  19 o 10.25000 2.640000  0.6853000      5.280000  
1 1 1 -14 3  20 o 8.495000 2.479000  0.9361000      4.957000  
1 1 1 -14 3  21 o 7.720000 2.483000  5.290000       4.967000  
1 1 1 -14 3  22 o 10.25000 2.265000  -7.025000      4.530000  
1 1 1 -14 3  23 o 9.532000 2.277000  -6.701000      4.553000  
1 1 1 -14 3  24 o 9.703000 2.471000  5.880000       4.943000  
1 1 1 -14 3  25 o 11.42000 2.732000  5.226000       5.465000  
1 1 1 -14 4  1  o 8.708000 2.087000  1.301000       4.175000  
1 1 1 -14 4  2  o 64.17000 0.6094000 0.6702000E-01  1.219000  
1 1 1 -14 4  3  o 13.24000 1.703000  -0.8922000     3.406000  
1 1 1 -14 4  4  o 30.71000 0.7351000 -2.305000      1.470000  
1 1 1 -14 4  5  o 27.39000 1.151000  3.989000       2.302000  
1 1 1 -14 4  6  o 40.76000 0.6552000 0.7055000      1.310000  
1 1 1 -14 4  7  o 48.64000 0.7199000 -0.3040000     1.440000  
1 1 1 -14 4  8  o 18.31000 1.252000  -1.851000      2.503000  
1 1 1 -14 4  9  o 30.91000 1.093000  0.8605000      2.186000  
1 1 1 -14 4  10 o 13.78000 1.817000  3.619000       3.634000  
1 1 1 -14 4  11 o 8.305000 2.142000  -2.015000      4.285000  
1 1 1 -14 4  12 o 29.74000 0.9278000 0.2079000      1.856000  
1 1 1 -14 4  13 o 17.83000 1.553000  4.504000       3.106000  
1 1 1 -14 4  14 o 9.907000 2.367000  -1.289000      4.733000  
1 1 1 -14 4  15 o 17.37000 1.984000  0.3169000      3.968000  
1 1 1 -14 4  16 o 9.002000 2.555000  4.035000       5.110000  
1 1 1 -14 4  17 o 29.55000 1.302000  0.6098000      2.604000  
1 1 1 -14 4  18 f 12.91000 2.216000  -7.890000      4.432000  
1 1 1 -14 4  19 o 8.433000 2.490000  3.870000       4.981000  
1 1 1 -14 4  20 o 8.191000 2.441000  0.8462000      4.882000  
1 1 1 -14 4  21 o 10.42000 2.777000  2.894000       5.553000  
1 1 1 -14 4  22 o 6.059000 2.057000  1.045000       4.113000  
1 1 1 -14 4  23 o 8.581000 2.459000  2.694000       4.918000  
1 1 1 -14 4  24 o 6.593000 2.165000  2.038000       4.329000  
1 1 1 -14 4  25 o 5.540000 2.671000  ?              ?         
1 1 1 -14 5  1  o 42.63000 0.6226000 0.9224000      1.245000  
1 1 1 -14 5  2  o 43.14000 0.9245000 -0.2794000     1.849000  
1 1 1 -14 5  3  o 38.44000 0.6334000 -0.4828000     1.267000  
1 1 1 -14 5  4  o 5.921000 1.787000  2.152000       3.573000  
1 1 1 -14 5  5  o 9.249000 2.016000  0.7764000      4.032000  
1 1 1 -14 5  6  o 35.40000 0.6773000 0.9447000      1.355000  
1 1 1 -14 5  7  o 45.30000 0.5966000 0.1407000      1.193000  
1 1 1 -14 5  8  o 23.30000 0.9541000 -1.373000      1.908000  
1 1 1 -14 5  9  o 19.47000 1.262000  -5.483000      2.524000  
1 1 1 -14 5  10 o 19.10000 1.218000  2.325000       2.437000  
1 1 1 -14 5  11 o 22.48000 1.060000  1.609000       2.120000  
1 1 1 -14 5  12 o 29.49000 0.9966000 -0.6458000     1.993000  
1 1 1 -14 5  13 o 8.844000 2.435000  3.459000       4.871000  
1 1 1 -14 5  14 o 15.95000 2.117000  -1.587000      4.235000  
1 1 1 -14 5  15 o 8.303000 2.379000  7.197000       4.758000  
1 1 1 -14 5  16 o 18.45000 2.255000  -8.109000      4.509000  
1 1 1 -14 5  17 o 25.46000 1.524000  -0.2311000     3.048000  
1 1 1 -14 5  18 o 13.58000 2.489000  2.052000       4.978000  
1 1 1 -14 5  19 o 11.02000 2.304000  -4.070000      4.608000  
1 1 1 -14 5  20 o 7.861000 2.386000  0.5950000      4.771000  
1 1 1 -14 5  21 o 7.291000 2.350000  1.634000       4.701000  
1 1 1 -14 5  22 o 5.894000 2.052000  1.916000       4.104000  
1 1 1 -14 5  23 o 4.578000 2.234000  ?              ?         
1 1 1 -14 5  24 o 8.894000 3.452000  ?              ?         
1 1 1 -14 6  1  o 20.46000 1.060000  -2.114000      2.120000  
1 1 1 -14 6  2  o 18.83000 1.145000  0.8392000E-01  2.290000  
1 1 1 -14 6  3  o 18.44000 1.099000  0.6975000      2.198000  
1 1 1 -14 6  4  o 6.891000 1.749000  -4.606000      3.498000  
1 1 1 -14 6  5  o 43.79000 0.5724000 0.5673000      1.145000  
1 1 1 -14 6  6  o 21.50000 0.9479000 -3.125000      1.896000  
1 1 1 -14 6  7  o 7.940000 1.988000  2.083000       3.976000  
1 1 1 -14 6  8  o 22.85000 0.9755000 -1.474000      1.951000  
1 1 1 -14 6  9  o 11.18000 1.906000  -1.575000      3.812000  
1 1 1 -14 6  10 o 15.65000 1.403000  2.695000       2.806000  
1 1 1 -14 6  11 o 12.52000 2.369000  4.503000       4.738000  
1 1 1 -14 6  12 o 6.473000 1.950000  -0.8550000     3.900000  
1 1 1 -14 6  13 o 8.453000 2.377000  1.848000       4.754000  
1 1 1 -14 6  14 o 8.064000 2.416000  0.9356000      4.832000  
1 1 1 -14 6  15 o 14.92000 2.222000  7.295000       4.444000  
1 1 1 -14 6  16 o 11.79000 2.561000  3.097000       5.121000  
1 1 1 -14 6  17 o 19.47000 2.099000  -1.778000      4.198000  
1 1 1 -14 6  18 o 19.72000 2.278000  -8.942000      4.557000  
1 1 1 -14 6  19 o 15.62000 2.320000  -0.6569000     4.640000  
1 1 1 -14 6  20 o 7.112000 2.324000  2.817000       4.648000  
1 1 1 -14 6  21 o 7.049000 2.382000  5.626000       4.764000  
1 1 1 -14 6  22 o 5.428000 2.570000  ?              ?         
1 1 1 -14 6  23 o 5.874000 2.742000  ?              ?         
1 1 1 -14 6  24 o 6.544000 2.971000  ?              ?         
1 1 1 -14 7  1  o 20.42000 1.132000  5.769000       2.264000  
1 1 1 -14 7  2  o 32.70000 0.7265000 2.849000       1.453000  
1 1 1 -14 7  3  o 24.62000 0.7860000 -1.818000      1.572000  
1 1 1 -14 7  4  o 34.68000 0.5930000 0.8489000      1.186000  
1 1 1 -14 7  5  o 59.89000 0.6426000 0.8800000      1.285000  
1 1 1 -14 7  6  o 20.55000 0.8537000 1.188000       1.707000  
1 1 1 -14 7  7  o 15.12000 1.249000  0.5959000      2.499000  
1 1 1 -14 7  8  o 6.908000 1.880000  -0.4074000     3.760000  
1 1 1 -14 7  9  o 16.22000 1.189000  -0.9267000     2.379000  
1 1 1 -14 7  10 o 47.91000 0.7804000 -1.998000      1.561000  
1 1 1 -14 7  11 o 6.214000 1.953000  0.6900000      3.907000  
1 1 1 -14 7  12 o 22.66000 1.527000  1.770000       3.054000  
1 1 1 -14 7  13 o 20.77000 1.726000  -2.458000      3.452000  
1 1 1 -14 7  14 o 10.54000 2.346000  0.8325000      4.692000  
1 1 1 -14 7  15 o 6.512000 2.157000  3.040000       4.314000  
1 1 1 -14 7  16 o 23.17000 1.529000  -0.9499000     3.058000  
1 1 1 -14 7  17 o 13.00000 2.226000  -5.876000      4.452000  
1 1 1 -14 7  18 o 10.57000 2.513000  0.2770000      5.026000  
1 1 1 -14 7  19 o 9.384000 2.278000  -2.455000      4.557000  
1 1 1 -14 7  20 o 4.492000 2.160000  ?              ?         
1 1 1 -14 7  21 o 8.584000 3.160000  ?              ?         
1 1 1 -14 8  1  o 28.79000 0.8109000 -0.9355000     1.622000  
1 1 1 -14 8  2  o 33.71000 0.6233000 0.8400000      1.247000  
1 1 1 -14 8  3  o 7.229000 1.839000  -0.6012000     3.678000  
1 1 1 -14 8  4  o 32.56000 0.5622000 -0.7668000     1.124000  
1 1 1 -14 8  5  o 26.35000 0.6362000 -0.6940000E-01 1.272000  
1 1 1 -14 8  6  o 7.320000 1.690000  2.710000       3.380000  
1 1 1 -14 8  7  o 10.73000 1.383000  6.796000       2.766000  
1 1 1 -14 8  8  o 11.55000 2.074000  0.4993000      4.148000  
1 1 1 -14 8  9  o 9.854000 2.043000  -2.025000      4.087000  
1 1 1 -14 8  10 o 10.40000 2.072000  -2.197000      4.145000  
1 1 1 -14 8  11 o 9.605000 2.086000  -0.6231000     4.171000  
1 1 1 -14 8  12 o 6.689000 2.130000  5.830000       4.260000  
1 1 1 -14 8  13 o 8.863000 2.231000  1.476000       4.463000  
1 1 1 -14 8  14 o 14.95000 2.174000  -5.019000      4.348000  
1 1 1 -14 8  15 o 11.61000 2.286000  -0.5224000     4.573000  
1 1 1 -14 8  16 o 8.078000 2.384000  4.994000       4.768000  
1 1 1 -14 8  17 o 6.915000 2.124000  -0.6850000E-01 4.248000  
1 1 1 -14 8  18 o 10.02000 2.885000  6.681000       5.770000  
1 1 1 -14 9  1  o 6.390000 1.832000  3.677000       3.664000  
1 1 1 -14 9  2  o 18.23000 0.9909000 -0.4653000     1.982000  
1 1 1 -14 9  3  o 10.37000 1.570000  0.1894000      3.140000  
1 1 1 -14 9  4  o 45.37000 0.5012000 -1.227000      1.002000  
1 1 1 -14 9  5  o 40.46000 0.8235000 -1.713000      1.647000  
1 1 1 -14 9  6  o 22.97000 1.659000  -0.2688000     3.318000  
1 1 1 -14 9  7  o 16.54000 2.292000  1.637000       4.585000  
1 1 1 -14 9  8  o 8.615000 2.571000  -0.5652000     5.143000  
1 1 1 -14 9  9  o 21.12000 1.909000  3.249000       3.819000  
1 1 1 -14 9  10 o 18.58000 2.482000  3.337000       4.964000  
1 1 1 -14 9  11 o 7.122000 3.407000  ?              ?         
1 1 1 -14 9  12 o 9.650000 1.934000  -3.423000      3.868000  
1 1 1 -14 9  13 o 10.32000 1.888000  -5.489000      3.776000  
1 1 1 -14 9  14 o 9.507000 2.849000  2.781000       5.698000  
1 1 1 -14 9  15 o 7.116000 2.436000  0.5635000      4.871000  
1 1 1 -14 9  16 o 14.45000 4.349000  ?              ?         
1 1 1 -14 10 1  o 18.45000 1.095000  -0.1568000     2.189000  
1 1 1 -14 10 2  o 17.22000 0.9800000 0.5032000E-01  1.960000  
1 1 1 -14 10 3  o 7.807000 1.534000  -5.169000      3.069000  
1 1 1 -14 10 4  o 26.66000 1.479000  5.136000       2.958000  
1 1 1 -14 10 5  o 24.35000 1.553000  -2.091000      3.106000  
1 1 1 -14 10 6  o 10.59000 2.663000  4.781000       5.326000  
1 1 1 -14 10 7  o 7.641000 2.432000  1.592000       4.864000  
1 1 1 -14 10 8  o 9.224000 2.413000  -6.470000      4.825000  
1 1 1 -14 10 9  o 8.895000 2.607000  -2.952000      5.215000  
1 1 1 -14 10 10 o 8.454000 2.572000  -2.682000      5.144000  
1 1 1 -14 10 11 o 9.886000 2.510000  -7.273000      5.020000  
1 1 1 -14 10 12 o 9.409000 2.840000  -1.128000      5.680000  
1 1 1 -14 10 13 f 8.364000 2.732000  0.9862000      5.463000  
1 1 1 -14 10 14 o 12.16000 4.841000  ?              ?         
1 1 1 -14 11 1  o 16.86000 1.169000  -1.509000      2.337000  
1 1 1 -14 11 2  o 13.29000 1.840000  -3.109000      3.679000  
1 1 1 -14 11 3  o 14.32000 1.648000  -3.735000      3.295000  
1 1 1 -14 11 4  o 24.96000 1.554000  -1.987000      3.109000  
1 1 1 -14 11 5  o 18.76000 2.219000  2.558000       4.438000  
1 1 1 -14 11 6  o 8.242000 2.563000  1.061000       5.126000  
1 1 1 -14 11 7  o 6.138000 2.101000  1.054000       4.202000  
1 1 1 -14 11 8  o 12.63000 2.865000  -1.963000      5.731000  
1 1 1 -14 11 9  o 13.97000 2.637000  10.44000       5.275000  
1 1 1 -14 11 10 o 26.96000 2.480000  ?              ?         
1 1 1 -13 0  1  o 24.30000 1.372000  0.000000       0.000000  
1 1 1 -13 0  2  o 5.545000 3.296000  -0.000000      0.000000  
1 1 1 -13 0  4  o 98.65000 1.067000  -0.000000      0.000000  
1 1 1 -13 0  5  o 3.490000 2.430000  0.000000       0.000000  
1 1 1 -13 0  6  o 6.249000 3.521000  0.000000       0.000000  
1 1 1 -13 0  7  o 23.48000 1.520000  0.000000       0.000000  
1 1 1 -13 0  8  o 7.550000 3.834000  0.000000       0.000000  
1 1 1 -13 0  9  o 18.73000 2.092000  -0.000000      0.000000  
1 1 1 -13 0  10 o 14.98000 2.973000  -0.000000      0.000000  
1 1 1 -13 0  11 f 3.571000 2.545000  -0.000000      0.000000  
1 1 1 -13 0  12 o 27.76000 1.606000  0.000000       0.000000  
1 1 1 -13 0  13 o 6.979000 3.965000  0.000000       0.000000  
1 1 1 -13 0  14 o 5.343000 3.471000  0.000000       0.000000  
1 1 1 -13 0  15 f 3.644000 2.603000  -0.000000      0.000000  
1 1 1 -13 0  16 o 26.70000 1.865000  0.000000       0.000000  
1 1 1 -13 0  17 o 4.088000 2.884000  0.000000       0.000000  
1 1 1 -13 0  18 o 7.645000 4.118000  0.000000       0.000000  
1 1 1 -13 0  19 o 6.917000 3.994000  -0.000000      0.000000  
1 1 1 -13 0  20 o 6.886000 4.034000  0.000000       0.000000  
1 1 1 -13 0  21 o 5.270000 3.452000  -0.000000      0.000000  
1 1 1 -13 0  22 o 6.498000 3.910000  0.000000       0.000000  
1 1 1 -13 0  23 o 4.029000 2.824000  -0.000000      0.000000  
1 1 1 -13 0  24 f 4.704000 3.190000  0.000000       0.000000  
1 1 1 -13 0  25 o 6.048000 3.812000  0.000000       0.000000  
1 1 1 -13 0  26 o 5.331000 3.547000  -0.000000      0.000000  
1 1 1 -13 0  27 o 4.810000 3.327000  0.000000       0.000000  
1 1 1 -13 1  1  o 11.55000 2.040000  -1.642000      4.080000  
1 1 1 -13 1  2  o 11.57000 1.979000  -1.369000      3.959000  
1 1 1 -13 1  3  o 62.58000 0.6155000 1.812000       1.231000  
1 1 1 -13 1  4  o 95.15000 0.7337000 1.608000       1.467000  
1 1 1 -13 1  5  o 55.31000 0.5965000 -1.581000      1.193000  
1 1 1 -13 1  6  o 76.66000 0.6411000 1.504000       1.282000  
1 1 1 -13 1  7  o 79.99000 0.6647000 -0.1251000E-01 1.329000  
1 1 1 -13 1  8  o 21.89000 1.207000  -2.264000      2.415000  
1 1 1 -13 1  9  o 22.65000 1.207000  0.9856000      2.414000  
1 1 1 -13 1  10 o 11.41000 2.304000  0.6566000      4.608000  
1 1 1 -13 1  11 o 18.45000 1.639000  -0.7037000     3.279000  
1 1 1 -13 1  12 o 13.32000 2.197000  4.087000       4.393000  
1 1 1 -13 1  13 o 20.87000 1.564000  -3.558000      3.129000  
1 1 1 -13 1  14 o 49.69000 0.8715000 1.438000       1.743000  
1 1 1 -13 1  15 o 31.32000 1.066000  1.529000       2.133000  
1 1 1 -13 1  16 o 14.70000 2.333000  2.666000       4.666000  
1 1 1 -13 1  17 o 11.19000 2.603000  -0.2180000     5.206000  
1 1 1 -13 1  18 o 15.60000 2.388000  -2.372000      4.776000  
1 1 1 -13 1  19 o 11.10000 2.218000  -7.332000      4.436000  
1 1 1 -13 1  20 o 20.14000 1.662000  1.566000       3.325000  
1 1 1 -13 1  21 o 14.31000 2.346000  6.111000       4.691000  
1 1 1 -13 1  22 o 10.48000 2.399000  4.944000       4.797000  
1 1 1 -13 1  23 o 6.538000 2.133000  1.140000       4.267000  
1 1 1 -13 1  24 o 8.371000 2.375000  -3.777000      4.749000  
1 1 1 -13 1  25 o 8.213000 2.381000  2.841000       4.761000  
1 1 1 -13 1  26 o 6.797000 2.177000  2.670000       4.353000  
1 1 1 -13 1  27 o 5.626000 1.947000  0.7560000      3.894000  
1 1 1 -13 2  1  o 57.39000 0.5894000 -1.483000      1.179000  
1 1 1 -13 2  2  f 59.54000 0.6052000 -2.402000      1.210000  
1 1 1 -13 2  3  o 31.04000 0.8033000 1.803000       1.607000  
1 1 1 -13 2  4  o 101.9000 0.7688000 1.635000       1.538000  
1 1 1 -13 2  5  o 30.04000 0.8175000 -1.792000      1.635000  
1 1 1 -13 2  6  o 84.55000 0.6738000 1.395000       1.348000  
1 1 1 -13 2  7  o 31.86000 0.7721000 -0.3352000     1.544000  
1 1 1 -13 2  8  o 29.13000 0.8992000 1.573000       1.798000  
1 1 1 -13 2  9  o 19.08000 1.426000  -0.4138000     2.853000  
1 1 1 -13 2  10 o 15.14000 1.913000  -2.673000      3.827000  
1 1 1 -13 2  11 o 17.76000 1.621000  2.074000       3.242000  
1 1 1 -13 2  12 o 23.28000 1.314000  2.065000       2.627000  
1 1 1 -13 2  13 o 23.00000 1.383000  -4.232000      2.766000  
1 1 1 -13 2  14 f 16.50000 1.985000  5.390000       3.970000  
1 1 1 -13 2  15 o 8.049000 2.346000  -0.9788000E-02 4.691000  
1 1 1 -13 2  16 o 17.81000 2.087000  6.824000       4.175000  
1 1 1 -13 2  17 o 14.65000 2.454000  -3.639000      4.909000  
1 1 1 -13 2  18 o 10.04000 2.632000  1.121000       5.264000  
1 1 1 -13 2  19 f 19.83000 2.165000  -6.768000      4.330000  
1 1 1 -13 2  20 o 9.112000 2.314000  -5.635000      4.628000  
1 1 1 -13 2  21 o 6.637000 2.173000  1.118000       4.345000  
1 1 1 -13 2  22 o 6.638000 2.163000  0.5641000      4.326000  
1 1 1 -13 2  23 o 7.717000 2.313000  -1.253000      4.626000  
1 1 1 -13 2  24 o 5.365000 1.860000  -0.5198000     3.720000  
1 1 1 -13 2  25 o 9.069000 2.454000  -3.550000      4.909000  
1 1 1 -13 2  26 o 9.135000 2.565000  2.931000       5.131000  
1 1 1 -13 3  1  o 31.39000 0.7179000 -0.8658000     1.436000  
1 1 1 -13 3  2  f 26.87000 0.9014000 0.6025000      1.803000  
1 1 1 -13 3  3  o 26.85000 0.8065000 -1.459000      1.613000  
1 1 1 -13 3  4  o 37.40000 0.6647000 -3.068000      1.329000  
1 1 1 -13 3  5  o 92.22000 0.8947000 2.541000       1.789000  
1 1 1 -13 3  6  o 71.94000 0.7759000 0.5357000      1.552000  
1 1 1 -13 3  7  o 64.07000 0.7760000 -0.8406000     1.552000  
1 1 1 -13 3  8  o 44.52000 0.6670000 -0.5487000     1.334000  
1 1 1 -13 3  9  o 18.95000 1.374000  -2.500000      2.749000  
1 1 1 -13 3  10 o 61.25000 0.6423000 1.042000       1.285000  
1 1 1 -13 3  11 o 66.17000 0.6581000 -1.749000      1.316000  
1 1 1 -13 3  12 o 42.01000 0.7592000 -0.2288000     1.518000  
1 1 1 -13 3  13 o 54.00000 0.6883000 -1.635000      1.377000  
1 1 1 -13 3  14 o 32.61000 0.9844000 1.147000       1.969000  
1 1 1 -13 3  15 o 37.04000 1.080000  -2.165000      2.160000  
1 1 1 -13 3  16 o 36.81000 1.163000  -4.643000      2.326000  
1 1 1 -13 3  17 o 23.72000 1.687000  0.3609000      3.374000  
1 1 1 -13 3  18 f 13.07000 2.294000  -7.376000      4.587000  
1 1 1 -13 3  19 o 6.348000 2.132000  0.5159000      4.263000  
1 1 1 -13 3  20 o 8.457000 2.430000  -1.415000      4.860000  
1 1 1 -13 3  21 o 7.347000 2.274000  0.3547000      4.547000  
1 1 1 -13 3  22 o 8.275000 2.429000  1.625000       4.858000  
1 1 1 -13 3  23 o 6.731000 2.183000  0.9423000      4.365000  
1 1 1 -13 3  24 o 6.499000 2.125000  -1.157000      4.250000  
1 1 1 -13 3  25 o 8.060000 2.375000  2.917000       4.750000  
1 1 1 -13 3  26 o 8.641000 2.485000  -3.498000      4.971000  
1 1 1 -13 4  1  o 55.13000 0.5884000 0.3045000      1.177000  
1 1 1 -13 4  2  o 91.32000 0.8971000 2.525000       1.794000  
1 1 1 -13 4  3  f 33.35000 0.6807000 -0.4345000     1.361000  
1 1 1 -13 4  4  o 40.70000 0.6092000 2.528000       1.218000  
1 1 1 -13 4  5  o 21.23000 1.057000  0.2073000      2.115000  
1 1 1 -13 4  6  o 21.11000 1.037000  -0.2983000     2.074000  
1 1 1 -13 4  7  o 19.79000 1.084000  -0.7196000     2.169000  
1 1 1 -13 4  8  o 10.84000 1.990000  3.143000       3.979000  
1 1 1 -13 4  9  o 19.02000 1.250000  3.301000       2.500000  
1 1 1 -13 4  10 o 25.71000 1.041000  5.564000       2.082000  
1 1 1 -13 4  11 o 33.24000 0.8349000 1.612000       1.670000  
1 1 1 -13 4  12 o 16.38000 1.716000  5.282000       3.431000  
1 1 1 -13 4  13 o 6.468000 2.094000  0.8454000      4.188000  
1 1 1 -13 4  14 o 8.021000 2.360000  0.6847000      4.720000  
1 1 1 -13 4  15 o 20.22000 1.847000  2.041000       3.693000  
1 1 1 -13 4  16 o 8.076000 2.445000  6.333000       4.891000  
1 1 1 -13 4  17 o 14.86000 2.499000  0.8142000      4.999000  
1 1 1 -13 4  18 o 24.15000 1.753000  -1.629000      3.507000  
1 1 1 -13 4  19 o 13.30000 2.494000  -2.970000      4.989000  
1 1 1 -13 4  20 o 21.91000 1.617000  7.445000       3.235000  
1 1 1 -13 4  21 o 12.77000 2.354000  -5.848000      4.709000  
1 1 1 -13 4  22 o 7.832000 2.290000  2.838000       4.581000  
1 1 1 -13 4  23 o 7.063000 2.246000  0.7628000      4.492000  
1 1 1 -13 4  24 o 7.387000 2.281000  4.222000       4.562000  
1 1 1 -13 4  25 o 7.597000 2.458000  2.562000       4.916000  
1 1 1 -13 4  26 o 11.40000 3.642000  ?              ?         
1 1 1 -13 5  1  o 30.35000 0.9814000 -1.360000      1.963000  
1 1 1 -13 5  2  o 41.36000 0.5996000 1.354000       1.199000  
1 1 1 -13 5  3  o 18.90000 1.104000  -1.688000      2.208000  
1 1 1 -13 5  4  o 46.89000 0.5761000 0.5246000E-01  1.152000  
1 1 1 -13 5  5  o 43.57000 0.5943000 -0.3555000     1.189000  
1 1 1 -13 5  6  o 37.49000 0.6454000 1.295000       1.291000  
1 1 1 -13 5  7  o 23.98000 0.9323000 1.471000       1.865000  
1 1 1 -13 5  8  o 7.958000 1.902000  -3.385000      3.805000  
1 1 1 -13 5  9  o 12.12000 1.860000  2.273000       3.720000  
1 1 1 -13 5  10 o 48.17000 0.6070000 1.144000       1.214000  
1 1 1 -13 5  11 o 9.255000 2.132000  -0.9576000     4.263000  
1 1 1 -13 5  12 o 49.16000 0.8900000 -2.256000      1.780000  
1 1 1 -13 5  13 o 22.90000 1.581000  -0.7874000     3.161000  
1 1 1 -13 5  14 o 14.32000 2.241000  -1.828000      4.482000  
1 1 1 -13 5  15 o 21.43000 1.807000  0.5925000      3.615000  
1 1 1 -13 5  16 o 56.62000 0.8656000 -2.154000      1.731000  
1 1 1 -13 5  17 o 21.32000 1.890000  -0.6817000     3.781000  
1 1 1 -13 5  18 o 36.16000 1.171000  -3.542000      2.342000  
1 1 1 -13 5  19 o 25.23000 1.542000  -3.441000      3.085000  
1 1 1 -13 5  20 o 13.34000 2.431000  -4.106000      4.863000  
1 1 1 -13 5  21 o 9.026000 2.224000  -3.957000      4.448000  
1 1 1 -13 5  22 o 7.130000 2.261000  0.5182000      4.523000  
1 1 1 -13 5  23 o 7.868000 2.254000  -2.697000      4.508000  
1 1 1 -13 5  24 o 5.689000 2.717000  ?              ?         
1 1 1 -13 5  25 o 8.281000 3.365000  ?              ?         
1 1 1 -13 5  26 o 7.237000 3.220000  ?              ?         
1 1 1 -13 6  1  o 24.64000 0.9508000 0.3131000      1.902000  
1 1 1 -13 6  2  o 39.58000 0.6154000 0.6998000      1.231000  
1 1 1 -13 6  3  o 81.66000 0.8829000 -1.160000      1.766000  
1 1 1 -13 6  4  o 50.80000 0.5577000 1.246000       1.115000  
1 1 1 -13 6  5  o 16.70000 1.160000  0.3047000      2.320000  
1 1 1 -13 6  6  o 5.394000 1.705000  -0.5547000     3.410000  
1 1 1 -13 6  7  o 24.74000 0.8694000 -1.645000      1.739000  
1 1 1 -13 6  8  o 27.12000 0.8337000 -1.887000      1.667000  
1 1 1 -13 6  9  o 26.02000 0.8277000 3.365000       1.655000  
1 1 1 -13 6  10 o 9.669000 2.400000  3.578000       4.799000  
1 1 1 -13 6  11 o 13.13000 2.220000  7.354000       4.439000  
1 1 1 -13 6  12 o 13.32000 2.214000  -3.386000      4.427000  
1 1 1 -13 6  13 o 11.42000 2.307000  7.047000       4.615000  
1 1 1 -13 6  14 o 9.189000 2.521000  6.974000       5.041000  
1 1 1 -13 6  15 o 19.52000 2.174000  -6.598000      4.347000  
1 1 1 -13 6  16 o 8.069000 2.377000  0.9068000      4.753000  
1 1 1 -13 6  17 o 12.17000 2.138000  -7.376000      4.276000  
1 1 1 -13 6  18 o 18.41000 2.185000  -5.846000      4.371000  
1 1 1 -13 6  19 o 7.568000 2.262000  -0.7958000     4.525000  
1 1 1 -13 6  20 o 8.642000 2.342000  -1.310000      4.684000  
1 1 1 -13 6  21 o 9.361000 2.511000  0.3245000      5.022000  
1 1 1 -13 6  22 o 9.038000 2.514000  -2.515000      5.029000  
1 1 1 -13 6  23 o 5.717000 2.695000  ?              ?         
1 1 1 -13 6  24 o 6.431000 2.936000  ?              ?         
1 1 1 -13 6  25 o 6.903000 3.093000  ?              ?         
1 1 1 -13 7  1  o 24.59000 0.9396000 -3.470000      1.879000  
1 1 1 -13 7  2  o 39.19000 0.5983000 2.060000       1.197000  
1 1 1 -13 7  3  o 26.56000 0.7274000 -1.189000      1.455000  
1 1 1 -13 7  4  o 53.06000 0.5426000 0.5804000      1.085000  
1 1 1 -13 7  5  o 22.32000 0.7856000 1.097000       1.571000  
1 1 1 -13 7  6  o 10.81000 1.590000  -3.468000      3.179000  
1 1 1 -13 7  7  o 27.25000 0.7133000 -2.906000      1.427000  
1 1 1 -13 7  8  o 18.72000 1.050000  4.457000       2.100000  
1 1 1 -13 7  9  o 34.86000 0.9553000 -0.5891000     1.911000  
1 1 1 -13 7  10 o 8.803000 1.906000  -3.157000      3.812000  
1 1 1 -13 7  11 o 9.361000 2.300000  2.995000       4.601000  
1 1 1 -13 7  12 o 7.421000 2.184000  6.675000       4.368000  
1 1 1 -13 7  13 o 16.23000 2.065000  -2.441000      4.131000  
1 1 1 -13 7  14 o 9.610000 2.271000  -1.722000      4.541000  
1 1 1 -13 7  15 o 18.02000 2.196000  -1.760000      4.392000  
1 1 1 -13 7  16 o 36.40000 1.093000  0.2395000      2.186000  
1 1 1 -13 7  17 o 6.877000 2.239000  3.024000       4.478000  
1 1 1 -13 7  18 o 11.85000 2.451000  -0.5274000     4.903000  
1 1 1 -13 7  19 o 6.353000 2.125000  2.437000       4.250000  
1 1 1 -13 7  20 o 12.35000 2.541000  2.237000       5.082000  
1 1 1 -13 7  21 o 11.02000 2.748000  ?              ?         
1 1 1 -13 7  22 o 7.762000 3.078000  ?              ?         
1 1 1 -13 7  23 o 4.721000 2.322000  ?              ?         
1 1 1 -13 7  24 o 6.004000 2.801000  ?              ?         
1 1 1 -13 8  1  o 90.88000 0.7098000 -0.9868000     1.420000  
1 1 1 -13 8  2  o 71.84000 0.6038000 -0.7965000     1.208000  
1 1 1 -13 8  3  o 24.17000 0.7243000 0.7896000E-01  1.449000  
1 1 1 -13 8  4  o 36.69000 0.5595000 0.3569000      1.119000  
1 1 1 -13 8  5  f 37.28000 0.5031000 0.1589000      1.006000  
1 1 1 -13 8  6  o 32.70000 0.9600000 -1.765000      1.920000  
1 1 1 -13 8  7  o 16.71000 2.429000  -0.1061000     4.858000  
1 1 1 -13 8  8  o 30.97000 1.354000  -2.125000      2.708000  
1 1 1 -13 8  9  o 38.09000 0.8846000 0.4758000E-01  1.769000  
1 1 1 -13 8  10 o 18.53000 1.470000  3.107000       2.940000  
1 1 1 -13 8  11 o 9.264000 2.221000  1.741000       4.442000  
1 1 1 -13 8  12 o 11.46000 2.189000  -2.837000      4.379000  
1 1 1 -13 8  13 o 8.725000 2.416000  2.892000       4.832000  
1 1 1 -13 8  14 o 8.743000 2.368000  1.757000       4.736000  
1 1 1 -13 8  15 o 14.56000 2.247000  0.6640000      4.493000  
1 1 1 -13 8  16 o 8.165000 2.415000  -0.2571000E-01 4.829000  
1 1 1 -13 8  17 o 19.48000 2.137000  -3.332000      4.273000  
1 1 1 -13 8  18 o 12.43000 2.322000  -3.788000      4.645000  
1 1 1 -13 8  19 o 5.062000 1.757000  0.4866000      3.514000  
1 1 1 -13 8  20 o 9.393000 2.951000  ?              ?         
1 1 1 -13 8  21 o 7.725000 2.960000  ?              ?         
1 1 1 -13 8  22 o 4.322000 2.146000  ?              ?         
1 1 1 -13 9  1  o 39.39000 0.6275000 -2.661000      1.255000  
1 1 1 -13 9  2  f 20.59000 0.8834000 1.089000       1.767000  
1 1 1 -13 9  3  o 18.16000 0.8288000 -1.363000      1.658000  
1 1 1 -13 9  4  o 18.63000 1.724000  -3.066000      3.449000  
1 1 1 -13 9  5  o 32.88000 1.244000  -1.381000      2.487000  
1 1 1 -13 9  7  o 17.15000 2.355000  1.317000       4.711000  
1 1 1 -13 9  8  o 10.67000 2.727000  3.091000       5.454000  
1 1 1 -13 9  9  o 21.57000 2.013000  6.008000       4.025000  
1 1 1 -13 9  10 o 12.18000 2.874000  -3.151000      5.747000  
1 1 1 -13 9  11 o 13.28000 2.811000  4.612000       5.622000  
1 1 1 -13 9  12 o 38.99000 0.8679000 -1.064000      1.736000  
1 1 1 -13 9  13 o 23.64000 1.420000  -1.639000      2.841000  
1 1 1 -13 9  14 o 15.06000 1.985000  3.619000       3.969000  
1 1 1 -13 9  15 o 10.11000 2.021000  -4.220000      4.042000  
1 1 1 -13 9  16 o 26.69000 1.806000  -5.528000      3.612000  
1 1 1 -13 9  17 o 24.92000 1.155000  ?              ?         
1 1 1 -13 9  18 o 13.03000 2.454000  ?              ?         
1 1 1 -13 10 1  o 26.11000 0.7954000 -1.642000      1.591000  
1 1 1 -13 10 2  o 24.28000 0.7356000 -1.369000      1.471000  
1 1 1 -13 10 3  o 7.707000 2.026000  -3.079000      4.052000  
1 1 1 -13 10 4  o 43.49000 1.012000  -3.016000      2.025000  
1 1 1 -13 10 5  o 42.40000 1.034000  1.008000       2.067000  
1 1 1 -13 10 6  o 12.49000 2.584000  -3.587000      5.168000  
1 1 1 -13 10 7  o 22.40000 1.897000  -5.454000      3.794000  
1 1 1 -13 10 8  o 20.64000 2.221000  -6.590000      4.441000  
1 1 1 -13 10 9  o 12.51000 2.768000  -3.000000      5.536000  
1 1 1 -13 10 10 o 8.628000 2.523000  4.555000       5.045000  
1 1 1 -13 10 11 o 9.005000 2.669000  0.6874000      5.337000  
1 1 1 -13 10 12 o 8.836000 2.623000  -3.562000      5.245000  
1 1 1 -13 10 13 o 5.358000 1.791000  2.004000       3.581000  
1 1 1 -13 10 14 o 5.440000 1.807000  1.111000       3.614000  
1 1 1 -13 10 15 o 11.38000 3.038000  -0.9111000     6.077000  
1 1 1 -13 11 1  o 7.496000 2.138000  -2.675000      4.275000  
1 1 1 -13 11 2  o 8.135000 2.074000  -5.491000      4.148000  
1 1 1 -13 11 3  o 14.43000 2.297000  9.165000       4.595000  
1 1 1 -13 11 4  o 29.15000 1.433000  -2.448000      2.865000  
1 1 1 -13 11 5  o 29.34000 1.281000  0.3399000      2.562000  
1 1 1 -13 11 6  o 25.50000 1.498000  -2.170000      2.996000  
1 1 1 -13 11 7  o 6.987000 2.283000  1.396000       4.567000  
1 1 1 -13 11 8  o 15.37000 2.658000  -2.147000      5.315000  
1 1 1 -13 11 9  o 32.44000 1.371000  -2.925000      2.742000  
1 1 1 -13 11 10 o 18.49000 2.407000  -0.3421000     4.815000  
1 1 1 -13 11 11 o 13.42000 2.886000  2.679000       5.773000  
1 1 1 -13 11 12 o 14.38000 2.903000  -0.8597000     5.806000  
1 1 1 -13 11 13 o 9.136000 3.965000  ?              ?         
1 1 1 -13 12 1  o 17.81000 1.441000  -1.551000      2.882000  
1 1 1 -13 12 2  o 6.896000 1.824000  0.9697000E-01  3.648000  
1 1 1 -13 12 3  o 15.67000 2.458000  -0.7811000     4.915000  
1 1 1 -13 12 4  o 13.76000 2.690000  -1.579000      5.381000  
1 1 1 -13 12 5  o 10.67000 2.725000  4.710000       5.449000  
1 1 1 -13 12 6  o 10.26000 2.716000  2.120000       5.431000  
1 1 1 -13 12 7  o 11.92000 2.522000  -7.444000      5.043000  
1 1 1 -13 12 8  o 9.644000 2.777000  2.080000       5.553000  
1 1 1 -13 12 9  o 18.27000 3.459000  ?              ?         
1 1 1 -12 0  1  o 20.22000 1.541000  -0.000000      0.000000  
1 1 1 -12 0  2  o 248.4000 2.479000  -0.000000      0.000000  
1 1 1 -12 0  3  o 179.2000 1.799000  -0.000000      0.000000  
1 1 1 -12 0  4  o 3.904000 2.617000  -0.000000      0.000000  
1 1 1 -12 0  5  o 79.28000 0.8995000 0.000000       0.000000  
1 1 1 -12 0  6  o 231.7000 2.314000  -0.000000      0.000000  
1 1 1 -12 0  7  o 36.73000 0.9623000 -0.000000      0.000000  
1 1 1 -12 0  8  o 58.27000 0.8668000 0.000000       0.000000  
1 1 1 -12 0  9  o 12.09000 3.446000  -0.000000      0.000000  
1 1 1 -12 0  10 o 57.77000 0.9237000 -0.000000      0.000000  
1 1 1 -12 0  11 o 47.09000 1.002000  -0.000000      0.000000  
1 1 1 -12 0  12 o 4.251000 2.905000  -0.000000      0.000000  
1 1 1 -12 0  13 o 15.59000 3.231000  -0.000000      0.000000  
1 1 1 -12 0  14 o 9.876000 4.462000  -0.000000      0.000000  
1 1 1 -12 0  15 o 4.294000 2.998000  0.000000       0.000000  
1 1 1 -12 0  16 o 28.60000 1.642000  -0.000000      0.000000  
1 1 1 -12 0  17 o 7.918000 4.203000  0.000000       0.000000  
1 1 1 -12 0  18 o 13.77000 3.994000  -0.000000      0.000000  
1 1 1 -12 0  19 o 20.01000 2.620000  -0.000000      0.000000  
1 1 1 -12 0  20 o 12.70000 4.294000  0.000000       0.000000  
1 1 1 -12 0  21 o 3.508000 2.543000  -0.000000      0.000000  
1 1 1 -12 0  22 o 6.533000 3.969000  0.000000       0.000000  
1 1 1 -12 0  23 o 9.606000 4.361000  0.000000       0.000000  
1 1 1 -12 0  24 o 5.209000 3.408000  0.000000       0.000000  
1 1 1 -12 0  25 o 10.46000 4.542000  0.000000       0.000000  
1 1 1 -12 0  26 o 5.490000 3.582000  -0.000000      0.000000  
1 1 1 -12 0  27 o 4.379000 3.077000  0.000000       0.000000  
1 1 1 -12 1  1  f 43.98000 0.5906000 0.2607000      1.181000  
1 1 1 -12 1  2  o 35.91000 0.6574000 3.183000       1.315000  
1 1 1 -12 1  3  o 34.83000 0.6787000 0.2886000      1.357000  
1 1 1 -12 1  4  o 18.11000 1.177000  1.294000       2.354000  
1 1 1 -12 1  5  o 21.75000 0.9790000 0.5950000      1.958000  
1 1 1 -12 1  6  o 52.31000 0.5710000 -0.9118000     1.142000  
1 1 1 -12 1  7  o 25.91000 0.8965000 0.7261000      1.793000  
1 1 1 -12 1  8  o 9.038000 2.060000  4.837000       4.120000  
1 1 1 -12 1  9  o 13.19000 1.979000  3.894000       3.959000  
1 1 1 -12 1  10 o 59.47000 0.6399000 -0.1514000     1.280000  
1 1 1 -12 1  11 o 71.95000 0.6710000 -0.1593000     1.342000  
1 1 1 -12 1  12 o 7.264000 2.222000  -0.6861000     4.444000  
1 1 1 -12 1  13 o 22.97000 1.371000  2.028000       2.742000  
1 1 1 -12 1  14 o 32.21000 1.073000  -2.944000      2.146000  
1 1 1 -12 1  15 o 22.61000 1.520000  -0.9212000     3.039000  
1 1 1 -12 1  16 o 9.047000 2.489000  -0.9020000     4.978000  
1 1 1 -12 1  17 o 19.01000 2.093000  -3.678000      4.185000  
1 1 1 -12 1  18 o 18.10000 1.953000  -4.536000      3.905000  
1 1 1 -12 1  19 o 28.98000 1.224000  -2.196000      2.447000  
1 1 1 -12 1  20 o 6.481000 2.132000  0.2721000      4.264000  
1 1 1 -12 1  21 o 11.79000 2.536000  2.699000       5.072000  
1 1 1 -12 1  22 f 7.306000 2.281000  1.141000       4.563000  
1 1 1 -12 1  23 o 8.580000 2.392000  0.1108000      4.784000  
1 1 1 -12 1  24 o 6.883000 2.179000  -2.269000      4.358000  
1 1 1 -12 1  25 o 9.326000 2.438000  3.792000       4.877000  
1 1 1 -12 1  26 o 13.64000 2.501000  -0.7202000     5.003000  
1 1 1 -12 1  27 o 7.552000 2.349000  0.2305000      4.697000  
1 1 1 -12 2  1  o 26.51000 0.8123000 0.7124000      1.625000  
1 1 1 -12 2  2  o 130.0000 0.9427000 -0.1163000E-01 1.885000  
1 1 1 -12 2  3  o 92.81000 0.7087000 0.3086000      1.417000  
1 1 1 -12 2  4  f 78.94000 0.6364000 2.437000       1.273000  
1 1 1 -12 2  5  o 111.0000 0.8162000 -0.7992000     1.632000  
1 1 1 -12 2  6  o 91.26000 0.7000000 -1.474000      1.400000  
1 1 1 -12 2  7  o 92.44000 0.7153000 2.052000       1.431000  
1 1 1 -12 2  8  o 44.58000 0.6528000 -0.3967000E-03 1.306000  
1 1 1 -12 2  9  f 15.07000 1.781000  4.635000       3.561000  
1 1 1 -12 2  10 o 32.23000 0.8629000 0.7256000      1.726000  
1 1 1 -12 2  11 o 24.66000 1.150000  0.6516000      2.299000  
1 1 1 -12 2  12 o 47.38000 0.7385000 -0.5466000E-01 1.477000  
1 1 1 -12 2  13 o 33.05000 0.9924000 0.7211000      1.985000  
1 1 1 -12 2  14 o 24.45000 1.353000  -2.402000      2.706000  
1 1 1 -12 2  15 o 19.39000 1.835000  6.655000       3.671000  
1 1 1 -12 2  16 o 8.528000 2.487000  0.6834000      4.975000  
1 1 1 -12 2  17 o 8.800000 2.596000  4.118000       5.192000  
1 1 1 -12 2  18 o 22.57000 1.903000  -1.081000      3.805000  
1 1 1 -12 2  19 o 25.95000 1.650000  5.846000       3.300000  
1 1 1 -12 2  20 o 17.11000 2.057000  -3.596000      4.113000  
1 1 1 -12 2  21 o 6.297000 2.093000  0.7207000      4.186000  
1 1 1 -12 2  22 o 9.757000 2.545000  -1.858000      5.090000  
1 1 1 -12 2  23 f 8.700000 2.365000  -3.400000      4.730000  
1 1 1 -12 2  24 o 8.334000 2.363000  2.924000       4.726000  
1 1 1 -12 2  25 o 6.501000 2.108000  -1.845000      4.216000  
1 1 1 -12 2  26 o 4.650000 1.655000  0.4293000      3.309000  
1 1 1 -12 2  27 o 6.820000 2.277000  2.042000       4.553000  
1 1 1 -12 3  1  o 27.91000 0.7525000 -0.5221000E-01 1.505000  
1 1 1 -12 3  2  o 44.40000 0.5752000 -0.9460000     1.150000  
1 1 1 -12 3  3  o 24.13000 0.8473000 -0.2939000     1.695000  
1 1 1 -12 3  4  o 11.04000 1.772000  4.854000       3.544000  
1 1 1 -12 3  5  o 16.56000 1.269000  -5.675000      2.537000  
1 1 1 -12 3  6  o 39.17000 0.5966000 -0.4623000     1.193000  
1 1 1 -12 3  7  o 31.43000 0.7424000 0.2181000      1.485000  
1 1 1 -12 3  8  o 28.45000 0.8404000 -1.102000      1.681000  
1 1 1 -12 3  9  o 36.88000 1.064000  2.621000       2.128000  
1 1 1 -12 3  10 o 30.43000 1.181000  -0.8398000     2.363000  
1 1 1 -12 3  11 o 22.10000 1.279000  -3.314000      2.559000  
1 1 1 -12 3  12 f 40.05000 0.7830000 0.9813000      1.566000  
1 1 1 -12 3  13 o 33.00000 0.9918000 -1.287000      1.984000  
1 1 1 -12 3  14 o 26.60000 1.396000  0.2405000      2.793000  
1 1 1 -12 3  15 o 15.67000 2.378000  -4.880000      4.757000  
1 1 1 -12 3  16 o 25.92000 1.354000  1.296000       2.707000  
1 1 1 -12 3  17 o 7.869000 2.407000  1.762000       4.815000  
1 1 1 -12 3  18 o 13.37000 2.462000  -3.258000      4.923000  
1 1 1 -12 3  19 o 34.57000 1.162000  -0.5979000     2.325000  
1 1 1 -12 3  20 o 8.984000 2.320000  -5.031000      4.641000  
1 1 1 -12 3  21 f 17.56000 1.953000  0.2703000E-01  3.906000  
1 1 1 -12 3  22 o 7.488000 2.343000  1.206000       4.685000  
1 1 1 -12 3  23 o 17.44000 1.951000  -2.814000      3.903000  
1 1 1 -12 3  24 f 5.588000 1.899000  1.207000       3.797000  
1 1 1 -12 3  25 o 7.258000 2.261000  -0.1915000E-01 4.523000  
1 1 1 -12 3  26 o 8.190000 2.544000  0.2172000      5.088000  
1 1 1 -12 3  27 o 5.399000 2.634000  ?              ?         
1 1 1 -12 4  1  o 28.46000 0.7228000 0.5282000      1.446000  
1 1 1 -12 4  2  o 120.4000 0.8780000 1.465000       1.756000  
1 1 1 -12 4  3  o 60.12000 0.5492000 -0.2999000E-01 1.098000  
1 1 1 -12 4  4  o 71.22000 0.5980000 1.362000       1.196000  
1 1 1 -12 4  5  o 114.3000 0.8393000 1.610000       1.679000  
1 1 1 -12 4  6  o 58.74000 0.5660000 -1.596000      1.132000  
1 1 1 -12 4  7  o 42.95000 0.5936000 1.873000       1.187000  
1 1 1 -12 4  8  o 41.99000 0.6195000 2.765000       1.239000  
1 1 1 -12 4  9  o 72.33000 0.6378000 -1.519000      1.276000  
1 1 1 -12 4  10 o 62.40000 0.6202000 0.4594000      1.240000  
1 1 1 -12 4  11 o 17.91000 1.501000  -0.1607000     3.002000  
1 1 1 -12 4  12 f 31.73000 1.136000  1.891000       2.271000  
1 1 1 -12 4  13 o 9.206000 2.476000  0.7819000      4.951000  
1 1 1 -12 4  14 o 14.40000 2.409000  -0.1437000     4.818000  
1 1 1 -12 4  15 o 22.23000 1.748000  -2.036000      3.496000  
1 1 1 -12 4  16 o 11.55000 2.607000  3.080000       5.214000  
1 1 1 -12 4  17 o 12.56000 2.511000  -2.424000      5.021000  
1 1 1 -12 4  18 o 12.11000 2.312000  -5.859000      4.625000  
1 1 1 -12 4  19 o 14.80000 2.541000  -3.034000      5.082000  
1 1 1 -12 4  20 o 7.350000 2.338000  3.563000       4.676000  
1 1 1 -12 4  21 o 8.048000 2.377000  -0.5852000     4.755000  
1 1 1 -12 4  22 o 8.492000 2.421000  -1.179000      4.842000  
1 1 1 -12 4  23 o 11.10000 2.129000  -8.578000      4.259000  
1 1 1 -12 4  24 o 7.290000 2.270000  1.777000       4.539000  
1 1 1 -12 4  25 o 5.413000 1.872000  2.196000       3.744000  
1 1 1 -12 4  26 f 5.461000 2.651000  ?              ?         
1 1 1 -12 4  27 o 5.785000 2.785000  ?              ?         
1 1 1 -12 5  1  o 31.89000 0.7045000 -0.4102000     1.409000  
1 1 1 -12 5  2  o 20.52000 0.9984000 -0.1879000     1.997000  
1 1 1 -12 5  3  o 11.12000 1.692000  -0.3032000     3.384000  
1 1 1 -12 5  4  o 27.17000 0.8273000 0.2047000E-01  1.655000  
1 1 1 -12 5  5  o 34.38000 0.6357000 0.1980000      1.271000  
1 1 1 -12 5  6  o 57.88000 0.5598000 0.8502000      1.120000  
1 1 1 -12 5  7  o 27.75000 0.7596000 -3.571000      1.519000  
1 1 1 -12 5  8  o 50.13000 0.5787000 -2.674000      1.157000  
1 1 1 -12 5  9  o 63.62000 0.5983000 -0.9548000     1.197000  
1 1 1 -12 5  10 o 42.73000 0.8597000 -0.5503000     1.719000  
1 1 1 -12 5  11 o 21.96000 1.808000  -4.361000      3.617000  
1 1 1 -12 5  12 o 29.21000 1.272000  -2.743000      2.545000  
1 1 1 -12 5  13 o 13.54000 2.603000  0.8647000      5.205000  
1 1 1 -12 5  14 o 41.61000 0.9253000 -0.3046000     1.851000  
1 1 1 -12 5  15 o 32.46000 1.184000  4.179000       2.369000  
1 1 1 -12 5  16 o 14.93000 2.452000  -4.101000      4.905000  
1 1 1 -12 5  17 o 40.80000 1.096000  -2.989000      2.193000  
1 1 1 -12 5  18 o 23.01000 1.728000  1.514000       3.456000  
1 1 1 -12 5  19 o 10.71000 2.591000  -0.3853000     5.182000  
1 1 1 -12 5  20 o 17.75000 2.296000  -4.341000      4.593000  
1 1 1 -12 5  21 o 8.845000 2.459000  -0.8714000     4.919000  
1 1 1 -12 5  22 o 7.098000 2.208000  0.3515000      4.417000  
1 1 1 -12 5  23 o 10.33000 2.486000  0.9275000      4.971000  
1 1 1 -12 5  24 o 7.257000 2.278000  -1.599000      4.556000  
1 1 1 -12 5  25 o 6.801000 3.062000  ?              ?         
1 1 1 -12 5  26 o 7.571000 3.275000  ?              ?         
1 1 1 -12 6  1  o 64.09000 0.6041000 -0.8981000E-01 1.208000  
1 1 1 -12 6  2  o 35.99000 0.6112000 0.6157000      1.222000  
1 1 1 -12 6  3  o 53.54000 0.5413000 0.7780000      1.083000  
1 1 1 -12 6  4  o 43.09000 0.5287000 -1.278000      1.057000  
1 1 1 -12 6  5  o 113.8000 0.8364000 0.6161000      1.673000  
1 1 1 -12 6  6  o 53.36000 0.5437000 -0.3271000     1.087000  
1 1 1 -12 6  7  o 52.82000 0.5621000 0.9449000      1.124000  
1 1 1 -12 6  8  o 90.95000 0.7087000 0.7944000      1.417000  
1 1 1 -12 6  9  o 64.39000 0.6652000 ?              ?         
1 1 1 -12 6  10 o 23.35000 1.411000  4.041000       2.822000  
1 1 1 -12 6  11 o 35.62000 0.9602000 2.799000       1.920000  
1 1 1 -12 6  12 o 16.15000 2.207000  -1.227000      4.413000  
1 1 1 -12 6  13 o 9.784000 2.451000  2.208000       4.902000  
1 1 1 -12 6  14 o 7.375000 2.305000  4.217000       4.610000  
1 1 1 -12 6  15 o 9.824000 2.456000  -0.4181000     4.912000  
1 1 1 -12 6  16 o 14.66000 2.383000  -4.613000      4.765000  
1 1 1 -12 6  17 o 21.70000 1.801000  1.222000       3.602000  
1 1 1 -12 6  18 o 11.29000 2.587000  0.8653000      5.174000  
1 1 1 -12 6  19 o 10.35000 2.612000  0.6367000      5.224000  
1 1 1 -12 6  20 o 8.089000 2.355000  -0.7129000     4.710000  
1 1 1 -12 6  21 o 7.999000 2.350000  0.5866000      4.700000  
1 1 1 -12 6  22 o 5.793000 1.973000  1.310000       3.947000  
1 1 1 -12 6  23 o 8.143000 2.443000  1.531000       4.887000  
1 1 1 -12 6  24 o 8.614000 3.346000  ?              ?         
1 1 1 -12 6  25 o 11.14000 3.565000  ?              ?         
1 1 1 -12 6  26 o 5.527000 2.667000  ?              ?         
1 1 1 -12 7  1  o 23.57000 0.9607000 -1.018000      1.921000  
1 1 1 -12 7  2  o 10.06000 1.791000  -4.258000      3.581000  
1 1 1 -12 7  3  o 27.43000 0.6921000 -0.3560000     1.384000  
1 1 1 -12 7  4  o 60.93000 0.5627000 -0.4962000     1.125000  
1 1 1 -12 7  5  f 54.84000 0.5429000 -0.6306000     1.086000  
1 1 1 -12 7  6  o 47.91000 0.5269000 0.5623000      1.054000  
1 1 1 -12 7  7  o 59.90000 0.7849000 0.7727000      1.570000  
1 1 1 -12 7  8  o 20.96000 1.449000  5.798000       2.898000  
1 1 1 -12 7  9  o 14.12000 2.203000  -5.539000      4.406000  
1 1 1 -12 7  10 o 26.85000 1.205000  0.1223000      2.410000  
1 1 1 -12 7  11 o 16.87000 1.881000  8.089000       3.761000  
1 1 1 -12 7  12 o 8.276000 2.351000  5.035000       4.703000  
1 1 1 -12 7  13 o 10.84000 2.480000  5.985000       4.959000  
1 1 1 -12 7  14 o 25.74000 1.537000  3.470000       3.073000  
1 1 1 -12 7  15 o 8.803000 2.586000  3.221000       5.172000  
1 1 1 -12 7  16 o 9.179000 2.328000  -1.573000      4.656000  
1 1 1 -12 7  17 o 15.96000 2.186000  2.091000       4.372000  
1 1 1 -12 7  18 o 11.60000 2.528000  -0.1798000E-01 5.056000  
1 1 1 -12 7  19 o 6.690000 2.251000  3.556000       4.502000  
1 1 1 -12 7  20 o 17.96000 1.993000  5.457000       3.985000  
1 1 1 -12 7  21 o 9.748000 2.616000  6.987000       5.231000  
1 1 1 -12 7  22 o 9.351000 3.244000  ?              ?         
1 1 1 -12 7  23 o 9.298000 3.302000  ?              ?         
1 1 1 -12 7  24 o 16.40000 2.570000  ?              ?         
1 1 1 -12 7  25 o 6.656000 2.991000  ?              ?         
1 1 1 -12 8  1  o 63.60000 0.5939000 0.4472000      1.188000  
1 1 1 -12 8  2  o 38.38000 0.5814000 -0.8271000     1.163000  
1 1 1 -12 8  3  o 38.92000 0.5243000 0.2270000E-02  1.049000  
1 1 1 -12 8  4  o 39.05000 0.9758000 -1.745000      1.952000  
1 1 1 -12 8  5  o 78.09000 0.8673000 -2.882000      1.735000  
1 1 1 -12 8  6  o 42.76000 1.033000  -1.689000      2.066000  
1 1 1 -12 8  7  o 39.31000 1.199000  -2.453000      2.397000  
1 1 1 -12 8  8  o 62.37000 1.005000  -0.5039000E-01 2.009000  
1 1 1 -12 8  9  o 71.63000 0.7855000 -1.859000      1.571000  
1 1 1 -12 8  10 o 40.60000 0.9031000 2.954000       1.806000  
1 1 1 -12 8  11 o 25.30000 1.276000  3.421000       2.552000  
1 1 1 -12 8  12 o 7.773000 2.271000  6.890000       4.541000  
1 1 1 -12 8  13 o 14.29000 2.158000  -3.653000      4.316000  
1 1 1 -12 8  14 o 8.782000 2.417000  7.663000       4.835000  
1 1 1 -12 8  15 o 7.933000 2.356000  2.779000       4.713000  
1 1 1 -12 8  16 o 6.587000 2.151000  2.351000       4.303000  
1 1 1 -12 8  17 o 11.71000 2.454000  8.972000       4.907000  
1 1 1 -12 8  18 o 10.28000 2.772000  ?              ?         
1 1 1 -12 8  19 o 5.879000 2.013000  1.267000       4.026000  
1 1 1 -12 8  20 o 7.444000 2.474000  4.790000       4.949000  
1 1 1 -12 8  21 o 6.522000 2.821000  ?              ?         
1 1 1 -12 8  22 o 4.674000 2.274000  ?              ?         
1 1 1 -12 8  23 f 9.330000 3.687000  ?              ?         
1 1 1 -12 8  24 o 7.751000 2.388000  -0.6079000     4.776000  
1 1 1 -12 8  25 o 6.737000 2.236000  -0.8798000     4.473000  
1 1 1 -12 9  1  o 22.23000 1.675000  -8.149000      3.350000  
1 1 1 -12 9  2  o 31.10000 0.6531000 1.760000       1.306000  
1 1 1 -12 9  3  o 12.86000 1.058000  -3.045000      2.117000  
1 1 1 -12 9  4  o 25.42000 1.659000  -4.211000      3.318000  
1 1 1 -12 9  5  o 29.54000 1.481000  4.367000       2.961000  
1 1 1 -12 9  6  o 20.53000 1.918000  -1.966000      3.836000  
1 1 1 -12 9  7  o 29.60000 1.448000  0.5289000      2.896000  
1 1 1 -12 9  8  o 9.643000 2.662000  -4.271000      5.325000  
1 1 1 -12 9  9  o 12.45000 2.902000  2.419000       5.803000  
1 1 1 -12 9  10 o 15.94000 2.561000  0.6777000E-01  5.122000  
1 1 1 -12 9  11 o 21.24000 1.459000  1.522000       2.919000  
1 1 1 -12 9  12 o 27.42000 1.241000  0.1378000      2.481000  
1 1 1 -12 9  13 o 18.22000 2.032000  -3.290000      4.064000  
1 1 1 -12 9  14 o 14.62000 2.144000  5.360000       4.289000  
1 1 1 -12 9  15 o 13.26000 2.296000  -2.005000      4.593000  
1 1 1 -12 9  16 o 22.92000 1.753000  -6.272000      3.505000  
1 1 1 -12 9  17 o 18.92000 2.027000  -2.341000      4.053000  
1 1 1 -12 9  18 o 9.156000 2.128000  -4.024000      4.257000  
1 1 1 -12 9  19 o 9.090000 2.815000  ?              ?         
1 1 1 -12 9  20 o 10.72000 2.765000  ?              ?         
1 1 1 -12 9  21 o 8.901000 3.398000  ?              ?         
1 1 1 -12 9  22 o 6.341000 2.075000  1.208000       4.151000  
1 1 1 -12 10 1  o 27.92000 0.7409000 -2.754000      1.482000  
1 1 1 -12 10 2  o 24.95000 1.129000  0.5962000      2.258000  
1 1 1 -12 10 3  o 6.145000 2.078000  0.3259000      4.156000  
1 1 1 -12 10 4  o 33.80000 1.214000  1.021000       2.427000  
1 1 1 -12 10 5  o 23.44000 1.784000  -6.054000      3.568000  
1 1 1 -12 10 6  o 10.02000 2.642000  2.190000       5.285000  
1 1 1 -12 10 7  o 34.91000 1.259000  -1.924000      2.517000  
1 1 1 -12 10 8  o 11.53000 2.769000  -2.725000      5.537000  
1 1 1 -12 10 9  o 29.05000 1.465000  -5.285000      2.929000  
1 1 1 -12 10 10 o 37.40000 1.235000  0.5384000      2.470000  
1 1 1 -12 10 11 o 9.348000 2.667000  -3.856000      5.334000  
1 1 1 -12 10 12 o 5.699000 1.851000  2.021000       3.702000  
1 1 1 -12 10 13 o 11.99000 2.178000  -1.969000      4.355000  
1 1 1 -12 10 14 o 7.517000 2.246000  2.452000       4.492000  
1 1 1 -12 10 15 o 6.196000 1.993000  0.8085000      3.985000  
1 1 1 -12 10 16 o 10.26000 2.080000  -4.291000      4.161000  
1 1 1 -12 10 17 o 7.338000 2.741000  ?              ?         
1 1 1 -12 10 18 o 11.21000 2.652000  ?              ?         
1 1 1 -12 10 19 o 7.059000 3.072000  ?              ?         
1 1 1 -12 11 1  o 17.30000 1.531000  2.696000       3.062000  
1 1 1 -12 11 2  o 10.48000 1.966000  -4.248000      3.933000  
1 1 1 -12 11 3  o 15.76000 2.322000  0.5380000      4.644000  
1 1 1 -12 11 4  o 16.50000 2.292000  -3.084000      4.583000  
1 1 1 -12 11 5  o 30.65000 1.357000  -0.3603000     2.714000  
1 1 1 -12 11 6  o 16.25000 2.283000  -2.657000      4.566000  
1 1 1 -12 11 7  o 6.491000 2.195000  -0.4970000     4.390000  
1 1 1 -12 11 8  o 8.486000 2.576000  3.470000       5.151000  
1 1 1 -12 11 9  o 18.08000 2.457000  -5.704000      4.914000  
1 1 1 -12 11 10 o 17.65000 2.502000  -2.275000      5.005000  
1 1 1 -12 11 11 o 26.43000 1.560000  1.707000       3.121000  
1 1 1 -12 11 12 o 14.87000 2.721000  -2.888000      5.442000  
1 1 1 -12 11 13 o 14.34000 2.164000  -6.671000      4.328000  
1 1 1 -12 11 14 o 14.51000 2.238000  3.086000       4.476000  
1 1 1 -12 11 15 o 8.778000 2.270000  ?              ?         
1 1 1 -12 12 1  o 18.31000 1.313000  -0.5944000     2.626000  
1 1 1 -12 12 2  o 23.54000 1.053000  0.8222000      2.106000  
1 1 1 -12 12 3  o 32.90000 1.217000  -1.624000      2.434000  
1 1 1 -12 12 4  o 26.98000 1.503000  -4.118000      3.006000  
1 1 1 -12 12 5  o 13.47000 2.657000  5.448000       5.314000  
1 1 1 -12 12 6  o 7.270000 2.352000  -0.1359000     4.704000  
1 1 1 -12 12 7  o 20.77000 1.935000  3.283000       3.869000  
1 1 1 -12 12 8  o 36.74000 1.220000  0.7411000      2.439000  
1 1 1 -12 12 9  o 23.13000 1.998000  -7.751000      3.997000  
1 1 1 -12 12 10 o 10.94000 2.806000  3.861000       5.611000  
1 1 1 -12 12 11 o 14.05000 2.755000  -3.663000      5.510000  
1 1 1 -12 12 12 o 9.623000 3.911000  ?              ?         
1 1 1 -12 13 1  o 12.22000 1.894000  0.5225000      3.787000  
1 1 1 -12 13 2  o 22.52000 1.080000  -0.4727000     2.160000  
1 1 1 -12 13 3  o 5.652000 1.735000  -1.010000      3.470000  
1 1 1 -12 13 4  o 13.18000 2.758000  0.6576000      5.516000  
1 1 1 -12 13 5  o 9.623000 2.685000  2.939000       5.370000  
1 1 1 -12 13 6  o 8.496000 2.518000  -2.306000      5.037000  
1 1 1 -12 13 7  o 5.951000 2.893000  ?              ?         
1 1 1 -12 13 8  o 19.39000 3.151000  ?              ?         
1 1 1 -11 0  1  o 65.05000 0.7947000 -0.000000      0.000000  
1 1 1 -11 0  2  o 16.35000 1.514000  0.000000       0.000000  
1 1 1 -11 0  3  o 78.19000 0.8721000 0.000000       0.000000  
1 1 1 -11 0  4  f 81.88000 0.8929000 -0.000000      0.000000  
1 1 1 -11 0  5  o 218.0000 2.177000  -0.000000      0.000000  
1 1 1 -11 0  6  o 121.7000 1.246000  -0.000000      0.000000  
1 1 1 -11 0  7  o 71.96000 0.8563000 0.000000       0.000000  
1 1 1 -11 0  8  o 34.15000 0.9983000 0.000000       0.000000  
1 1 1 -11 0  9  o 58.06000 0.8594000 -0.000000      0.000000  
1 1 1 -11 0  10 o 151.4000 1.540000  0.000000       0.000000  
1 1 1 -11 0  11 o 202.5000 2.034000  0.000000       0.000000  
1 1 1 -11 0  12 o 64.92000 0.9519000 -0.000000      0.000000  
1 1 1 -11 0  13 o 12.95000 3.833000  -0.000000      0.000000  
1 1 1 -11 0  14 o 10.12000 4.362000  -0.000000      0.000000  
1 1 1 -11 0  15 o 40.22000 1.272000  -0.000000      0.000000  
1 1 1 -11 0  16 o 43.73000 1.175000  -0.000000      0.000000  
1 1 1 -11 0  17 o 8.187000 4.304000  0.000000       0.000000  
1 1 1 -11 0  18 o 5.567000 3.607000  0.000000       0.000000  
1 1 1 -11 0  19 f 22.97000 2.137000  -0.000000      0.000000  
1 1 1 -11 0  20 o 4.728000 3.220000  -0.000000      0.000000  
1 1 1 -11 0  21 o 20.65000 2.395000  0.000000       0.000000  
1 1 1 -11 0  22 o 8.806000 4.391000  0.000000       0.000000  
1 1 1 -11 0  23 o 5.537000 3.604000  -0.000000      0.000000  
1 1 1 -11 0  24 f 7.619000 4.138000  0.000000       0.000000  
1 1 1 -11 0  25 o 4.167000 2.922000  0.000000       0.000000  
1 1 1 -11 0  26 o 4.794000 3.206000  0.000000       0.000000  
1 1 1 -11 0  27 o 5.505000 3.599000  -0.000000      0.000000  
1 1 1 -11 0  28 o 3.192000 2.346000  0.000000       0.000000  
1 1 1 -11 1  1  o 37.69000 0.5749000 0.3396000      1.150000  
1 1 1 -11 1  2  o 55.22000 0.6275000 -0.7053000     1.255000  
1 1 1 -11 1  3  o 22.29000 0.8544000 -1.539000      1.709000  
1 1 1 -11 1  4  o 52.03000 0.5208000 0.6462000      1.042000  
1 1 1 -11 1  5  o 78.16000 0.6193000 -1.574000      1.239000  
1 1 1 -11 1  6  o 15.30000 1.331000  -4.707000      2.662000  
1 1 1 -11 1  7  o 34.72000 0.6630000 1.082000       1.326000  
1 1 1 -11 1  8  o 23.11000 0.9876000 2.582000       1.975000  
1 1 1 -11 1  9  o 37.48000 0.7034000 -0.9734000     1.407000  
1 1 1 -11 1  10 o 24.98000 1.047000  0.2205000      2.093000  
1 1 1 -11 1  11 o 55.87000 0.6549000 -1.039000      1.310000  
1 1 1 -11 1  12 o 70.99000 0.6720000 -1.128000      1.344000  
1 1 1 -11 1  13 o 40.90000 0.8407000 1.594000       1.681000  
1 1 1 -11 1  14 o 33.65000 1.029000  3.819000       2.059000  
1 1 1 -11 1  15 o 8.308000 2.233000  -3.860000      4.466000  
1 1 1 -11 1  16 o 23.63000 1.644000  3.413000       3.287000  
1 1 1 -11 1  17 o 29.04000 1.188000  -2.585000      2.376000  
1 1 1 -11 1  18 o 17.94000 1.919000  4.052000       3.837000  
1 1 1 -11 1  19 o 7.674000 2.261000  -3.481000      4.522000  
1 1 1 -11 1  20 o 35.56000 1.010000  -1.134000      2.020000  
1 1 1 -11 1  21 o 28.29000 1.219000  -4.354000      2.439000  
1 1 1 -11 1  22 o 23.01000 1.470000  0.7479000      2.941000  
1 1 1 -11 1  23 o 13.88000 2.431000  2.115000       4.861000  
1 1 1 -11 1  24 o 11.13000 2.465000  -2.281000      4.930000  
1 1 1 -11 1  25 o 7.883000 2.250000  4.234000       4.499000  
1 1 1 -11 1  26 o 7.819000 2.304000  -3.495000      4.607000  
1 1 1 -11 1  27 f 5.286000 1.829000  -0.3203000     3.658000  
1 1 1 -11 1  28 o 13.44000 2.766000  8.380000       5.531000  
1 1 1 -11 2  1  o 134.2000 0.9634000 -1.785000      1.927000  
1 1 1 -11 2  2  o 88.07000 0.6735000 0.5117000      1.347000  
1 1 1 -11 2  3  o 19.22000 0.9363000 -2.553000      1.873000  
1 1 1 -11 2  4  o 79.28000 0.6255000 -0.9099000     1.251000  
1 1 1 -11 2  5  o 114.2000 0.8304000 -0.4161000     1.661000  
1 1 1 -11 2  6  o 156.4000 1.115000  1.088000       2.230000  
1 1 1 -11 2  7  o 52.26000 0.5579000 -1.580000      1.116000  
1 1 1 -11 2  8  o 53.74000 0.7591000 -0.8350000     1.518000  
1 1 1 -11 2  9  o 42.53000 0.8194000 -0.5954000     1.639000  
1 1 1 -11 2  10 o 42.19000 0.6919000 1.425000       1.384000  
1 1 1 -11 2  11 f 100.6000 0.7792000 0.1715000      1.558000  
1 1 1 -11 2  12 o 124.4000 0.9235000 0.8282000      1.847000  
1 1 1 -11 2  13 o 10.46000 2.371000  -3.951000      4.743000  
1 1 1 -11 2  14 o 43.62000 1.012000  -0.6059000     2.024000  
1 1 1 -11 2  15 o 13.03000 2.646000  4.069000       5.292000  
1 1 1 -11 2  16 o 34.83000 1.182000  2.629000       2.364000  
1 1 1 -11 2  17 o 30.29000 1.326000  2.166000       2.653000  
1 1 1 -11 2  18 o 10.42000 2.776000  0.3810000      5.552000  
1 1 1 -11 2  19 o 9.354000 2.465000  -3.568000      4.931000  
1 1 1 -11 2  20 o 11.37000 2.600000  -2.927000      5.199000  
1 1 1 -11 2  21 o 6.661000 2.149000  2.986000       4.297000  
1 1 1 -11 2  22 o 12.78000 2.363000  8.144000       4.727000  
1 1 1 -11 2  23 o 8.452000 2.464000  1.890000       4.928000  
1 1 1 -11 2  24 o 7.604000 2.288000  0.9274000      4.576000  
1 1 1 -11 2  25 o 7.018000 2.214000  -0.9100000     4.428000  
1 1 1 -11 2  26 o 6.150000 2.055000  0.8681000E-01  4.110000  
1 1 1 -11 2  27 o 5.509000 1.903000  0.1388000E-01  3.805000  
1 1 1 -11 2  28 o 6.389000 2.981000  ?              ?         
1 1 1 -11 3  1  o 106.7000 0.9503000 0.2955000      1.901000  
1 1 1 -11 3  2  o 62.54000 0.5410000 1.050000       1.082000  
1 1 1 -11 3  3  o 56.25000 0.5239000 0.1450000      1.048000  
1 1 1 -11 3  4  o 39.28000 0.5410000 1.485000       1.082000  
1 1 1 -11 3  5  o 21.94000 0.8297000 -2.634000      1.659000  
1 1 1 -11 3  6  o 22.77000 0.8413000 0.8845000      1.683000  
1 1 1 -11 3  7  o 15.25000 1.323000  2.649000       2.646000  
1 1 1 -11 3  8  o 51.30000 0.5766000 -0.8779000     1.153000  
1 1 1 -11 3  9  o 11.77000 1.874000  -5.624000      3.748000  
1 1 1 -11 3  10 o 27.44000 0.9222000 3.634000       1.844000  
1 1 1 -11 3  11 o 16.18000 1.808000  -3.379000      3.617000  
1 1 1 -11 3  12 o 23.74000 1.539000  3.716000       3.077000  
1 1 1 -11 3  13 o 49.51000 0.8567000 -1.535000      1.713000  
1 1 1 -11 3  14 o 13.47000 2.461000  4.976000       4.923000  
1 1 1 -11 3  15 o 18.57000 2.099000  3.270000       4.198000  
1 1 1 -11 3  16 o 16.30000 2.333000  4.075000       4.667000  
1 1 1 -11 3  17 o 25.71000 1.635000  -4.709000      3.270000  
1 1 1 -11 3  18 o 30.71000 1.338000  4.248000       2.676000  
1 1 1 -11 3  19 o 13.35000 2.473000  0.9282000      4.947000  
1 1 1 -11 3  20 o 19.06000 1.839000  0.3351000      3.677000  
1 1 1 -11 3  21 o 29.71000 1.224000  -1.856000      2.449000  
1 1 1 -11 3  22 o 28.41000 1.260000  -1.748000      2.520000  
1 1 1 -11 3  23 o 12.90000 2.472000  0.9089000      4.945000  
1 1 1 -11 3  24 o 6.641000 2.094000  -1.984000      4.188000  
1 1 1 -11 3  25 o 7.017000 2.217000  0.4582000      4.435000  
1 1 1 -11 3  26 o 10.70000 2.536000  1.869000       5.071000  
1 1 1 -11 3  27 o 7.841000 3.320000  ?              ?         
1 1 1 -11 3  28 o 7.566000 3.327000  ?              ?         
1 1 1 -11 4  1  o 115.8000 0.8433000 1.535000       1.687000  
1 1 1 -11 4  2  o 53.89000 0.5248000 -1.057000      1.050000  
1 1 1 -11 4  3  f 79.73000 0.6225000 0.5333000      1.245000  
1 1 1 -11 4  4  f 128.3000 0.9270000 0.9476000      1.854000  
1 1 1 -11 4  5  o 125.8000 1.106000  3.222000       2.213000  
1 1 1 -11 4  6  o 22.07000 0.8119000 -0.1208000     1.624000  
1 1 1 -11 4  7  o 49.22000 0.5478000 2.210000       1.096000  
1 1 1 -11 4  8  o 154.1000 1.102000  2.246000       2.205000  
1 1 1 -11 4  9  o 43.80000 0.6273000 0.1864000      1.255000  
1 1 1 -11 4  10 o 17.81000 1.371000  -0.4622000     2.742000  
1 1 1 -11 4  11 o 113.3000 0.9919000 0.4318000      1.984000  
1 1 1 -11 4  12 o 82.42000 0.8839000 1.267000       1.768000  
1 1 1 -11 4  13 o 62.98000 0.7795000 1.837000       1.559000  
1 1 1 -11 4  14 o 38.47000 1.097000  -4.872000      2.194000  
1 1 1 -11 4  15 o 19.30000 1.954000  0.4833000      3.908000  
1 1 1 -11 4  16 o 30.56000 1.269000  -4.086000      2.539000  
1 1 1 -11 4  17 o 35.59000 1.100000  0.1827000      2.201000  
1 1 1 -11 4  18 o 19.15000 2.134000  -0.6882000     4.268000  
1 1 1 -11 4  19 o 27.03000 1.579000  -0.5533000E-01 3.158000  
1 1 1 -11 4  20 o 17.13000 1.964000  4.484000       3.929000  
1 1 1 -11 4  21 o 6.379000 2.092000  -1.748000      4.183000  
1 1 1 -11 4  22 o 13.37000 2.156000  -9.724000      4.312000  
1 1 1 -11 4  23 o 8.917000 2.419000  -1.925000      4.839000  
1 1 1 -11 4  24 f 7.177000 2.233000  0.7036000      4.465000  
1 1 1 -11 4  25 o 7.063000 2.186000  -2.193000      4.371000  
1 1 1 -11 4  26 o 5.388000 2.619000  ?              ?         
1 1 1 -11 4  27 o 8.325000 3.341000  ?              ?         
1 1 1 -11 4  28 o 5.975000 2.842000  ?              ?         
1 1 1 -11 5  1  o 23.28000 0.8628000 1.384000       1.726000  
1 1 1 -11 5  2  f 55.57000 0.5309000 -1.536000      1.062000  
1 1 1 -11 5  3  o 43.25000 0.5239000 0.1140000      1.048000  
1 1 1 -11 5  4  o 68.67000 0.5717000 1.795000       1.143000  
1 1 1 -11 5  5  o 72.99000 0.5944000 0.4469000E-01  1.189000  
1 1 1 -11 5  6  o 26.25000 0.6938000 -0.4754000     1.388000  
1 1 1 -11 5  7  o 29.88000 0.6527000 -0.9182000     1.305000  
1 1 1 -11 5  8  o 45.51000 0.5618000 1.049000       1.124000  
1 1 1 -11 5  9  o 8.705000 1.985000  0.2253000      3.970000  
1 1 1 -11 5  10 o 37.14000 0.8099000 ?              ?         
1 1 1 -11 5  11 o 54.22000 0.8021000 -0.9005000E-01 1.604000  
1 1 1 -11 5  12 o 38.23000 1.017000  0.1776000      2.034000  
1 1 1 -11 5  13 o 50.03000 0.8334000 -0.1216000     1.667000  
1 1 1 -11 5  14 o 44.96000 0.9549000 0.7646000      1.910000  
1 1 1 -11 5  15 o 11.74000 2.647000  4.295000       5.293000  
1 1 1 -11 5  16 o 23.16000 1.660000  1.328000       3.320000  
1 1 1 -11 5  17 o 47.39000 0.9222000 0.3955000      1.844000  
1 1 1 -11 5  18 o 34.96000 1.261000  -2.066000      2.522000  
1 1 1 -11 5  19 o 32.13000 1.266000  -1.773000      2.533000  
1 1 1 -11 5  20 o 17.69000 2.222000  2.410000       4.444000  
1 1 1 -11 5  21 o 9.842000 2.480000  1.166000       4.960000  
1 1 1 -11 5  22 o 14.27000 2.313000  4.385000       4.627000  
1 1 1 -11 5  23 o 9.937000 2.396000  -2.834000      4.791000  
1 1 1 -11 5  24 o 6.051000 1.968000  -1.899000      3.936000  
1 1 1 -11 5  25 o 7.775000 3.531000  ?              ?         
1 1 1 -11 5  26 o 8.907000 3.833000  ?              ?         
1 1 1 -11 5  27 o 8.999000 2.621000  3.850000       5.241000  
1 1 1 -11 6  1  o 93.76000 0.7170000 -0.7830000     1.434000  
1 1 1 -11 6  2  o 130.8000 0.9454000 -2.825000      1.891000  
1 1 1 -11 6  3  o 40.30000 0.5184000 -1.478000      1.037000  
1 1 1 -11 6  4  o 123.3000 0.8984000 1.580000       1.797000  
1 1 1 -11 6  5  o 91.57000 0.6972000 0.6979000      1.394000  
1 1 1 -11 6  6  o 172.7000 1.239000  2.373000       2.479000  
1 1 1 -11 6  7  o 43.45000 0.5495000 -1.565000      1.099000  
1 1 1 -11 6  8  o 46.26000 0.8159000 3.874000       1.632000  
1 1 1 -11 6  9  o 51.89000 0.7987000 0.4195000      1.597000  
1 1 1 -11 6  10 f 35.28000 1.000000  1.931000       2.001000  
1 1 1 -11 6  11 o 20.74000 1.536000  2.316000       3.073000  
1 1 1 -11 6  12 o 24.73000 1.631000  -3.205000      3.261000  
1 1 1 -11 6  13 o 46.55000 0.8740000 -0.4873000     1.748000  
1 1 1 -11 6  14 o 13.76000 2.404000  -5.491000      4.809000  
1 1 1 -11 6  15 f 8.938000 2.657000  4.896000       5.314000  
1 1 1 -11 6  16 o 19.84000 2.036000  0.3240000      4.071000  
1 1 1 -11 6  17 o 15.90000 2.381000  -5.348000      4.761000  
1 1 1 -11 6  18 o 19.46000 2.035000  -2.328000      4.071000  
1 1 1 -11 6  19 o 10.38000 2.660000  1.298000       5.319000  
1 1 1 -11 6  20 o 16.60000 2.412000  -3.236000      4.825000  
1 1 1 -11 6  21 o 10.43000 2.579000  8.063000       5.158000  
1 1 1 -11 6  22 o 7.759000 2.289000  -0.8800000     4.577000  
1 1 1 -11 6  23 o 7.557000 2.364000  -0.2087000     4.729000  
1 1 1 -11 6  24 o 7.839000 2.466000  -1.398000      4.932000  
1 1 1 -11 6  25 o 7.284000 2.390000  -0.8451000     4.779000  
1 1 1 -11 6  27 o 6.412000 2.186000  -3.155000      4.372000  
1 1 1 -11 7  1  o 31.05000 0.6866000 -2.036000      1.373000  
1 1 1 -11 7  2  o 46.59000 0.5405000 -0.1123000E-01 1.081000  
1 1 1 -11 7  3  o 40.49000 0.5112000 0.7476000      1.022000  
1 1 1 -11 7  4  o 39.12000 0.5065000 2.210000       1.013000  
1 1 1 -11 7  5  o 11.16000 2.276000  5.715000       4.551000  
1 1 1 -11 7  6  o 52.95000 0.8183000 1.363000       1.637000  
1 1 1 -11 7  7  o 29.42000 1.156000  1.069000       2.313000  
1 1 1 -11 7  8  o 21.90000 1.356000  3.728000       2.712000  
1 1 1 -11 7  9  o 36.48000 0.9240000 0.7046000      1.848000  
1 1 1 -11 7  10 o 15.43000 2.213000  0.8787000      4.426000  
1 1 1 -11 7  11 o 8.848000 2.357000  1.857000       4.714000  
1 1 1 -11 7  12 o 23.73000 1.572000  1.972000       3.143000  
1 1 1 -11 7  13 o 17.34000 2.116000  0.6567000      4.231000  
1 1 1 -11 7  14 o 18.55000 2.099000  -2.864000      4.197000  
1 1 1 -11 7  15 o 15.67000 2.232000  1.958000       4.464000  
1 1 1 -11 7  16 o 14.49000 2.264000  -7.369000      4.529000  
1 1 1 -11 7  17 o 10.28000 2.150000  -5.220000      4.300000  
1 1 1 -11 7  18 o 36.67000 1.197000  -5.554000      2.395000  
1 1 1 -11 7  19 o 35.02000 1.018000  ?              ?         
1 1 1 -11 7  20 o 11.55000 2.792000  3.364000       5.585000  
1 1 1 -11 7  21 o 6.240000 2.063000  -0.4822000     4.125000  
1 1 1 -11 7  22 o 6.368000 2.050000  -1.399000      4.101000  
1 1 1 -11 7  23 o 10.69000 2.658000  4.711000       5.317000  
1 1 1 -11 7  24 o 7.325000 2.357000  -2.077000      4.714000  
1 1 1 -11 7  25 o 5.816000 2.016000  -0.3619000     4.032000  
1 1 1 -11 7  26 o 12.23000 2.832000  4.769000       5.665000  
1 1 1 -11 8  1  o 22.45000 0.8924000 0.7712000      1.785000  
1 1 1 -11 8  2  o 26.57000 0.7024000 -1.406000      1.405000  
1 1 1 -11 8  3  o 34.11000 0.5093000 -0.9573000     1.019000  
1 1 1 -11 8  4  o 72.59000 0.9665000 -0.7135000     1.933000  
1 1 1 -11 8  5  o 89.29000 1.044000  -1.377000      2.088000  
1 1 1 -11 8  6  o 82.04000 1.016000  3.249000       2.033000  
1 1 1 -11 8  7  o 51.84000 1.017000  0.1982000      2.034000  
1 1 1 -11 8  8  o 24.81000 1.831000  -6.758000      3.662000  
1 1 1 -11 8  9  o 30.56000 1.610000  -3.679000      3.220000  
1 1 1 -11 8  10 o 62.88000 0.7800000 -0.9746000     1.560000  
1 1 1 -11 8  11 o 42.74000 0.9707000 0.8602000      1.941000  
1 1 1 -11 8  12 o 39.76000 1.014000  -0.5756000     2.029000  
1 1 1 -11 8  13 o 33.84000 1.068000  3.663000       2.135000  
1 1 1 -11 8  14 f 33.30000 1.147000  0.2299000      2.294000  
1 1 1 -11 8  15 o 33.59000 1.100000  5.471000       2.199000  
1 1 1 -11 8  16 o 4.943000 1.773000  2.465000       3.546000  
1 1 1 -11 8  17 o 11.90000 2.583000  4.970000       5.167000  
1 1 1 -11 8  18 o 12.65000 2.719000  1.480000       5.437000  
1 1 1 -11 8  19 o 13.19000 2.153000  -2.576000      4.305000  
1 1 1 -11 8  20 o 14.81000 2.044000  -1.475000      4.088000  
1 1 1 -11 8  21 o 9.562000 2.225000  -6.336000      4.450000  
1 1 1 -11 8  22 o 10.03000 2.654000  0.3364000      5.307000  
1 1 1 -11 8  23 o 7.147000 2.312000  0.2569000      4.625000  
1 1 1 -11 8  24 o 6.787000 2.219000  -2.068000      4.437000  
1 1 1 -11 8  25 o 5.447000 1.910000  -0.7027000     3.820000  
1 1 1 -11 8  26 o 5.907000 2.055000  2.863000       4.109000  
1 1 1 -11 9  1  o 41.95000 0.5940000 0.7970000      1.188000  
1 1 1 -11 9  2  o 14.77000 1.158000  -2.503000      2.316000  
1 1 1 -11 9  3  o 17.65000 1.604000  -1.955000      3.208000  
1 1 1 -11 9  4  o 26.15000 1.618000  -1.070000      3.236000  
1 1 1 -11 9  5  o 28.41000 1.503000  4.357000       3.005000  
1 1 1 -11 9  6  o 14.18000 2.781000  2.172000       5.562000  
1 1 1 -11 9  7  o 34.42000 1.298000  -2.183000      2.595000  
1 1 1 -11 9  8  o 21.74000 2.151000  0.6000000      4.301000  
1 1 1 -11 9  9  o 41.85000 1.188000  -0.3929000     2.376000  
1 1 1 -11 9  10 o 20.11000 2.247000  -2.479000      4.494000  
1 1 1 -11 9  11 o 11.04000 2.219000  -0.8835000     4.438000  
1 1 1 -11 9  12 o 27.58000 1.220000  -1.756000      2.439000  
1 1 1 -11 9  13 o 28.99000 1.161000  1.994000       2.321000  
1 1 1 -11 9  14 o 16.43000 2.224000  -8.633000      4.448000  
1 1 1 -11 9  15 o 25.96000 1.393000  -0.8220000     2.785000  
1 1 1 -11 9  16 o 10.74000 2.199000  -5.189000      4.398000  
1 1 1 -11 9  17 o 8.951000 2.140000  2.916000       4.279000  
1 1 1 -11 9  18 o 13.09000 2.082000  0.1889000      4.164000  
1 1 1 -11 9  19 o 11.01000 2.343000  1.887000       4.687000  
1 1 1 -11 9  20 o 7.961000 2.255000  5.948000       4.510000  
1 1 1 -11 9  21 o 8.584000 2.455000  -0.4590000     4.910000  
1 1 1 -11 9  22 o 10.92000 2.527000  4.027000       5.053000  
1 1 1 -11 9  23 o 6.914000 2.239000  -0.7163000     4.478000  
1 1 1 -11 9  24 o 14.94000 2.479000  -0.5482000     4.959000  
1 1 1 -11 9  25 o 8.609000 2.589000  -0.4569000     5.178000  
1 1 1 -11 10 1  o 80.41000 0.7645000 2.639000       1.529000  
1 1 1 -11 10 2  o 23.53000 1.193000  0.4410000E-01  2.386000  
1 1 1 -11 10 3  o 66.86000 0.9464000 0.5447000      1.893000  
1 1 1 -11 10 4  o 54.74000 0.9546000 -0.5247000E-01 1.909000  
1 1 1 -11 10 5  o 22.31000 1.943000  1.509000       3.885000  
1 1 1 -11 10 6  o 23.84000 1.779000  2.695000       3.558000  
1 1 1 -11 10 7  o 28.86000 1.552000  -2.538000      3.104000  
1 1 1 -11 10 8  o 30.65000 1.456000  -3.056000      2.912000  
1 1 1 -11 10 9  o 27.13000 1.647000  -0.9514000     3.294000  
1 1 1 -11 10 10 o 19.28000 2.381000  -6.205000      4.761000  
1 1 1 -11 10 11 o 10.09000 1.924000  -3.544000      3.849000  
1 1 1 -11 10 12 o 21.53000 1.558000  -2.421000      3.115000  
1 1 1 -11 10 13 o 9.838000 2.234000  0.4417000      4.469000  
1 1 1 -11 10 14 o 5.303000 1.856000  2.885000       3.711000  
1 1 1 -11 10 15 o 13.04000 2.413000  -1.677000      4.826000  
1 1 1 -11 10 16 o 8.185000 2.028000  -2.855000      4.055000  
1 1 1 -11 10 17 o 6.927000 2.068000  0.4151000      4.135000  
1 1 1 -11 10 18 o 6.228000 2.004000  1.304000       4.008000  
1 1 1 -11 10 19 o 5.873000 1.946000  0.6790000      3.891000  
1 1 1 -11 10 20 o 5.459000 1.856000  0.7156000      3.711000  
1 1 1 -11 10 21 o 6.829000 2.085000  -4.010000      4.170000  
1 1 1 -11 10 22 o 8.028000 2.358000  2.207000       4.716000  
1 1 1 -11 10 23 o 10.09000 3.739000  ?              ?         
1 1 1 -11 11 1  o 21.69000 1.222000  1.071000       2.443000  
1 1 1 -11 11 2  o 31.13000 0.8657000 -1.976000      1.731000  
1 1 1 -11 11 3  o 22.74000 1.861000  -3.685000      3.723000  
1 1 1 -11 11 4  o 21.53000 1.836000  2.870000       3.673000  
1 1 1 -11 11 5  o 25.19000 1.525000  -2.749000      3.050000  
1 1 1 -11 11 6  o 11.36000 2.580000  -5.354000      5.160000  
1 1 1 -11 11 7  o 11.50000 2.846000  1.373000       5.692000  
1 1 1 -11 11 8  o 21.38000 2.089000  -5.417000      4.179000  
1 1 1 -11 11 9  o 17.58000 2.554000  -6.688000      5.108000  
1 1 1 -11 11 10 o 31.21000 1.376000  -2.917000      2.752000  
1 1 1 -11 11 11 o 12.32000 2.822000  -3.822000      5.643000  
1 1 1 -11 11 12 o 6.327000 2.103000  6.271000       4.207000  
1 1 1 -11 11 13 o 10.15000 2.300000  2.436000       4.601000  
1 1 1 -11 11 14 o 16.70000 1.179000  1.175000       2.359000  
1 1 1 -11 11 15 o 5.444000 1.688000  -1.940000      3.377000  
1 1 1 -11 11 16 o 8.199000 2.147000  0.9849000      4.294000  
1 1 1 -11 11 17 o 8.123000 3.372000  ?              ?         
1 1 1 -11 11 18 o 6.400000 2.046000  -0.2308000     4.093000  
1 1 1 -11 11 19 o 7.841000 2.224000  2.350000       4.447000  
1 1 1 -11 12 1  o 26.97000 0.9669000 0.7171000      1.934000  
1 1 1 -11 12 2  o 42.32000 0.7112000 -1.298000      1.422000  
1 1 1 -11 12 3  o 27.38000 0.6835000 ?              ?         
1 1 1 -11 12 4  o 19.33000 2.104000  4.006000       4.207000  
1 1 1 -11 12 5  o 44.80000 0.9608000 -1.846000      1.922000  
1 1 1 -11 12 6  o 22.57000 1.907000  -3.759000      3.814000  
1 1 1 -11 12 7  o 28.87000 1.560000  -6.472000      3.121000  
1 1 1 -11 12 8  o 40.59000 1.133000  -1.899000      2.266000  
1 1 1 -11 12 9  o 24.76000 1.775000  3.046000       3.550000  
1 1 1 -11 12 10 o 8.861000 2.649000  0.6425000      5.299000  
1 1 1 -11 12 11 o 15.27000 2.702000  -3.462000      5.403000  
1 1 1 -11 12 12 o 17.51000 2.085000  -3.797000      4.169000  
1 1 1 -11 12 13 o 9.469000 1.765000  -0.6113000     3.531000  
1 1 1 -11 12 14 o 7.390000 1.942000  2.525000       3.884000  
1 1 1 -11 12 15 o 6.465000 1.961000  1.817000       3.921000  
1 1 1 -11 13 1  o 18.55000 1.371000  -0.9999000E-01 2.741000  
1 1 1 -11 13 2  o 13.24000 1.917000  6.100000       3.835000  
1 1 1 -11 13 3  o 23.22000 1.017000  -0.6497000     2.033000  
1 1 1 -11 13 4  o 6.889000 2.205000  -2.249000      4.409000  
1 1 1 -11 13 5  o 15.55000 2.432000  2.924000       4.864000  
1 1 1 -11 13 6  o 6.376000 2.153000  0.9916000      4.305000  
1 1 1 -11 13 7  o 21.58000 2.124000  -8.577000      4.249000  
1 1 1 -11 13 8  o 17.75000 2.366000  2.582000       4.733000  
1 1 1 -11 13 9  o 8.898000 2.697000  0.6528000      5.394000  
1 1 1 -11 13 10 o 6.635000 2.252000  1.480000       4.504000  
1 1 1 -11 13 11 o 11.20000 4.058000  ?              ?         
1 1 1 -11 14 1  o 21.93000 0.9529000 ?              ?         
1 1 1 -11 14 2  o 5.574000 1.840000  -2.011000      3.680000  
1 1 1 -11 14 3  o 11.39000 2.029000  -0.8289000     4.058000  
1 1 1 -11 14 4  o 15.57000 1.765000  4.132000       3.531000  
1 1 1 -11 14 5  o 11.76000 2.810000  3.757000       5.620000  
1 1 1 -11 14 6  o 8.016000 3.507000  ?              ?         
1 1 1 -11 14 7  o 9.181000 3.805000  ?              ?         
1 1 1 -10 0  1  o 37.49000 0.7523000 0.000000       0.000000  
1 1 1 -10 0  2  o 27.05000 0.8591000 -0.000000      0.000000  
1 1 1 -10 0  3  o 142.9000 1.439000  -0.000000      0.000000  
1 1 1 -10 0  4  o 100.1000 1.037000  -0.000000      0.000000  
1 1 1 -10 0  5  o 108.4000 1.114000  -0.000000      0.000000  
1 1 1 -10 0  6  o 190.0000 1.899000  -0.000000      0.000000  
1 1 1 -10 0  7  o 77.24000 0.8706000 0.000000       0.000000  
1 1 1 -10 0  8  o 141.6000 1.435000  0.000000       0.000000  
1 1 1 -10 0  9  o 86.63000 0.9569000 0.000000       0.000000  
1 1 1 -10 0  10 o 70.25000 0.8768000 -0.000000      0.000000  
1 1 1 -10 0  11 o 83.81000 0.9635000 0.000000       0.000000  
1 1 1 -10 0  12 o 30.73000 1.302000  -0.000000      0.000000  
1 1 1 -10 0  13 o 4.638000 3.125000  -0.000000      0.000000  
1 1 1 -10 0  14 o 35.64000 1.336000  -0.000000      0.000000  
1 1 1 -10 0  16 f 49.18000 1.112000  -0.000000      0.000000  
1 1 1 -10 0  17 o 44.04000 1.181000  -0.000000      0.000000  
1 1 1 -10 0  18 o 42.27000 1.261000  -0.000000      0.000000  
1 1 1 -10 0  19 o 16.78000 3.316000  0.000000       0.000000  
1 1 1 -10 0  20 o 42.95000 1.279000  0.000000       0.000000  
1 1 1 -10 0  21 o 7.062000 4.164000  0.000000       0.000000  
1 1 1 -10 0  22 o 12.22000 4.356000  0.000000       0.000000  
1 1 1 -10 0  23 o 16.86000 3.371000  0.000000       0.000000  
1 1 1 -10 0  24 o 9.460000 4.498000  0.000000       0.000000  
1 1 1 -10 0  25 o 6.335000 3.836000  -0.000000      0.000000  
1 1 1 -10 0  26 o 4.567000 3.098000  0.000000       0.000000  
1 1 1 -10 0  27 o 5.881000 3.699000  -0.000000      0.000000  
1 1 1 -10 0  28 o 6.510000 4.000000  0.000000       0.000000  
1 1 1 -10 1  1  o 53.50000 0.6229000 -2.203000      1.246000  
1 1 1 -10 1  2  o 151.1000 1.317000  0.8202000      2.633000  
1 1 1 -10 1  3  o 161.4000 1.145000  -3.683000      2.290000  
1 1 1 -10 1  4  o 22.20000 0.7179000 0.2918000      1.436000  
1 1 1 -10 1  5  o 145.3000 1.034000  0.7324000E-01  2.068000  
1 1 1 -10 1  6  o 55.71000 0.5229000 -0.6538000     1.046000  
1 1 1 -10 1  7  o 102.0000 0.9290000 -2.429000      1.858000  
1 1 1 -10 1  8  f 129.2000 1.145000  -0.4550000E-01 2.290000  
1 1 1 -10 1  9  o 87.68000 0.6835000 -0.8191000     1.367000  
1 1 1 -10 1  10 o 39.18000 0.6737000 -0.3115000     1.347000  
1 1 1 -10 1  11 o 42.75000 0.6862000 -0.9496000     1.372000  
1 1 1 -10 1  12 o 39.63000 0.7686000 -1.037000      1.537000  
1 1 1 -10 1  13 o 7.782000 2.285000  1.817000       4.570000  
1 1 1 -10 1  14 o 24.88000 1.491000  -0.4855000     2.983000  
1 1 1 -10 1  15 o 37.51000 1.030000  0.5929000      2.060000  
1 1 1 -10 1  16 o 13.20000 2.394000  0.2380000      4.788000  
1 1 1 -10 1  17 o 18.41000 1.899000  2.571000       3.798000  
1 1 1 -10 1  18 o 15.74000 2.215000  -3.151000      4.429000  
1 1 1 -10 1  19 o 10.17000 2.518000  4.085000       5.036000  
1 1 1 -10 1  20 o 25.57000 1.392000  -1.160000      2.784000  
1 1 1 -10 1  21 o 12.91000 2.626000  1.423000       5.252000  
1 1 1 -10 1  22 o 12.42000 2.405000  -7.138000      4.810000  
1 1 1 -10 1  23 o 14.43000 2.335000  -5.744000      4.669000  
1 1 1 -10 1  24 o 8.647000 2.484000  1.331000       4.968000  
1 1 1 -10 1  25 o 14.58000 2.206000  -5.614000      4.411000  
1 1 1 -10 1  26 o 18.21000 1.906000  -1.985000      3.811000  
1 1 1 -10 1  27 o 8.334000 2.406000  -1.332000      4.811000  
1 1 1 -10 1  28 o 7.981000 2.516000  1.908000       5.032000  
1 1 1 -10 1  29 o 5.867000 2.845000  ?              ?         
1 1 1 -10 2  1  o 18.74000 1.002000  -0.5539000     2.005000  
1 1 1 -10 2  2  o 69.06000 0.5590000 0.9290000      1.118000  
1 1 1 -10 2  3  o 82.53000 0.6272000 3.222000       1.254000  
1 1 1 -10 2  4  o 61.29000 0.5254000 0.2949000      1.051000  
1 1 1 -10 2  5  o 166.5000 1.180000  1.175000       2.361000  
1 1 1 -10 2  6  o 118.8000 0.8582000 2.336000       1.716000  
1 1 1 -10 2  7  o 78.72000 0.6160000 -0.2026000     1.232000  
1 1 1 -10 2  8  o 167.7000 1.193000  1.054000       2.386000  
1 1 1 -10 2  9  o 129.4000 0.9363000 -1.435000      1.873000  
1 1 1 -10 2  10 o 106.9000 0.7970000 2.692000       1.594000  
1 1 1 -10 2  11 o 79.76000 0.6654000 -0.2001000     1.331000  
1 1 1 -10 2  12 o 68.19000 0.6486000 1.247000       1.297000  
1 1 1 -10 2  13 o 72.29000 0.7832000 0.1066000      1.566000  
1 1 1 -10 2  14 o 43.89000 0.9379000 2.398000       1.876000  
1 1 1 -10 2  15 o 73.70000 0.8069000 -1.764000      1.614000  
1 1 1 -10 2  16 o 51.85000 0.9154000 0.8329000      1.831000  
1 1 1 -10 2  17 o 44.19000 0.8439000 1.469000       1.688000  
1 1 1 -10 2  18 o 25.03000 1.375000  1.255000       2.750000  
1 1 1 -10 2  19 o 8.924000 2.458000  -2.418000      4.917000  
1 1 1 -10 2  20 o 38.11000 0.9646000 -1.179000      1.929000  
1 1 1 -10 2  21 o 8.209000 2.418000  -1.116000      4.836000  
1 1 1 -10 2  22 o 10.03000 2.528000  -2.295000      5.055000  
1 1 1 -10 2  23 o 6.274000 2.088000  -0.3235000E-01 4.175000  
1 1 1 -10 2  24 o 9.340000 2.469000  -2.810000      4.939000  
1 1 1 -10 2  25 o 9.084000 2.461000  1.180000       4.922000  
1 1 1 -10 2  26 o 6.539000 2.118000  2.370000       4.237000  
1 1 1 -10 2  27 o 7.896000 2.388000  -0.9037000     4.776000  
1 1 1 -10 2  28 o 6.790000 3.107000  ?              ?         
1 1 1 -10 2  29 o 4.172000 2.123000  ?              ?         
1 1 1 -10 3  1  o 102.7000 0.7521000 0.7977000      1.504000  
1 1 1 -10 3  2  o 167.2000 1.185000  1.183000       2.369000  
1 1 1 -10 3  3  o 48.87000 0.5014000 -0.2247000     1.003000  
1 1 1 -10 3  4  o 108.7000 0.7902000 1.829000       1.580000  
1 1 1 -10 3  5  o 90.57000 0.6786000 0.4588000      1.357000  
1 1 1 -10 3  6  o 14.65000 1.283000  2.482000       2.565000  
1 1 1 -10 3  7  o 40.71000 0.5545000 -0.2534000     1.109000  
1 1 1 -10 3  8  o 56.34000 0.5541000 -1.093000      1.108000  
1 1 1 -10 3  9  o 61.87000 0.5833000 -0.4312000     1.167000  
1 1 1 -10 3  10 o 35.76000 0.6908000 -0.6194000     1.382000  
1 1 1 -10 3  11 o 14.89000 2.211000  -3.698000      4.422000  
1 1 1 -10 3  12 o 40.83000 0.9076000 0.3314000      1.815000  
1 1 1 -10 3  13 o 18.77000 2.034000  -3.577000      4.069000  
1 1 1 -10 3  14 o 13.58000 2.402000  -2.966000      4.804000  
1 1 1 -10 3  15 o 27.71000 1.447000  0.4207000      2.893000  
1 1 1 -10 3  16 f 25.00000 1.804000  -3.721000      3.608000  
1 1 1 -10 3  17 o 34.14000 1.269000  -0.1308000     2.537000  
1 1 1 -10 3  18 o 35.90000 0.9568000 -0.8509000     1.914000  
1 1 1 -10 3  19 o 20.92000 1.642000  4.182000       3.284000  
1 1 1 -10 3  20 o 29.43000 1.276000  -4.725000      2.552000  
1 1 1 -10 3  21 o 12.52000 2.560000  -2.309000      5.120000  
1 1 1 -10 3  22 o 7.405000 2.297000  -1.655000      4.594000  
1 1 1 -10 3  23 o 11.38000 2.546000  -1.422000      5.091000  
1 1 1 -10 3  24 o 15.19000 2.196000  -0.2742000     4.391000  
1 1 1 -10 3  25 o 8.566000 2.328000  -3.029000      4.655000  
1 1 1 -10 3  26 o 5.269000 1.841000  -0.3847000E-01 3.681000  
1 1 1 -10 3  27 o 7.979000 2.568000  0.6191000      5.136000  
1 1 1 -10 3  28 o 7.228000 2.412000  -1.053000      4.825000  
1 1 1 -10 3  29 o 6.101000 2.145000  0.5773000      4.290000  
1 1 1 -10 4  1  o 27.53000 0.6431000 0.4141000      1.286000  
1 1 1 -10 4  2  o 46.61000 0.4970000 1.392000       0.9940000 
1 1 1 -10 4  3  o 63.08000 0.5374000 -1.287000      1.075000  
1 1 1 -10 4  4  f 31.89000 0.5556000 -1.024000      1.111000  
1 1 1 -10 4  5  o 75.03000 0.5979000 0.5793000      1.196000  
1 1 1 -10 4  6  o 54.30000 0.5151000 0.7360000      1.030000  
1 1 1 -10 4  7  o 108.0000 0.7941000 1.368000       1.588000  
1 1 1 -10 4  8  o 61.88000 0.5665000 -1.159000      1.133000  
1 1 1 -10 4  9  o 51.67000 0.5603000 -0.3711000     1.121000  
1 1 1 -10 4  10 f 53.60000 0.7257000 -0.1313000     1.451000  
1 1 1 -10 4  11 o 12.13000 2.359000  ?              ?         
1 1 1 -10 4  12 o 17.61000 1.773000  4.377000       3.547000  
1 1 1 -10 4  13 o 40.22000 0.9648000 0.6329000      1.930000  
1 1 1 -10 4  14 o 57.89000 0.8380000 -1.141000      1.676000  
1 1 1 -10 4  15 o 77.39000 0.8518000 -1.671000      1.704000  
1 1 1 -10 4  16 o 20.85000 2.185000  -6.022000      4.369000  
1 1 1 -10 4  17 o 73.93000 0.8636000 0.6294000      1.727000  
1 1 1 -10 4  18 o 39.62000 1.113000  1.062000       2.227000  
1 1 1 -10 4  19 o 35.18000 0.9879000 -1.116000      1.976000  
1 1 1 -10 4  20 o 46.52000 0.8690000 -1.953000      1.738000  
1 1 1 -10 4  21 o 9.266000 2.509000  2.569000       5.018000  
1 1 1 -10 4  22 o 10.46000 2.098000  -9.064000      4.196000  
1 1 1 -10 4  23 o 7.914000 2.461000  -1.308000      4.922000  
1 1 1 -10 4  24 o 7.664000 2.296000  0.1272000      4.592000  
1 1 1 -10 4  25 o 8.840000 2.477000  -0.7737000     4.954000  
1 1 1 -10 4  26 o 7.309000 2.330000  -1.295000      4.660000  
1 1 1 -10 4  27 o 5.419000 1.925000  0.1117000      3.850000  
1 1 1 -10 4  28 o 8.434000 2.655000  -2.948000      5.310000  
1 1 1 -10 5  1  o 48.97000 0.5210000 -0.2307000     1.042000  
1 1 1 -10 5  2  o 74.10000 0.5925000 -1.076000      1.185000  
1 1 1 -10 5  3  o 54.62000 0.5032000 -0.9860000     1.006000  
1 1 1 -10 5  4  o 91.70000 0.6864000 1.750000       1.373000  
1 1 1 -10 5  5  o 45.76000 0.4998000 2.677000       0.9996000 
1 1 1 -10 5  6  o 19.57000 0.7867000 4.060000       1.573000  
1 1 1 -10 5  7  o 51.29000 0.5273000 -0.8616000E-01 1.055000  
1 1 1 -10 5  8  o 27.92000 1.036000  -0.3644000     2.072000  
1 1 1 -10 5  9  o 25.54000 1.175000  -1.339000      2.349000  
1 1 1 -10 5  10 o 13.14000 2.212000  2.957000       4.423000  
1 1 1 -10 5  11 o 51.85000 0.7710000 1.452000       1.542000  
1 1 1 -10 5  12 o 51.15000 0.8033000 2.101000       1.607000  
1 1 1 -10 5  13 o 15.52000 2.298000  3.017000       4.596000  
1 1 1 -10 5  14 o 18.41000 2.100000  -2.259000      4.199000  
1 1 1 -10 5  15 o 17.96000 2.117000  4.347000       4.234000  
1 1 1 -10 5  16 o 14.10000 2.684000  0.7899000      5.367000  
1 1 1 -10 5  17 o 12.24000 2.690000  6.508000       5.379000  
1 1 1 -10 5  18 o 15.27000 2.490000  -3.643000      4.980000  
1 1 1 -10 5  19 o 37.91000 1.168000  -1.383000      2.335000  
1 1 1 -10 5  20 o 30.31000 1.274000  -0.7418000     2.548000  
1 1 1 -10 5  21 o 22.00000 1.683000  1.485000       3.367000  
1 1 1 -10 5  22 o 18.45000 2.065000  3.021000       4.129000  
1 1 1 -10 5  23 o 19.30000 1.923000  -1.327000      3.847000  
1 1 1 -10 5  24 o 11.47000 2.590000  -3.652000      5.179000  
1 1 1 -10 5  25 o 7.972000 2.440000  -0.9804000E-01 4.879000  
1 1 1 -10 5  26 o 6.202000 2.135000  -1.890000      4.271000  
1 1 1 -10 5  27 o 7.823000 2.535000  2.666000       5.070000  
1 1 1 -10 5  28 o 7.765000 2.515000  -2.948000      5.030000  
1 1 1 -10 6  1  o 80.92000 0.6314000 1.066000       1.263000  
1 1 1 -10 6  2  o 65.52000 0.5562000 0.1457000      1.112000  
1 1 1 -10 6  3  o 36.42000 0.4870000 0.9694000      0.9740000 
1 1 1 -10 6  4  o 47.52000 0.4933000 0.9248000      0.9865000 
1 1 1 -10 6  5  o 61.31000 0.5367000 1.934000       1.073000  
1 1 1 -10 6  6  o 39.04000 0.8350000 -1.772000      1.670000  
1 1 1 -10 6  7  o 62.15000 0.7371000 -1.160000      1.474000  
1 1 1 -10 6  8  o 54.09000 0.7552000 0.3286000      1.510000  
1 1 1 -10 6  9  o 89.89000 0.8511000 1.738000       1.702000  
1 1 1 -10 6  10 o 33.77000 1.067000  -0.8281000     2.134000  
1 1 1 -10 6  11 o 88.28000 0.8457000 1.459000       1.691000  
1 1 1 -10 6  12 o 86.55000 0.8552000 1.514000       1.710000  
1 1 1 -10 6  13 o 86.60000 0.8520000 -3.954000      1.704000  
1 1 1 -10 6  14 o 75.08000 0.8531000 0.9088000      1.706000  
1 1 1 -10 6  15 f 64.27000 0.8719000 0.5792000      1.744000  
1 1 1 -10 6  16 o 22.18000 2.076000  -3.164000      4.151000  
1 1 1 -10 6  17 o 28.93000 1.533000  -5.153000      3.067000  
1 1 1 -10 6  18 o 19.46000 2.111000  9.735000       4.222000  
1 1 1 -10 6  19 o 30.96000 1.041000  2.767000       2.082000  
1 1 1 -10 6  20 o 14.97000 2.336000  3.537000       4.672000  
1 1 1 -10 6  21 o 8.219000 2.444000  -3.190000      4.887000  
1 1 1 -10 6  22 o 9.896000 2.281000  5.375000       4.561000  
1 1 1 -10 6  23 f 15.16000 2.281000  -6.240000      4.563000  
1 1 1 -10 6  24 o 6.902000 2.260000  -0.6300000     4.520000  
1 1 1 -10 6  25 o 8.298000 2.531000  3.605000       5.062000  
1 1 1 -10 6  26 o 6.806000 2.284000  -0.8684000     4.568000  
1 1 1 -10 6  27 o 5.335000 1.894000  -0.2007000E-02 3.788000  
1 1 1 -10 7  1  f 113.9000 0.8346000 0.9091000E-01  1.669000  
1 1 1 -10 7  2  o 48.46000 0.5110000 0.4727000      1.022000  
1 1 1 -10 7  3  o 50.00000 0.7808000 1.958000       1.562000  
1 1 1 -10 7  4  o 97.50000 0.9346000 -3.221000      1.869000  
1 1 1 -10 7  5  o 50.21000 0.9762000 1.703000       1.952000  
1 1 1 -10 7  6  f 23.29000 1.703000  2.021000       3.406000  
1 1 1 -10 7  7  o 74.41000 0.9484000 -3.202000      1.897000  
1 1 1 -10 7  8  o 29.90000 1.030000  0.3323000      2.060000  
1 1 1 -10 7  9  o 37.44000 0.9254000 3.611000       1.851000  
1 1 1 -10 7  10 o 29.14000 1.203000  2.774000       2.406000  
1 1 1 -10 7  11 o 12.91000 2.321000  1.988000       4.643000  
1 1 1 -10 7  12 o 18.03000 1.922000  6.764000       3.845000  
1 1 1 -10 7  13 o 11.66000 2.337000  -2.689000      4.674000  
1 1 1 -10 7  14 o 23.00000 1.841000  -2.506000      3.682000  
1 1 1 -10 7  15 o 32.17000 1.297000  -0.1266000E-02 2.595000  
1 1 1 -10 7  16 o 19.97000 2.152000  -4.224000      4.305000  
1 1 1 -10 7  17 o 14.70000 2.017000  7.052000       4.034000  
1 1 1 -10 7  18 o 18.12000 1.729000  -0.5163000     3.457000  
1 1 1 -10 7  19 o 15.81000 1.897000  -0.5046000     3.793000  
1 1 1 -10 7  20 o 8.079000 2.320000  1.559000       4.641000  
1 1 1 -10 7  21 o 8.201000 2.336000  1.163000       4.672000  
1 1 1 -10 7  22 o 7.217000 2.278000  -1.390000      4.557000  
1 1 1 -10 7  23 o 6.681000 2.197000  -1.543000      4.394000  
1 1 1 -10 7  24 o 10.29000 2.817000  0.2399000      5.634000  
1 1 1 -10 7  25 f 8.630000 2.634000  -0.7128000     5.268000  
1 1 1 -10 7  26 f 6.257000 2.146000  -1.225000      4.292000  
1 1 1 -10 7  27 o 7.825000 2.483000  -2.367000      4.966000  
1 1 1 -10 8  1  o 34.76000 0.6099000 -0.3113000     1.220000  
1 1 1 -10 8  2  o 55.42000 0.5385000 1.126000       1.077000  
1 1 1 -10 8  3  o 36.51000 0.8620000 2.103000       1.724000  
1 1 1 -10 8  4  o 45.68000 1.016000  -3.050000      2.032000  
1 1 1 -10 8  5  o 17.37000 2.447000  1.920000       4.894000  
1 1 1 -10 8  6  o 56.90000 0.9496000 0.1380000      1.899000  
1 1 1 -10 8  7  o 119.5000 1.274000  -4.746000      2.548000  
1 1 1 -10 8  8  o 20.24000 2.369000  10.37000       4.739000  
1 1 1 -10 8  9  o 21.25000 1.583000  -0.4898000     3.167000  
1 1 1 -10 8  10 o 24.92000 1.393000  2.101000       2.787000  
1 1 1 -10 8  11 o 34.43000 1.064000  -0.1829000     2.128000  
1 1 1 -10 8  12 o 9.779000 2.521000  2.858000       5.042000  
1 1 1 -10 8  13 o 55.00000 0.9602000 -0.8288000     1.920000  
1 1 1 -10 8  14 f 62.64000 0.8576000 -1.256000      1.715000  
1 1 1 -10 8  15 o 18.86000 1.365000  0.3938000      2.730000  
1 1 1 -10 8  16 o 31.79000 0.8978000 0.8752000      1.796000  
1 1 1 -10 8  17 o 11.82000 2.139000  -5.781000      4.278000  
1 1 1 -10 8  18 o 23.32000 1.231000  1.676000       2.462000  
1 1 1 -10 8  19 o 7.654000 2.235000  1.799000       4.471000  
1 1 1 -10 8  20 o 10.70000 2.335000  3.891000       4.670000  
1 1 1 -10 8  21 o 7.971000 2.321000  -0.2715000     4.642000  
1 1 1 -10 8  22 o 8.526000 2.529000  -1.318000      5.058000  
1 1 1 -10 8  23 o 7.059000 2.296000  0.8931000      4.593000  
1 1 1 -10 8  24 o 5.607000 1.952000  -0.5782000     3.904000  
1 1 1 -10 8  25 o 6.621000 2.226000  1.400000       4.452000  
1 1 1 -10 8  26 o 6.083000 2.100000  -0.1719000     4.200000  
1 1 1 -10 9  1  o 74.99000 0.7505000 -0.1479000     1.501000  
1 1 1 -10 9  2  o 111.7000 0.9674000 1.548000       1.935000  
1 1 1 -10 9  3  o 82.77000 0.9820000 0.5354000      1.964000  
1 1 1 -10 9  4  o 18.10000 2.329000  -2.840000      4.658000  
1 1 1 -10 9  5  o 40.01000 1.163000  0.2961000      2.326000  
1 1 1 -10 9  6  o 64.10000 0.9763000 0.2519000      1.953000  
1 1 1 -10 9  7  o 44.74000 1.084000  -0.1897000     2.169000  
1 1 1 -10 9  8  o 8.799000 2.698000  -0.6257000     5.395000  
1 1 1 -10 9  9  o 45.27000 1.114000  -3.364000      2.227000  
1 1 1 -10 9  10 o 17.33000 2.212000  -4.065000      4.424000  
1 1 1 -10 9  11 o 15.04000 2.216000  -0.3593000     4.432000  
1 1 1 -10 9  12 o 13.19000 2.385000  -1.050000      4.771000  
1 1 1 -10 9  13 o 12.28000 1.795000  0.5311000      3.589000  
1 1 1 -10 9  14 o 8.137000 2.114000  1.195000       4.229000  
1 1 1 -10 9  15 o 9.969000 2.095000  -3.284000      4.189000  
1 1 1 -10 9  16 o 7.766000 2.137000  1.315000       4.273000  
1 1 1 -10 9  17 o 14.54000 1.844000  -2.023000      3.688000  
1 1 1 -10 9  18 o 14.76000 1.968000  -3.642000      3.936000  
1 1 1 -10 9  19 o 10.64000 2.362000  -0.5351000     4.724000  
1 1 1 -10 9  20 o 16.63000 1.829000  5.629000       3.658000  
1 1 1 -10 9  21 o 9.341000 2.485000  -3.008000      4.970000  
1 1 1 -10 9  22 o 7.793000 2.364000  -2.731000      4.727000  
1 1 1 -10 9  23 o 5.664000 1.957000  1.765000       3.913000  
1 1 1 -10 9  24 o 5.662000 1.947000  -1.659000      3.894000  
1 1 1 -10 9  25 o 8.021000 2.495000  -0.8334000     4.990000  
1 1 1 -10 9  26 o 6.082000 2.090000  -0.8069000     4.181000  
1 1 1 -10 10 1  o 17.18000 1.682000  -0.9150000     3.364000  
1 1 1 -10 10 2  o 42.10000 0.7445000 0.8265000E-01  1.489000  
1 1 1 -10 10 3  o 56.13000 0.9519000 0.7235000      1.904000  
1 1 1 -10 10 4  o 52.89000 0.9726000 2.035000       1.945000  
1 1 1 -10 10 5  f 52.08000 1.016000  0.8855000      2.032000  
1 1 1 -10 10 6  o 35.81000 1.285000  1.603000       2.569000  
1 1 1 -10 10 7  o 18.12000 2.537000  0.3183000      5.073000  
1 1 1 -10 10 8  o 35.32000 1.305000  -0.8678000     2.610000  
1 1 1 -10 10 9  o 64.40000 1.019000  -2.071000      2.037000  
1 1 1 -10 10 10 o 28.88000 1.219000  1.096000       2.438000  
1 1 1 -10 10 11 o 19.71000 1.838000  -0.9852000     3.676000  
1 1 1 -10 10 12 o 9.076000 1.946000  2.433000       3.893000  
1 1 1 -10 10 13 o 12.44000 1.740000  1.385000       3.480000  
1 1 1 -10 10 14 o 6.923000 1.951000  3.601000       3.901000  
1 1 1 -10 10 15 o 23.60000 1.004000  -0.8050000     2.008000  
1 1 1 -10 10 16 o 15.21000 1.639000  1.757000       3.279000  
1 1 1 -10 10 17 o 17.29000 1.478000  -0.5552000E-02 2.956000  
1 1 1 -10 10 18 o 7.890000 2.200000  1.680000       4.401000  
1 1 1 -10 10 19 o 12.96000 2.276000  2.996000       4.553000  
1 1 1 -10 10 20 o 6.058000 2.020000  1.725000       4.041000  
1 1 1 -10 10 21 o 7.462000 2.262000  -2.965000      4.525000  
1 1 1 -10 10 22 o 8.062000 2.341000  -4.087000      4.681000  
1 1 1 -10 10 23 o 7.506000 2.321000  2.286000       4.642000  
1 1 1 -10 10 24 o 7.811000 2.407000  1.561000       4.814000  
1 1 1 -10 10 25 o 5.386000 1.887000  -0.3689000     3.775000  
1 1 1 -10 11 1  o 54.44000 0.7044000 -1.497000      1.409000  
1 1 1 -10 11 2  o 30.83000 0.8809000 -0.8831000     1.762000  
1 1 1 -10 11 3  o 21.81000 1.219000  -1.685000      2.437000  
1 1 1 -10 11 4  o 25.13000 1.755000  -0.2751000     3.510000  
1 1 1 -10 11 5  o 21.14000 1.938000  1.339000       3.876000  
1 1 1 -10 11 6  o 38.71000 1.204000  -1.002000      2.409000  
1 1 1 -10 11 7  o 23.13000 1.908000  3.845000       3.816000  
1 1 1 -10 11 8  o 8.533000 2.644000  1.137000       5.287000  
1 1 1 -10 11 9  o 40.34000 1.150000  1.650000       2.300000  
1 1 1 -10 11 10 o 34.68000 0.9868000 2.254000       1.974000  
1 1 1 -10 11 11 o 8.866000 1.656000  3.533000       3.313000  
1 1 1 -10 11 12 o 7.119000 1.874000  0.8296000E-01  3.748000  
1 1 1 -10 11 13 o 20.73000 0.9969000 2.274000       1.994000  
1 1 1 -10 11 14 o 7.440000 1.928000  4.108000       3.856000  
1 1 1 -10 11 15 o 12.28000 1.835000  -3.749000      3.670000  
1 1 1 -10 11 16 o 7.697000 2.093000  -0.7806000     4.187000  
1 1 1 -10 11 17 o 7.160000 2.022000  -1.791000      4.044000  
1 1 1 -10 11 18 o 5.363000 1.811000  1.752000       3.622000  
1 1 1 -10 11 19 o 19.69000 1.571000  -3.427000      3.143000  
1 1 1 -10 11 20 o 11.24000 2.334000  -5.787000      4.669000  
1 1 1 -10 11 21 o 7.771000 2.166000  -4.839000      4.332000  
1 1 1 -10 11 22 o 8.490000 2.413000  2.810000       4.826000  
1 1 1 -10 11 23 o 5.389000 1.871000  -1.229000      3.741000  
1 1 1 -10 12 1  o 28.50000 0.9631000 -2.270000      1.926000  
1 1 1 -10 12 2  o 47.69000 0.6983000 -1.871000      1.397000  
1 1 1 -10 12 3  o 39.30000 0.7768000 -3.492000      1.554000  
1 1 1 -10 12 4  o 28.17000 0.9813000 -0.1956000     1.963000  
1 1 1 -10 12 5  o 8.066000 2.486000  0.3558000      4.973000  
1 1 1 -10 12 6  o 14.00000 2.651000  -4.954000      5.302000  
1 1 1 -10 12 7  o 33.97000 1.347000  -6.003000      2.693000  
1 1 1 -10 12 8  o 10.07000 2.776000  0.1221000      5.552000  
1 1 1 -10 12 9  o 9.946000 2.796000  0.5129000      5.592000  
1 1 1 -10 12 10 o 6.986000 1.607000  2.281000       3.214000  
1 1 1 -10 12 11 o 11.83000 1.349000  5.482000       2.697000  
1 1 1 -10 12 12 o 12.36000 1.460000  -2.038000      2.920000  
1 1 1 -10 12 13 o 25.16000 0.8030000 -0.8153000     1.606000  
1 1 1 -10 12 14 o 19.26000 1.083000  -0.7109000     2.166000  
1 1 1 -10 12 15 o 17.89000 1.237000  2.659000       2.474000  
1 1 1 -10 12 17 o 10.65000 2.165000  6.345000       4.330000  
1 1 1 -10 12 18 o 10.38000 2.040000  -7.483000      4.080000  
1 1 1 -10 12 19 o 14.45000 2.069000  0.6757000      4.138000  
1 1 1 -10 12 20 o 11.08000 3.457000  ?              ?         
1 1 1 -10 13 1  o 56.92000 0.6919000 -1.436000      1.384000  
1 1 1 -10 13 2  o 28.44000 0.9109000 -3.861000      1.822000  
1 1 1 -10 13 3  o 28.84000 0.9696000 -1.233000      1.939000  
1 1 1 -10 13 4  o 11.71000 1.935000  -0.9487000     3.871000  
1 1 1 -10 13 5  o 7.920000 1.647000  4.468000       3.294000  
1 1 1 -10 13 6  o 14.44000 2.803000  -0.2752000     5.605000  
1 1 1 -10 13 7  o 18.25000 2.276000  -0.6545000     4.551000  
1 1 1 -10 13 8  o 5.146000 1.411000  1.324000       2.821000  
1 1 1 -10 13 9  o 4.942000 1.447000  2.428000       2.894000  
1 1 1 -10 13 10 o 20.48000 0.7242000 2.782000       1.448000  
1 1 1 -10 13 11 o 8.762000 1.537000  -4.876000      3.073000  
1 1 1 -10 13 12 o 12.41000 1.413000  -0.3011000     2.826000  
1 1 1 -10 13 13 o 9.276000 1.906000  2.458000       3.811000  
1 1 1 -10 13 14 o 8.484000 1.933000  6.374000       3.865000  
1 1 1 -10 13 15 o 8.909000 2.115000  4.837000       4.229000  
1 1 1 -10 14 1  o 10.78000 2.093000  -0.3797000     4.186000  
1 1 1 -10 14 2  o 5.797000 1.831000  -0.6582000     3.662000  
1 1 1 -10 14 3  o 24.57000 1.014000  -0.6339000     2.027000  
1 1 1 -10 14 4  o 17.50000 1.602000  0.5198000      3.204000  
1 1 1 -10 14 5  o 9.696000 2.062000  -6.085000      4.123000  
1 1 1 -10 14 6  o 16.59000 1.755000  1.692000       3.511000  
1 1 1 -10 14 7  o 12.14000 2.138000  -2.550000      4.276000  
1 1 1 -10 14 8  o 10.01000 1.487000  0.2429000      2.973000  
1 1 1 -10 14 9  o 4.632000 1.463000  1.507000       2.926000  
1 1 1 -10 14 10 o 14.30000 1.107000  0.5530000      2.214000  
1 1 1 -10 14 11 o 23.48000 0.8054000 -0.6293000     1.611000  
1 1 1 -10 15 1  o 7.015000 2.113000  -3.326000      4.227000  
1 1 1 -10 15 2  o 7.127000 2.013000  -0.2839000     4.026000  
1 1 1 -10 15 3  o 14.63000 1.751000  -1.031000      3.501000  
1 1 1 -10 15 4  o 11.91000 2.040000  -0.5472000E-01 4.080000  
1 1 1 -10 15 5  o 7.508000 2.167000  -2.366000      4.334000  
1 1 1 -10 15 6  o 11.33000 2.103000  2.609000       4.205000  
1 1 1 -9  0  1  f 43.32000 0.7193000 0.000000       0.000000  
1 1 1 -9  0  2  o 4.651000 2.893000  0.000000       0.000000  
1 1 1 -9  0  3  o 21.21000 1.019000  -0.000000      0.000000  
1 1 1 -9  0  4  o 23.45000 0.9659000 -0.000000      0.000000  
1 1 1 -9  0  5  o 6.059000 3.026000  0.000000       0.000000  
1 1 1 -9  0  6  o 5.196000 3.235000  0.000000       0.000000  
1 1 1 -9  0  7  o 53.69000 1.036000  -0.000000      0.000000  
1 1 1 -9  0  8  o 4.197000 2.704000  0.000000       0.000000  
1 1 1 -9  0  9  o 13.61000 2.266000  0.000000       0.000000  
1 1 1 -9  0  10 o 112.8000 1.174000  -0.000000      0.000000  
1 1 1 -9  0  11 o 5.778000 3.394000  0.000000       0.000000  
1 1 1 -9  0  12 o 4.725000 3.102000  -0.000000      0.000000  
1 1 1 -9  0  13 o 56.60000 0.9471000 0.000000       0.000000  
1 1 1 -9  0  14 o 45.01000 1.016000  0.000000       0.000000  
1 1 1 -9  0  15 o 71.16000 0.9550000 -0.000000      0.000000  
1 1 1 -9  0  16 o 54.53000 1.041000  0.000000       0.000000  
1 1 1 -9  0  17 f 22.75000 2.070000  -0.000000      0.000000  
1 1 1 -9  0  18 o 11.68000 4.505000  -0.000000      0.000000  
1 1 1 -9  0  19 o 30.44000 1.638000  -0.000000      0.000000  
1 1 1 -9  0  20 o 6.437000 3.923000  0.000000       0.000000  
1 1 1 -9  0  21 o 49.78000 1.149000  0.000000       0.000000  
1 1 1 -9  0  22 o 22.55000 2.421000  0.000000       0.000000  
1 1 1 -9  0  23 f 6.195000 3.863000  0.000000       0.000000  
1 1 1 -9  0  24 o 7.208000 4.235000  0.000000       0.000000  
1 1 1 -9  0  25 o 13.48000 3.910000  0.000000       0.000000  
1 1 1 -9  0  26 o 6.637000 3.863000  0.000000       0.000000  
1 1 1 -9  0  27 o 6.707000 3.935000  0.000000       0.000000  
1 1 1 -9  0  28 o 5.291000 3.504000  0.000000       0.000000  
1 1 1 -9  1  1  o 123.7000 0.8876000 -2.691000      1.775000  
1 1 1 -9  1  2  o 163.4000 1.410000  5.993000       2.821000  
1 1 1 -9  1  3  o 18.35000 0.8675000 3.042000       1.735000  
1 1 1 -9  1  4  o 96.13000 0.7077000 1.821000       1.415000  
1 1 1 -9  1  5  o 76.33000 0.5887000 0.8015000      1.177000  
1 1 1 -9  1  6  o 102.0000 0.7454000 3.272000       1.491000  
1 1 1 -9  1  7  o 58.49000 0.5243000 -1.039000      1.049000  
1 1 1 -9  1  8  o 44.69000 0.5363000 -0.4241000     1.073000  
1 1 1 -9  1  9  o 121.9000 0.8830000 -0.3056000     1.766000  
1 1 1 -9  1  10 o 125.6000 0.9105000 1.377000       1.821000  
1 1 1 -9  1  11 o 30.20000 0.8252000 -1.147000      1.650000  
1 1 1 -9  1  12 o 22.59000 1.213000  6.208000       2.425000  
1 1 1 -9  1  13 o 41.80000 0.8433000 0.4286000      1.687000  
1 1 1 -9  1  14 o 37.42000 0.9290000 1.334000       1.858000  
1 1 1 -9  1  15 o 19.58000 1.545000  2.557000       3.091000  
1 1 1 -9  1  16 o 11.79000 2.518000  -2.216000      5.035000  
1 1 1 -9  1  17 o 9.105000 2.508000  1.134000       5.015000  
1 1 1 -9  1  18 o 9.678000 2.448000  -3.775000      4.897000  
1 1 1 -9  1  19 o 14.19000 2.333000  7.567000       4.667000  
1 1 1 -9  1  20 o 12.61000 2.422000  5.958000       4.844000  
1 1 1 -9  1  21 o 11.26000 2.521000  4.105000       5.042000  
1 1 1 -9  1  22 o 16.73000 2.261000  -7.283000      4.521000  
1 1 1 -9  1  23 o 8.740000 2.502000  -0.6936000     5.005000  
1 1 1 -9  1  24 o 7.120000 2.250000  -2.246000      4.500000  
1 1 1 -9  1  25 o 14.06000 2.331000  2.520000       4.662000  
1 1 1 -9  1  26 o 11.48000 2.476000  -1.206000      4.953000  
1 1 1 -9  1  27 o 9.859000 2.645000  0.3022000      5.290000  
1 1 1 -9  1  28 o 8.465000 2.612000  -1.308000      5.223000  
1 1 1 -9  1  29 o 5.130000 2.584000  ?              ?         
1 1 1 -9  2  1  o 38.18000 0.4815000 1.376000       0.9630000 
1 1 1 -9  2  2  o 58.56000 0.4983000 0.1969000      0.9966000 
1 1 1 -9  2  3  o 30.75000 0.5428000 1.952000       1.086000  
1 1 1 -9  2  4  o 28.74000 0.5424000 -0.7273000     1.085000  
1 1 1 -9  2  5  o 93.65000 0.6908000 0.7465000      1.382000  
1 1 1 -9  2  6  o 65.05000 0.5423000 -0.8208000     1.085000  
1 1 1 -9  2  7  o 23.43000 0.8545000 0.1927000      1.709000  
1 1 1 -9  2  8  o 103.8000 0.7661000 1.525000       1.532000  
1 1 1 -9  2  9  o 73.24000 0.6023000 -0.7162000E-01 1.205000  
1 1 1 -9  2  10 o 84.95000 0.6677000 -1.491000      1.335000  
1 1 1 -9  2  11 o 22.20000 1.245000  1.367000       2.489000  
1 1 1 -9  2  12 o 43.40000 0.7963000 -0.8306000     1.593000  
1 1 1 -9  2  13 o 86.33000 0.8240000 0.2768000      1.648000  
1 1 1 -9  2  14 o 31.74000 1.137000  -0.4899000     2.273000  
1 1 1 -9  2  15 o 92.23000 0.8833000 0.9806000      1.767000  
1 1 1 -9  2  16 o 40.85000 0.8432000 -1.456000      1.686000  
1 1 1 -9  2  17 o 18.67000 1.850000  4.930000       3.700000  
1 1 1 -9  2  18 o 34.42000 1.058000  -3.167000      2.116000  
1 1 1 -9  2  19 o 49.29000 0.8306000 -0.1475000E-01 1.661000  
1 1 1 -9  2  20 o 23.26000 1.474000  -2.236000      2.947000  
1 1 1 -9  2  21 f 18.73000 1.942000  -4.429000      3.884000  
1 1 1 -9  2  22 o 11.65000 2.508000  -3.614000      5.015000  
1 1 1 -9  2  23 o 14.35000 2.776000  -3.741000      5.552000  
1 1 1 -9  2  24 o 11.61000 2.210000  7.888000       4.421000  
1 1 1 -9  2  25 o 6.425000 2.150000  -1.982000      4.301000  
1 1 1 -9  2  26 o 6.606000 2.168000  -1.280000      4.337000  
1 1 1 -9  2  27 o 6.419000 2.145000  -1.851000      4.290000  
1 1 1 -9  2  28 o 6.925000 2.348000  -0.8795000E-01 4.696000  
1 1 1 -9  2  29 o 6.717000 2.305000  3.182000       4.610000  
1 1 1 -9  3  1  o 92.52000 0.6833000 -1.704000      1.367000  
1 1 1 -9  3  2  o 214.0000 1.509000  1.303000       3.019000  
1 1 1 -9  3  3  o 55.89000 0.4915000 1.145000       0.9829000 
1 1 1 -9  3  4  o 81.74000 0.7484000 2.819000       1.497000  
1 1 1 -9  3  5  o 179.0000 1.266000  -1.285000      2.531000  
1 1 1 -9  3  6  o 75.03000 0.5871000 -0.3150000     1.174000  
1 1 1 -9  3  7  o 52.70000 0.5153000 -2.296000      1.031000  
1 1 1 -9  3  8  o 63.86000 0.5530000 1.089000       1.106000  
1 1 1 -9  3  9  o 123.4000 0.8941000 -3.608000      1.788000  
1 1 1 -9  3  10 o 150.5000 1.248000  -0.4084000     2.496000  
1 1 1 -9  3  11 o 90.09000 0.8292000 1.347000       1.658000  
1 1 1 -9  3  12 o 37.36000 0.8404000 ?              ?         
1 1 1 -9  3  13 o 32.96000 1.081000  1.439000       2.163000  
1 1 1 -9  3  14 o 22.71000 1.510000  0.3728000      3.020000  
1 1 1 -9  3  15 o 32.18000 1.266000  -2.480000      2.532000  
1 1 1 -9  3  16 o 15.74000 2.435000  7.538000       4.869000  
1 1 1 -9  3  17 o 27.23000 1.232000  -0.3422000     2.463000  
1 1 1 -9  3  18 o 12.06000 2.562000  -1.194000      5.125000  
1 1 1 -9  3  19 o 18.49000 1.911000  -0.7033000     3.822000  
1 1 1 -9  3  20 o 18.77000 1.860000  -2.964000      3.720000  
1 1 1 -9  3  21 o 9.110000 2.495000  0.9595000      4.990000  
1 1 1 -9  3  22 o 11.29000 2.735000  -3.497000      5.471000  
1 1 1 -9  3  23 o 8.066000 2.469000  -1.763000      4.938000  
1 1 1 -9  3  24 o 11.77000 2.516000  2.574000       5.033000  
1 1 1 -9  3  25 o 8.508000 2.419000  0.1073000      4.838000  
1 1 1 -9  3  26 o 10.11000 2.535000  -5.022000      5.070000  
1 1 1 -9  3  27 o 8.247000 2.632000  0.7474000      5.264000  
1 1 1 -9  3  28 o 6.363000 2.195000  0.1691000E-01  4.389000  
1 1 1 -9  3  29 o 6.921000 2.362000  0.8097000      4.724000  
1 1 1 -9  4  1  o 27.93000 0.6041000 -0.7274000     1.208000  
1 1 1 -9  4  2  o 44.93000 0.4713000 -0.3741000     0.9427000 
1 1 1 -9  4  3  o 39.91000 0.4678000 -0.2662000     0.9356000 
1 1 1 -9  4  4  o 30.66000 0.5158000 -1.538000      1.032000  
1 1 1 -9  4  5  o 72.30000 0.5656000 0.2099000      1.131000  
1 1 1 -9  4  6  o 28.86000 0.5656000 0.8974000      1.131000  
1 1 1 -9  4  7  o 37.73000 0.5288000 -1.254000      1.058000  
1 1 1 -9  4  8  o 67.42000 0.5655000 -0.7451000     1.131000  
1 1 1 -9  4  9  o 46.07000 0.7348000 1.774000       1.470000  
1 1 1 -9  4  10 o 76.42000 0.7486000 1.135000       1.497000  
1 1 1 -9  4  11 o 93.55000 0.8453000 -0.1520000     1.691000  
1 1 1 -9  4  12 o 15.98000 2.001000  6.717000       4.001000  
1 1 1 -9  4  13 o 12.41000 2.576000  7.180000       5.152000  
1 1 1 -9  4  14 o 40.87000 0.9728000 -2.775000      1.946000  
1 1 1 -9  4  15 o 44.50000 0.9740000 1.706000       1.948000  
1 1 1 -9  4  16 o 42.42000 1.098000  0.3101000      2.197000  
1 1 1 -9  4  17 o 9.255000 2.665000  0.6222000      5.330000  
1 1 1 -9  4  18 f 27.75000 1.416000  2.180000       2.832000  
1 1 1 -9  4  19 o 39.86000 0.9742000 -0.9293000E-01 1.948000  
1 1 1 -9  4  20 o 36.65000 1.030000  -4.102000      2.061000  
1 1 1 -9  4  21 o 9.428000 2.596000  -2.762000      5.192000  
1 1 1 -9  4  22 o 39.60000 1.018000  -0.4826000     2.036000  
1 1 1 -9  4  23 o 12.79000 2.470000  4.119000       4.940000  
1 1 1 -9  4  24 o 7.660000 2.346000  -0.1346000     4.691000  
1 1 1 -9  4  25 o 6.926000 2.175000  -4.581000      4.349000  
1 1 1 -9  4  26 o 7.292000 2.297000  -3.779000      4.594000  
1 1 1 -9  4  27 o 8.915000 2.636000  4.704000       5.272000  
1 1 1 -9  4  28 o 8.157000 2.617000  -0.1969000     5.234000  
1 1 1 -9  4  29 o 5.415000 1.930000  -0.9854000     3.861000  
1 1 1 -9  5  1  o 50.95000 0.5002000 -2.842000      1.000000  
1 1 1 -9  5  2  o 75.84000 0.5889000 1.176000       1.178000  
1 1 1 -9  5  3  o 23.34000 0.5675000 -0.2637000     1.135000  
1 1 1 -9  5  4  o 95.66000 0.7112000 1.682000       1.422000  
1 1 1 -9  5  5  o 61.94000 0.5279000 1.481000       1.056000  
1 1 1 -9  5  6  f 124.7000 0.9023000 1.496000       1.805000  
1 1 1 -9  5  7  o 54.38000 0.6809000 0.6575000E-01  1.362000  
1 1 1 -9  5  8  o 159.6000 1.325000  1.119000       2.650000  
1 1 1 -9  5  9  o 104.7000 0.9250000 2.670000       1.850000  
1 1 1 -9  5  10 o 57.44000 0.7390000 -1.775000      1.478000  
1 1 1 -9  5  11 o 118.8000 1.025000  1.074000       2.050000  
1 1 1 -9  5  12 o 44.91000 0.8667000 2.273000       1.733000  
1 1 1 -9  5  13 o 10.87000 2.512000  6.137000       5.024000  
1 1 1 -9  5  14 o 33.14000 1.221000  0.3121000      2.441000  
1 1 1 -9  5  15 o 25.24000 1.660000  0.6854000      3.320000  
1 1 1 -9  5  16 f 19.33000 2.332000  0.6480000      4.664000  
1 1 1 -9  5  17 o 10.97000 2.535000  1.041000       5.069000  
1 1 1 -9  5  18 o 11.38000 2.489000  -2.858000      4.979000  
1 1 1 -9  5  19 o 28.48000 1.274000  3.194000       2.548000  
1 1 1 -9  5  20 o 7.916000 2.411000  -0.7006000     4.821000  
1 1 1 -9  5  21 o 7.689000 2.380000  1.202000       4.761000  
1 1 1 -9  5  22 o 7.511000 2.359000  -2.147000      4.718000  
1 1 1 -9  5  23 o 8.353000 2.440000  0.5626000      4.881000  
1 1 1 -9  5  24 o 7.499000 2.361000  -2.441000      4.721000  
1 1 1 -9  5  25 o 9.324000 2.543000  0.9032000      5.085000  
1 1 1 -9  5  26 o 7.426000 2.434000  -0.6779000     4.867000  
1 1 1 -9  5  27 o 6.451000 2.212000  -0.6569000E-01 4.424000  
1 1 1 -9  5  28 o 7.948000 2.543000  -2.435000      5.085000  
1 1 1 -9  6  1  o 53.90000 0.5098000 0.6880000E-01  1.020000  
1 1 1 -9  6  2  o 24.92000 0.5954000 1.490000       1.191000  
1 1 1 -9  6  3  o 38.35000 0.7323000 1.803000       1.465000  
1 1 1 -9  6  4  o 26.38000 1.015000  1.173000       2.030000  
1 1 1 -9  6  5  o 90.77000 0.8800000 -0.3622000     1.760000  
1 1 1 -9  6  6  o 27.24000 1.074000  -5.406000      2.148000  
1 1 1 -9  6  7  o 59.00000 0.6990000 -2.116000      1.398000  
1 1 1 -9  6  8  o 120.6000 1.038000  2.871000       2.076000  
1 1 1 -9  6  9  o 110.6000 0.9646000 -1.285000      1.929000  
1 1 1 -9  6  10 o 85.34000 0.8239000 -1.296000      1.648000  
1 1 1 -9  6  11 o 45.65000 0.9164000 -5.263000      1.833000  
1 1 1 -9  6  12 o 33.84000 1.130000  -4.209000      2.260000  
1 1 1 -9  6  13 o 8.771000 2.550000  4.568000       5.101000  
1 1 1 -9  6  14 o 83.64000 0.9119000 -1.073000      1.824000  
1 1 1 -9  6  15 o 47.78000 0.7195000 0.3574000      1.439000  
1 1 1 -9  6  16 o 23.04000 1.378000  -4.818000      2.756000  
1 1 1 -9  6  17 o 22.20000 1.496000  -4.556000      2.991000  
1 1 1 -9  6  18 o 41.79000 0.8137000 -1.780000      1.627000  
1 1 1 -9  6  19 o 22.14000 1.510000  7.468000       3.019000  
1 1 1 -9  6  20 o 15.87000 2.183000  2.130000       4.366000  
1 1 1 -9  6  21 o 14.08000 2.175000  -10.77000      4.349000  
1 1 1 -9  6  22 o 36.64000 1.002000  0.7202000      2.004000  
1 1 1 -9  6  23 o 23.58000 1.543000  -0.6526000E-01 3.086000  
1 1 1 -9  6  24 o 5.991000 2.026000  -0.2902000     4.052000  
1 1 1 -9  6  25 o 6.838000 2.283000  1.397000       4.566000  
1 1 1 -9  6  26 o 7.924000 2.520000  0.4364000      5.040000  
1 1 1 -9  6  27 o 5.856000 2.047000  0.1044000      4.095000  
1 1 1 -9  6  28 o 7.123000 2.388000  0.9300000      4.776000  
1 1 1 -9  7  1  o 69.63000 0.5795000 -1.120000      1.159000  
1 1 1 -9  7  2  o 48.84000 0.7166000 0.4197000      1.433000  
1 1 1 -9  7  3  o 49.20000 0.7483000 -1.131000      1.497000  
1 1 1 -9  7  4  o 94.60000 1.040000  0.4304000      2.079000  
1 1 1 -9  7  5  o 81.53000 0.9640000 0.9399000      1.928000  
1 1 1 -9  7  6  o 97.77000 1.081000  -0.7377000     2.162000  
1 1 1 -9  7  7  o 38.82000 1.128000  2.406000       2.255000  
1 1 1 -9  7  8  o 69.28000 0.7599000 -0.4518000     1.520000  
1 1 1 -9  7  9  o 32.56000 1.073000  -3.027000      2.146000  
1 1 1 -9  7  10 o 72.46000 0.7945000 1.787000       1.589000  
1 1 1 -9  7  11 o 8.903000 2.049000  -3.222000      4.097000  
1 1 1 -9  7  12 f 42.37000 1.009000  0.5893000      2.017000  
1 1 1 -9  7  13 o 34.59000 0.7927000 5.087000       1.585000  
1 1 1 -9  7  14 o 19.09000 1.435000  1.481000       2.871000  
1 1 1 -9  7  15 f 12.60000 2.143000  5.001000       4.285000  
1 1 1 -9  7  16 o 30.09000 1.000000  0.9723000      2.001000  
1 1 1 -9  7  17 o 19.49000 1.525000  -1.340000      3.050000  
1 1 1 -9  7  18 f 8.436000 2.238000  -4.067000      4.476000  
1 1 1 -9  7  19 o 15.32000 2.031000  -3.248000      4.062000  
1 1 1 -9  7  20 o 5.793000 1.929000  -1.191000      3.858000  
1 1 1 -9  7  21 o 15.60000 2.177000  0.1369000      4.354000  
1 1 1 -9  7  22 o 12.15000 2.512000  -0.2668000     5.024000  
1 1 1 -9  7  23 o 11.59000 2.545000  0.6532000E-02  5.090000  
1 1 1 -9  7  24 o 10.09000 2.796000  0.9313000E-01  5.592000  
1 1 1 -9  7  25 o 7.634000 2.449000  -1.015000      4.898000  
1 1 1 -9  7  26 o 7.368000 2.412000  0.4280000      4.824000  
1 1 1 -9  7  27 o 10.87000 2.758000  -5.228000      5.517000  
1 1 1 -9  7  28 o 5.578000 1.978000  1.680000       3.956000  
1 1 1 -9  8  1  o 11.13000 1.524000  0.6713000      3.048000  
1 1 1 -9  8  2  o 69.29000 0.7423000 -0.3784000     1.485000  
1 1 1 -9  8  3  o 18.44000 2.177000  -4.346000      4.355000  
1 1 1 -9  8  4  o 46.15000 0.9509000 -3.003000      1.902000  
1 1 1 -9  8  5  o 22.95000 1.703000  -4.550000      3.405000  
1 1 1 -9  8  6  o 28.32000 1.460000  -4.560000      2.920000  
1 1 1 -9  8  7  o 40.40000 1.120000  -0.7007000     2.240000  
1 1 1 -9  8  8  o 28.81000 1.519000  0.3993000      3.039000  
1 1 1 -9  8  9  o 32.50000 1.136000  -3.782000      2.273000  
1 1 1 -9  8  10 o 72.98000 0.8101000 -1.468000      1.620000  
1 1 1 -9  8  11 o 82.09000 0.6766000 -0.9181000     1.353000  
1 1 1 -9  8  12 f 33.01000 0.7583000 2.220000       1.517000  
1 1 1 -9  8  13 o 27.44000 0.9425000 0.2370000      1.885000  
1 1 1 -9  8  14 o 17.29000 1.481000  -0.2070000     2.961000  
1 1 1 -9  8  15 f 49.80000 0.9821000 1.397000       1.964000  
1 1 1 -9  8  16 o 70.77000 0.6783000 1.368000       1.357000  
1 1 1 -9  8  17 o 7.443000 2.127000  4.217000       4.254000  
1 1 1 -9  8  18 f 18.18000 1.616000  -0.5862000E-01 3.232000  
1 1 1 -9  8  19 o 21.28000 1.373000  -2.181000      2.746000  
1 1 1 -9  8  20 o 9.829000 2.412000  1.995000       4.824000  
1 1 1 -9  8  21 o 23.51000 1.510000  4.461000       3.020000  
1 1 1 -9  8  22 o 7.047000 2.229000  -2.399000      4.459000  
1 1 1 -9  8  23 f 14.74000 2.648000  2.042000       5.297000  
1 1 1 -9  8  24 o 8.376000 2.563000  -1.409000      5.126000  
1 1 1 -9  8  25 o 7.657000 2.461000  0.1132000E-01  4.921000  
1 1 1 -9  8  26 o 6.055000 2.086000  2.349000       4.173000  
1 1 1 -9  8  27 o 7.946000 2.533000  -1.814000      5.067000  
1 1 1 -9  9  1  o 99.34000 0.8739000 0.2574000E-01  1.748000  
1 1 1 -9  9  2  o 86.04000 0.7909000 -0.9480000     1.582000  
1 1 1 -9  9  3  o 81.07000 0.9800000 -2.640000      1.960000  
1 1 1 -9  9  4  o 59.29000 0.9258000 -0.6100000     1.852000  
1 1 1 -9  9  5  o 120.3000 1.276000  1.731000       2.553000  
1 1 1 -9  9  6  f 72.81000 0.9747000 1.073000       1.949000  
1 1 1 -9  9  7  o 60.50000 0.9845000 3.066000       1.969000  
1 1 1 -9  9  8  f 41.41000 1.191000  -0.8579000     2.381000  
1 1 1 -9  9  9  o 24.01000 1.342000  2.468000       2.684000  
1 1 1 -9  9  10 o 50.77000 0.5693000 1.262000       1.139000  
1 1 1 -9  9  11 o 27.30000 0.7835000 1.630000       1.567000  
1 1 1 -9  9  12 o 50.58000 0.6112000 -0.2137000E-01 1.222000  
1 1 1 -9  9  13 o 46.58000 0.6481000 0.9773000      1.296000  
1 1 1 -9  9  14 o 14.47000 1.727000  6.034000       3.454000  
1 1 1 -9  9  15 o 18.14000 1.442000  4.248000       2.884000  
1 1 1 -9  9  16 o 27.99000 0.9551000 1.648000       1.910000  
1 1 1 -9  9  17 o 8.483000 2.276000  -0.8533000     4.551000  
1 1 1 -9  9  18 o 7.014000 2.140000  -0.8497000     4.280000  
1 1 1 -9  9  19 o 9.246000 2.357000  -0.6680000E-01 4.715000  
1 1 1 -9  9  20 o 9.969000 2.233000  -4.993000      4.467000  
1 1 1 -9  9  21 o 7.576000 2.278000  4.704000       4.555000  
1 1 1 -9  9  22 o 8.823000 2.573000  2.646000       5.146000  
1 1 1 -9  9  23 o 8.719000 2.436000  -4.553000      4.873000  
1 1 1 -9  9  24 o 10.69000 2.770000  -1.804000      5.540000  
1 1 1 -9  9  25 o 5.962000 2.062000  1.216000       4.124000  
1 1 1 -9  9  26 o 6.847000 2.288000  1.498000       4.576000  
1 1 1 -9  10 1  o 21.30000 1.217000  -2.056000      2.434000  
1 1 1 -9  10 2  o 19.53000 1.448000  2.039000       2.896000  
1 1 1 -9  10 3  o 49.52000 0.7408000 -2.353000      1.482000  
1 1 1 -9  10 4  o 42.34000 1.076000  1.973000       2.152000  
1 1 1 -9  10 5  o 30.56000 1.411000  4.869000       2.823000  
1 1 1 -9  10 6  o 49.79000 1.043000  -0.6261000     2.086000  
1 1 1 -9  10 7  o 11.79000 2.858000  3.567000       5.717000  
1 1 1 -9  10 8  o 28.98000 1.685000  3.469000       3.371000  
1 1 1 -9  10 9  o 31.48000 0.5424000 0.1369000      1.085000  
1 1 1 -9  10 10 o 7.178000 1.794000  3.190000       3.587000  
1 1 1 -9  10 11 o 6.697000 1.898000  0.1467000      3.796000  
1 1 1 -9  10 12 o 21.17000 1.010000  -1.819000      2.020000  
1 1 1 -9  10 13 o 14.53000 1.537000  2.328000       3.074000  
1 1 1 -9  10 14 o 29.71000 0.8031000 -0.2694000     1.606000  
1 1 1 -9  10 15 o 26.67000 1.611000  -3.602000      3.222000  
1 1 1 -9  10 16 o 9.652000 1.892000  -7.166000      3.783000  
1 1 1 -9  10 17 o 8.579000 2.211000  -1.632000      4.422000  
1 1 1 -9  10 18 o 8.025000 2.242000  1.863000       4.484000  
1 1 1 -9  10 19 o 9.249000 2.146000  -4.665000      4.293000  
1 1 1 -9  10 20 o 9.294000 2.442000  -0.8499000E-01 4.884000  
1 1 1 -9  10 21 o 9.610000 2.371000  -5.587000      4.741000  
1 1 1 -9  10 22 o 7.296000 2.310000  1.126000       4.621000  
1 1 1 -9  10 23 o 9.622000 2.644000  -0.7309000     5.289000  
1 1 1 -9  10 24 o 8.514000 2.556000  3.047000       5.113000  
1 1 1 -9  10 25 o 7.277000 2.326000  4.129000       4.651000  
1 1 1 -9  11 1  o 53.86000 0.7005000 0.1273000      1.401000  
1 1 1 -9  11 2  o 22.99000 1.159000  -0.7595000     2.319000  
1 1 1 -9  11 3  o 66.15000 0.7386000 -2.565000      1.477000  
1 1 1 -9  11 4  o 92.92000 0.9108000 0.6043000      1.822000  
1 1 1 -9  11 5  f 72.92000 0.9685000 1.218000       1.937000  
1 1 1 -9  11 6  o 53.36000 1.020000  -1.732000      2.040000  
1 1 1 -9  11 7  o 20.21000 2.276000  3.710000       4.551000  
1 1 1 -9  11 8  o 26.04000 0.5462000 0.2318000      1.092000  
1 1 1 -9  11 9  o 57.56000 0.5556000 2.649000       1.111000  
1 1 1 -9  11 10 o 31.90000 0.5825000 0.3250000      1.165000  
1 1 1 -9  11 11 o 8.475000 1.887000  3.266000       3.775000  
1 1 1 -9  11 12 o 20.88000 0.9789000 0.9591000      1.958000  
1 1 1 -9  11 13 o 7.305000 2.034000  1.061000       4.068000  
1 1 1 -9  11 14 o 18.48000 1.286000  -1.684000      2.571000  
1 1 1 -9  11 15 o 9.855000 2.190000  -4.725000      4.379000  
1 1 1 -9  11 16 o 8.078000 2.110000  -1.350000      4.219000  
1 1 1 -9  11 17 o 7.854000 2.005000  -4.603000      4.010000  
1 1 1 -9  11 18 o 7.964000 2.181000  -2.100000      4.362000  
1 1 1 -9  11 19 o 12.12000 2.451000  4.770000       4.902000  
1 1 1 -9  11 20 o 9.762000 2.496000  2.032000       4.992000  
1 1 1 -9  11 21 o 9.107000 2.497000  -2.462000      4.995000  
1 1 1 -9  11 22 o 7.507000 2.323000  -1.726000      4.645000  
1 1 1 -9  11 23 o 7.141000 2.218000  3.859000       4.436000  
1 1 1 -9  11 24 o 7.325000 2.254000  -4.244000      4.508000  
1 1 1 -9  11 25 o 5.663000 1.974000  1.150000       3.947000  
1 1 1 -9  12 1  o 25.08000 1.074000  -1.641000      2.148000  
1 1 1 -9  12 2  o 18.56000 1.353000  -3.626000      2.706000  
1 1 1 -9  12 3  o 17.26000 1.711000  -1.182000      3.423000  
1 1 1 -9  12 4  o 31.16000 0.9006000 -2.571000      1.801000  
1 1 1 -9  12 5  o 19.95000 1.731000  3.791000       3.463000  
1 1 1 -9  12 6  o 11.71000 2.198000  0.3780000      4.397000  
1 1 1 -9  12 7  o 44.64000 0.5289000 0.3115000E-01  1.058000  
1 1 1 -9  12 8  o 23.80000 0.6608000 0.6235000      1.322000  
1 1 1 -9  12 9  o 34.19000 0.5530000 -0.1230000     1.106000  
1 1 1 -9  12 10 o 24.42000 1.374000  5.305000       2.747000  
1 1 1 -9  12 11 o 11.86000 1.610000  -2.057000      3.220000  
1 1 1 -9  12 12 o 6.780000 1.865000  -2.099000      3.729000  
1 1 1 -9  12 13 o 24.14000 1.669000  -4.674000      3.339000  
1 1 1 -9  12 14 o 23.77000 0.9618000 1.247000       1.924000  
1 1 1 -9  12 15 o 9.169000 2.096000  -1.658000      4.193000  
1 1 1 -9  12 16 o 9.398000 1.978000  -4.839000      3.956000  
1 1 1 -9  12 17 o 14.45000 1.995000  -2.678000      3.989000  
1 1 1 -9  12 18 o 8.424000 2.106000  -6.779000      4.211000  
1 1 1 -9  12 19 o 7.415000 2.178000  3.466000       4.355000  
1 1 1 -9  12 20 o 7.092000 2.190000  1.627000       4.380000  
1 1 1 -9  12 21 o 11.47000 2.468000  -0.3675000     4.936000  
1 1 1 -9  12 22 o 9.368000 2.523000  1.479000       5.045000  
1 1 1 -9  12 23 o 5.481000 1.892000  0.1400000      3.785000  
1 1 1 -9  13 1  o 7.260000 1.909000  2.428000       3.818000  
1 1 1 -9  13 2  o 53.82000 0.6951000 -0.2287000     1.390000  
1 1 1 -9  13 3  o 39.81000 0.7824000 0.2132000      1.565000  
1 1 1 -9  13 4  o 30.07000 0.9314000 0.9221000      1.863000  
1 1 1 -9  13 5  o 27.20000 1.183000  1.620000       2.365000  
1 1 1 -9  13 6  o 50.48000 0.5481000 -0.8426000     1.096000  
1 1 1 -9  13 7  o 42.67000 0.5474000 -0.9760000     1.095000  
1 1 1 -9  13 8  o 17.81000 0.9315000 1.358000       1.863000  
1 1 1 -9  13 9  o 13.85000 1.199000  1.001000       2.398000  
1 1 1 -9  13 10 o 7.962000 1.850000  1.744000       3.700000  
1 1 1 -9  13 11 o 5.704000 1.731000  1.298000       3.461000  
1 1 1 -9  13 12 o 8.403000 1.893000  2.505000       3.786000  
1 1 1 -9  13 13 o 19.41000 1.061000  0.3633000      2.123000  
1 1 1 -9  13 14 o 23.59000 0.9319000 -0.5726000     1.864000  
1 1 1 -9  13 15 o 5.893000 1.906000  1.619000       3.813000  
1 1 1 -9  13 16 o 9.368000 2.259000  -3.120000      4.518000  
1 1 1 -9  13 17 o 6.118000 1.974000  -1.076000      3.947000  
1 1 1 -9  13 18 o 16.44000 1.815000  6.608000       3.630000  
1 1 1 -9  13 19 o 16.07000 1.911000  0.8969000      3.822000  
1 1 1 -9  13 20 o 6.435000 2.074000  -1.923000      4.149000  
1 1 1 -9  14 1  o 12.82000 2.055000  -1.838000      4.110000  
1 1 1 -9  14 2  o 10.98000 2.134000  0.7583000      4.268000  
1 1 1 -9  14 3  o 6.533000 2.015000  -2.674000      4.031000  
1 1 1 -9  14 4  o 26.35000 1.084000  -0.8388000     2.169000  
1 1 1 -9  14 5  o 17.55000 1.145000  0.2431000      2.291000  
1 1 1 -9  14 6  o 7.616000 1.911000  1.605000       3.822000  
1 1 1 -9  14 7  o 14.96000 1.246000  -4.167000      2.491000  
1 1 1 -9  14 8  o 8.864000 1.595000  -6.074000      3.190000  
1 1 1 -9  14 9  o 21.31000 0.8478000 1.385000       1.696000  
1 1 1 -9  14 10 o 7.606000 1.772000  4.519000       3.545000  
1 1 1 -9  14 11 o 17.53000 1.067000  -1.171000      2.133000  
1 1 1 -9  14 12 o 13.07000 1.492000  -1.109000      2.985000  
1 1 1 -9  14 13 o 18.60000 1.200000  -1.222000      2.400000  
1 1 1 -9  14 14 o 9.667000 3.221000  ?              ?         
1 1 1 -9  14 15 o 20.42000 1.613000  1.745000       3.225000  
1 1 1 -9  14 16 o 14.29000 2.046000  -9.233000      4.091000  
1 1 1 -9  15 1  o 7.566000 2.196000  -4.529000      4.391000  
1 1 1 -9  15 2  o 15.28000 1.829000  -1.489000      3.659000  
1 1 1 -9  15 3  o 21.34000 1.215000  -1.226000      2.429000  
1 1 1 -9  15 4  o 10.84000 1.773000  -1.983000      3.546000  
1 1 1 -9  15 5  o 6.557000 1.849000  2.260000       3.699000  
1 1 1 -9  15 6  o 9.927000 1.886000  -1.423000      3.772000  
1 1 1 -9  15 7  o 16.72000 1.127000  1.969000       2.255000  
1 1 1 -9  15 8  o 19.25000 0.9701000 2.881000       1.940000  
1 1 1 -9  15 9  o 21.81000 0.9895000 -3.436000      1.979000  
1 1 1 -9  15 10 o 11.73000 1.800000  -1.909000      3.600000  
1 1 1 -9  15 11 o 8.240000 2.055000  1.141000       4.110000  
1 1 1 -9  15 12 o 6.008000 2.600000  ?              ?         
1 1 1 -9  16 1  o 10.38000 2.415000  -4.605000      4.829000  
1 1 1 -9  16 2  o 7.154000 2.198000  -3.633000      4.396000  
1 1 1 -9  16 3  o 10.15000 1.941000  -4.008000      3.883000  
1 1 1 -9  16 4  o 5.820000 1.807000  1.886000       3.614000  
1 1 1 -9  16 5  o 12.76000 1.985000  -4.203000      3.969000  
1 1 1 -9  16 6  o 9.897000 2.150000  3.179000       4.299000  
1 1 1 -9  16 7  o 5.872000 2.599000  ?              ?         
1 1 1 -9  17 1  o 10.09000 3.607000  ?              ?         
1 1 1 -8  0  1  o 67.14000 0.7464000 -0.000000      0.000000  
1 1 1 -8  0  2  o 63.39000 0.7116000 0.000000       0.000000  
1 1 1 -8  0  3  f 224.1000 3.158000  -0.000000      0.000000  
1 1 1 -8  0  4  o 24.25000 0.8723000 0.000000       0.000000  
1 1 1 -8  0  5  o 53.50000 0.6826000 -0.000000      0.000000  
1 1 1 -8  0  6  o 44.55000 0.6782000 -0.000000      0.000000  
1 1 1 -8  0  7  o 6.920000 3.142000  0.000000       0.000000  
1 1 1 -8  0  8  o 43.30000 1.111000  0.000000       0.000000  
1 1 1 -8  0  9  f 6.208000 3.327000  0.000000       0.000000  
1 1 1 -8  0  10 o 57.64000 0.8023000 0.000000       0.000000  
1 1 1 -8  0  11 o 6.431000 3.481000  0.000000       0.000000  
1 1 1 -8  0  12 o 31.50000 1.120000  -0.000000      0.000000  
1 1 1 -8  0  13 o 9.985000 3.466000  0.000000       0.000000  
1 1 1 -8  0  14 o 16.93000 2.285000  0.000000       0.000000  
1 1 1 -8  0  15 o 85.29000 1.013000  0.000000       0.000000  
1 1 1 -8  0  16 o 16.70000 2.726000  0.000000       0.000000  
1 1 1 -8  0  17 f 32.14000 1.537000  0.000000       0.000000  
1 1 1 -8  0  18 o 65.39000 1.025000  -0.000000      0.000000  
1 1 1 -8  0  19 o 25.79000 1.934000  -0.000000      0.000000  
1 1 1 -8  0  20 o 19.56000 2.688000  -0.000000      0.000000  
1 1 1 -8  0  21 o 7.554000 4.286000  -0.000000      0.000000  
1 1 1 -8  0  22 o 8.542000 4.351000  -0.000000      0.000000  
1 1 1 -8  0  23 o 51.02000 1.157000  -0.000000      0.000000  
1 1 1 -8  0  24 o 25.46000 1.993000  0.000000       0.000000  
1 1 1 -8  0  25 o 10.15000 5.022000  -0.000000      0.000000  
1 1 1 -8  0  26 o 4.069000 2.850000  -0.000000      0.000000  
1 1 1 -8  0  27 o 4.004000 2.810000  -0.000000      0.000000  
1 1 1 -8  0  28 o 16.43000 3.162000  -0.000000      0.000000  
1 1 1 -8  1  1  o 90.22000 0.6632000 0.5157000      1.326000  
1 1 1 -8  1  2  o 67.29000 0.6271000 -2.233000      1.254000  
1 1 1 -8  1  3  o 172.4000 1.497000  4.399000       2.994000  
1 1 1 -8  1  4  o 94.17000 0.8367000 -0.3948000     1.673000  
1 1 1 -8  1  5  o 140.3000 1.408000  0.8877000      2.815000  
1 1 1 -8  1  6  o 24.18000 0.7580000 -3.963000      1.516000  
1 1 1 -8  1  7  o 84.76000 0.6463000 -0.2145000     1.293000  
1 1 1 -8  1  8  o 66.17000 0.6671000 -0.9203000     1.334000  
1 1 1 -8  1  9  o 226.6000 1.598000  -0.2659000     3.196000  
1 1 1 -8  1  10 o 44.87000 0.5756000 -0.7285000     1.151000  
1 1 1 -8  1  11 o 86.72000 0.6756000 -0.6396000     1.351000  
1 1 1 -8  1  12 f 8.329000 2.247000  1.973000       4.495000  
1 1 1 -8  1  13 o 63.98000 0.7240000 0.7599000E-02  1.448000  
1 1 1 -8  1  14 o 51.65000 0.6495000 1.387000       1.299000  
1 1 1 -8  1  15 o 90.44000 0.7346000 0.7556000      1.469000  
1 1 1 -8  1  16 o 17.66000 1.801000  -4.651000      3.603000  
1 1 1 -8  1  17 o 15.54000 2.113000  2.593000       4.225000  
1 1 1 -8  1  18 o 41.19000 0.8851000 0.8136000      1.770000  
1 1 1 -8  1  19 o 24.69000 1.452000  0.4090000      2.905000  
1 1 1 -8  1  20 o 15.16000 2.328000  5.105000       4.656000  
1 1 1 -8  1  21 o 20.98000 1.689000  0.8557000E-01  3.378000  
1 1 1 -8  1  22 o 12.63000 2.594000  1.202000       5.188000  
1 1 1 -8  1  23 o 15.48000 2.516000  -2.998000      5.033000  
1 1 1 -8  1  24 o 7.927000 2.490000  -3.946000      4.979000  
1 1 1 -8  1  25 o 12.08000 2.728000  -5.949000      5.456000  
1 1 1 -8  1  26 o 5.687000 1.955000  -1.490000      3.910000  
1 1 1 -8  1  27 o 10.96000 2.577000  -3.080000      5.153000  
1 1 1 -8  1  28 o 7.722000 2.343000  2.172000       4.687000  
1 1 1 -8  1  29 o 8.344000 3.749000  ?              ?         
1 1 1 -8  2  1  o 79.36000 0.5957000 0.5627000      1.191000  
1 1 1 -8  2  2  o 86.49000 0.6371000 1.744000       1.274000  
1 1 1 -8  2  3  o 124.4000 0.8870000 0.4485000E-01  1.774000  
1 1 1 -8  2  4  o 62.68000 0.5030000 -0.6415000     1.006000  
1 1 1 -8  2  5  o 46.59000 0.5484000 -1.867000      1.097000  
1 1 1 -8  2  6  o 53.31000 0.4861000 -1.210000      0.9722000 
1 1 1 -8  2  7  o 32.75000 0.5597000 1.358000       1.119000  
1 1 1 -8  2  8  o 22.03000 0.8171000 1.764000       1.634000  
1 1 1 -8  2  9  o 38.37000 0.5708000 -1.946000      1.142000  
1 1 1 -8  2  10 o 52.75000 0.6549000 1.036000       1.310000  
1 1 1 -8  2  11 o 18.11000 1.623000  -5.259000      3.245000  
1 1 1 -8  2  12 o 19.65000 1.405000  0.5793000      2.809000  
1 1 1 -8  2  13 o 68.23000 0.7276000 ?              ?         
1 1 1 -8  2  14 o 27.13000 1.277000  0.1512000      2.553000  
1 1 1 -8  2  15 o 50.04000 0.6909000 -1.681000      1.382000  
1 1 1 -8  2  16 o 15.40000 2.148000  -0.5964000     4.296000  
1 1 1 -8  2  17 o 32.03000 1.068000  -3.675000      2.137000  
1 1 1 -8  2  18 o 40.59000 0.8889000 -2.088000      1.778000  
1 1 1 -8  2  19 o 56.84000 0.8417000 0.9287000      1.683000  
1 1 1 -8  2  20 o 24.86000 1.463000  -3.728000      2.926000  
1 1 1 -8  2  21 o 27.68000 1.449000  4.461000       2.898000  
1 1 1 -8  2  22 o 13.89000 2.653000  -0.2285000     5.306000  
1 1 1 -8  2  23 o 28.65000 1.406000  -0.8676000     2.812000  
1 1 1 -8  2  24 o 25.37000 1.519000  -5.612000      3.039000  
1 1 1 -8  2  25 o 22.74000 1.741000  3.128000       3.482000  
1 1 1 -8  2  26 o 5.366000 1.847000  -0.3666000     3.694000  
1 1 1 -8  2  27 f 9.709000 2.289000  3.985000       4.579000  
1 1 1 -8  2  28 o 6.500000 2.237000  1.663000       4.474000  
1 1 1 -8  2  29 o 8.462000 2.688000  -2.141000      5.376000  
1 1 1 -8  3  1  o 45.51000 0.4601000 0.3699000      0.9202000 
1 1 1 -8  3  2  o 86.97000 0.6450000 1.732000       1.290000  
1 1 1 -8  3  3  o 212.9000 1.502000  -0.2451000     3.004000  
1 1 1 -8  3  4  o 179.9000 1.271000  -0.4677000     2.543000  
1 1 1 -8  3  5  o 45.67000 0.4576000 0.8886000E-01  0.9151000 
1 1 1 -8  3  6  o 233.5000 1.648000  0.5563000      3.296000  
1 1 1 -8  3  7  o 201.3000 1.422000  -0.1881000     2.844000  
1 1 1 -8  3  8  o 170.9000 1.211000  0.9771000      2.423000  
1 1 1 -8  3  9  o 13.81000 1.561000  6.265000       3.121000  
1 1 1 -8  3  10 o 30.88000 0.9061000 0.9759000E-01  1.812000  
1 1 1 -8  3  11 f 7.887000 2.089000  -0.1756000     4.178000  
1 1 1 -8  3  12 o 19.03000 1.596000  -2.339000      3.192000  
1 1 1 -8  3  13 o 42.85000 0.8497000 1.263000       1.699000  
1 1 1 -8  3  14 o 45.57000 0.8419000 -0.3613000     1.684000  
1 1 1 -8  3  15 o 59.62000 0.8096000 0.6527000E-01  1.619000  
1 1 1 -8  3  16 o 35.15000 1.089000  -2.780000      2.178000  
1 1 1 -8  3  17 o 24.44000 1.496000  0.2093000      2.993000  
1 1 1 -8  3  18 o 26.15000 1.523000  5.108000       3.046000  
1 1 1 -8  3  19 o 10.58000 2.450000  4.302000       4.899000  
1 1 1 -8  3  20 o 17.75000 2.434000  ?              ?         
1 1 1 -8  3  21 o 9.380000 2.559000  -0.1845000     5.118000  
1 1 1 -8  3  22 o 7.945000 2.430000  -0.6796000     4.859000  
1 1 1 -8  3  23 o 21.25000 1.955000  4.994000       3.910000  
1 1 1 -8  3  24 o 15.90000 2.343000  0.5563000      4.685000  
1 1 1 -8  3  25 o 6.101000 2.082000  -2.758000      4.164000  
1 1 1 -8  3  26 o 10.77000 2.566000  -1.868000      5.132000  
1 1 1 -8  3  27 o 8.004000 2.455000  -3.325000      4.910000  
1 1 1 -8  3  28 o 7.858000 2.545000  2.125000       5.089000  
1 1 1 -8  3  29 o 7.528000 2.499000  0.1863000      4.999000  
1 1 1 -8  4  1  o 121.0000 0.8689000 -3.334000      1.738000  
1 1 1 -8  4  2  o 35.83000 0.4517000 1.377000       0.9033000 
1 1 1 -8  4  3  f 18.96000 0.6428000 -1.462000      1.286000  
1 1 1 -8  4  4  o 42.17000 0.4441000 1.463000       0.8882000 
1 1 1 -8  4  5  o 56.97000 0.4909000 -0.6072000     0.9818000 
1 1 1 -8  4  6  o 64.00000 0.5310000 0.5141000E-01  1.062000  
1 1 1 -8  4  7  o 68.60000 0.7114000 0.7214000      1.423000  
1 1 1 -8  4  8  o 17.34000 1.336000  1.653000       2.672000  
1 1 1 -8  4  9  o 17.56000 1.589000  -0.9625000     3.179000  
1 1 1 -8  4  10 o 53.32000 0.6911000 -0.4241000     1.382000  
1 1 1 -8  4  11 o 56.86000 0.7070000 1.524000       1.414000  
1 1 1 -8  4  12 o 28.43000 1.089000  0.1035000E-01  2.179000  
1 1 1 -8  4  13 f 30.18000 1.238000  3.095000       2.476000  
1 1 1 -8  4  14 o 25.71000 1.538000  -5.949000      3.075000  
1 1 1 -8  4  15 o 40.24000 0.7730000 1.431000       1.546000  
1 1 1 -8  4  16 o 24.01000 1.317000  -0.1582000     2.634000  
1 1 1 -8  4  17 o 13.25000 2.437000  -5.806000      4.874000  
1 1 1 -8  4  18 o 56.63000 0.8233000 1.167000       1.647000  
1 1 1 -8  4  19 f 38.17000 1.005000  1.182000       2.010000  
1 1 1 -8  4  20 o 52.78000 0.8289000 0.1271000      1.658000  
1 1 1 -8  4  21 o 27.71000 1.392000  0.9170000      2.783000  
1 1 1 -8  4  22 o 11.35000 2.539000  -7.863000      5.078000  
1 1 1 -8  4  23 o 35.70000 1.197000  6.968000       2.395000  
1 1 1 -8  4  24 f 8.794000 2.568000  -4.450000      5.135000  
1 1 1 -8  4  25 o 14.84000 2.415000  -1.983000      4.830000  
1 1 1 -8  4  26 o 7.333000 2.335000  -3.119000      4.670000  
1 1 1 -8  4  27 o 6.267000 2.159000  -1.577000      4.318000  
1 1 1 -8  4  28 o 8.206000 2.610000  -2.243000      5.220000  
1 1 1 -8  4  29 o 11.12000 2.985000  1.239000       5.969000  
1 1 1 -8  5  1  o 188.2000 1.333000  0.2253000      2.667000  
1 1 1 -8  5  2  o 179.8000 1.277000  5.378000       2.555000  
1 1 1 -8  5  3  o 113.3000 1.013000  -0.5337000     2.026000  
1 1 1 -8  5  4  o 42.71000 0.6675000 2.107000       1.335000  
1 1 1 -8  5  5  o 51.08000 0.6845000 0.1711000      1.369000  
1 1 1 -8  5  6  o 148.1000 1.224000  -2.544000      2.448000  
1 1 1 -8  5  7  o 64.12000 0.6722000 0.6513000      1.344000  
1 1 1 -8  5  8  o 104.8000 0.9092000 3.378000       1.818000  
1 1 1 -8  5  9  o 42.23000 0.7440000 1.267000       1.488000  
1 1 1 -8  5  10 o 128.7000 1.085000  -2.110000      2.170000  
1 1 1 -8  5  11 f 121.4000 1.045000  2.510000       2.090000  
1 1 1 -8  5  12 o 63.06000 0.7970000 0.8247000      1.594000  
1 1 1 -8  5  13 o 12.34000 2.027000  0.6327000      4.054000  
1 1 1 -8  5  14 o 24.84000 1.119000  1.385000       2.237000  
1 1 1 -8  5  15 f 16.77000 1.727000  0.4305000      3.455000  
1 1 1 -8  5  16 o 32.75000 1.004000  -1.419000      2.008000  
1 1 1 -8  5  17 o 23.36000 1.420000  3.417000       2.839000  
1 1 1 -8  5  18 o 30.72000 1.153000  -4.140000      2.305000  
1 1 1 -8  5  19 o 13.73000 2.477000  -1.825000      4.954000  
1 1 1 -8  5  20 o 13.09000 2.493000  0.6247000      4.986000  
1 1 1 -8  5  21 o 12.24000 2.563000  -0.1685000E-01 5.126000  
1 1 1 -8  5  22 o 17.93000 2.210000  5.458000       4.421000  
1 1 1 -8  5  23 o 6.998000 2.279000  -3.657000      4.557000  
1 1 1 -8  5  24 o 6.571000 2.151000  -2.709000      4.302000  
1 1 1 -8  5  25 o 6.694000 2.138000  1.657000       4.276000  
1 1 1 -8  5  26 o 8.017000 2.515000  0.3733000      5.031000  
1 1 1 -8  5  27 o 9.617000 2.658000  -4.487000      5.316000  
1 1 1 -8  5  28 o 6.801000 2.303000  1.779000       4.607000  
1 1 1 -8  5  29 o 8.720000 2.676000  -0.7292000     5.352000  
1 1 1 -8  6  1  o 63.14000 0.5298000 0.8274000      1.060000  
1 1 1 -8  6  2  o 51.96000 0.6841000 1.649000       1.368000  
1 1 1 -8  6  3  f 34.07000 0.7896000 -0.6607000     1.579000  
1 1 1 -8  6  4  o 44.82000 0.8800000 -0.8709000     1.760000  
1 1 1 -8  6  5  o 64.56000 0.8390000 0.2037000      1.678000  
1 1 1 -8  6  6  o 65.20000 0.8498000 -1.604000      1.700000  
1 1 1 -8  6  7  o 24.04000 1.169000  1.223000       2.337000  
1 1 1 -8  6  8  o 53.66000 0.7179000 -1.288000      1.436000  
1 1 1 -8  6  9  o 36.77000 0.8618000 -1.843000      1.724000  
1 1 1 -8  6  10 o 106.6000 0.9419000 2.450000       1.884000  
1 1 1 -8  6  11 o 54.31000 0.5850000 -0.5096000     1.170000  
1 1 1 -8  6  12 o 14.42000 1.628000  -1.870000      3.255000  
1 1 1 -8  6  13 o 5.964000 1.907000  -0.6065000E-01 3.814000  
1 1 1 -8  6  14 o 46.02000 1.023000  0.2008000      2.045000  
1 1 1 -8  6  15 o 65.59000 0.6748000 2.905000       1.350000  
1 1 1 -8  6  16 o 24.68000 1.264000  1.247000       2.528000  
1 1 1 -8  6  17 o 34.32000 0.9543000 -2.258000      1.909000  
1 1 1 -8  6  18 o 33.53000 1.028000  1.665000       2.056000  
1 1 1 -8  6  19 o 51.82000 0.8081000 0.4635000      1.616000  
1 1 1 -8  6  20 o 48.46000 0.8457000 2.524000       1.691000  
1 1 1 -8  6  21 o 54.71000 0.8092000 -0.5561000     1.618000  
1 1 1 -8  6  22 o 18.73000 1.877000  -0.1861000     3.753000  
1 1 1 -8  6  23 o 7.147000 2.283000  -3.200000      4.567000  
1 1 1 -8  6  24 o 10.78000 2.592000  -3.785000      5.184000  
1 1 1 -8  6  25 o 16.78000 2.604000  0.8583000      5.208000  
1 1 1 -8  6  26 o 9.195000 2.734000  -0.5649000     5.467000  
1 1 1 -8  6  27 o 6.036000 2.099000  0.9589000      4.198000  
1 1 1 -8  6  28 o 7.560000 2.467000  -2.981000      4.934000  
1 1 1 -8  6  29 o 7.167000 2.397000  -1.481000      4.794000  
1 1 1 -8  7  1  o 60.08000 0.5221000 2.144000       1.044000  
1 1 1 -8  7  2  o 62.56000 0.6839000 -0.3075000E-01 1.368000  
1 1 1 -8  7  3  o 98.84000 1.065000  -0.8145000     2.131000  
1 1 1 -8  7  4  o 179.7000 1.812000  2.734000       3.624000  
1 1 1 -8  7  5  o 99.82000 1.074000  2.944000       2.149000  
1 1 1 -8  7  6  o 116.1000 1.217000  -2.276000      2.433000  
1 1 1 -8  7  7  o 75.58000 0.7638000 1.190000       1.528000  
1 1 1 -8  7  8  o 47.02000 0.7718000 -1.538000      1.544000  
1 1 1 -8  7  9  o 46.00000 0.8450000 -0.1903000     1.690000  
1 1 1 -8  7  10 o 37.16000 0.6008000 1.461000       1.202000  
1 1 1 -8  7  11 o 58.56000 0.5906000 1.384000       1.181000  
1 1 1 -8  7  12 o 46.64000 0.6244000 1.551000       1.249000  
1 1 1 -8  7  13 o 59.84000 0.6335000 0.5768000      1.267000  
1 1 1 -8  7  14 o 84.37000 0.9168000 -1.426000      1.834000  
1 1 1 -8  7  15 o 56.53000 0.6793000 -1.416000      1.359000  
1 1 1 -8  7  16 o 49.77000 0.7257000 1.740000       1.451000  
1 1 1 -8  7  17 o 53.68000 0.7321000 0.6420000      1.464000  
1 1 1 -8  7  18 o 28.08000 1.131000  0.7091000      2.263000  
1 1 1 -8  7  19 o 31.18000 0.9951000 0.8399000      1.990000  
1 1 1 -8  7  20 o 29.85000 1.158000  -0.5910000     2.316000  
1 1 1 -8  7  21 o 10.76000 2.597000  -1.903000      5.195000  
1 1 1 -8  7  22 o 16.49000 2.151000  -1.577000      4.302000  
1 1 1 -8  7  23 o 13.52000 2.304000  -9.571000      4.608000  
1 1 1 -8  7  24 f 8.108000 2.532000  -1.462000      5.065000  
1 1 1 -8  7  25 o 7.756000 2.488000  1.423000       4.976000  
1 1 1 -8  7  26 o 11.50000 2.948000  0.2469000      5.896000  
1 1 1 -8  7  27 o 7.472000 2.470000  1.681000       4.940000  
1 1 1 -8  7  28 o 7.844000 2.488000  -2.652000      4.977000  
1 1 1 -8  8  1  o 49.43000 0.6658000 -0.6142000     1.332000  
1 1 1 -8  8  2  o 91.46000 0.8600000 -0.5343000     1.720000  
1 1 1 -8  8  3  o 35.11000 1.106000  -1.877000      2.212000  
1 1 1 -8  8  4  o 42.15000 0.9518000 2.252000       1.904000  
1 1 1 -8  8  5  o 30.87000 1.279000  4.700000       2.558000  
1 1 1 -8  8  6  o 29.28000 1.371000  -3.372000      2.741000  
1 1 1 -8  8  7  o 27.11000 1.546000  -2.009000      3.092000  
1 1 1 -8  8  8  o 29.90000 0.5179000 0.7445000      1.036000  
1 1 1 -8  8  9  o 33.10000 0.5709000 0.6455000      1.142000  
1 1 1 -8  8  10 o 23.21000 0.8343000 -2.999000      1.669000  
1 1 1 -8  8  11 o 7.116000 1.844000  -3.901000      3.688000  
1 1 1 -8  8  12 o 41.07000 0.6675000 3.080000       1.335000  
1 1 1 -8  8  13 o 22.79000 1.117000  1.667000       2.234000  
1 1 1 -8  8  14 o 79.03000 0.6952000 -0.9486000     1.390000  
1 1 1 -8  8  15 o 35.74000 0.8445000 -1.542000      1.689000  
1 1 1 -8  8  16 o 22.26000 1.346000  3.082000       2.693000  
1 1 1 -8  8  17 o 19.19000 1.573000  0.8847000      3.147000  
1 1 1 -8  8  18 o 31.25000 0.9938000 0.7252000      1.988000  
1 1 1 -8  8  19 o 21.19000 1.438000  -0.7668000E-01 2.876000  
1 1 1 -8  8  20 o 16.25000 2.148000  -10.89000      4.296000  
1 1 1 -8  8  21 o 31.82000 1.070000  -1.807000      2.140000  
1 1 1 -8  8  22 o 18.44000 1.851000  -0.7589000     3.702000  
1 1 1 -8  8  23 o 8.838000 2.598000  3.423000       5.197000  
1 1 1 -8  8  24 o 13.46000 2.690000  -6.413000      5.380000  
1 1 1 -8  8  25 o 7.128000 2.354000  -0.1151000     4.708000  
1 1 1 -8  8  26 o 6.855000 2.296000  1.499000       4.592000  
1 1 1 -8  8  27 o 7.294000 2.417000  0.8834000      4.834000  
1 1 1 -8  9  1  o 16.83000 1.557000  -0.2899000     3.115000  
1 1 1 -8  9  2  f 54.00000 0.6485000 0.5800000      1.297000  
1 1 1 -8  9  3  o 59.14000 0.7166000 -1.322000      1.433000  
1 1 1 -8  9  4  o 48.09000 0.9491000 2.081000       1.898000  
1 1 1 -8  9  5  o 51.59000 0.9430000 1.380000       1.886000  
1 1 1 -8  9  6  o 144.7000 1.489000  -1.788000      2.978000  
1 1 1 -8  9  7  o 55.63000 0.5397000 0.8078000      1.079000  
1 1 1 -8  9  8  o 57.55000 0.5355000 0.6153000E-01  1.071000  
1 1 1 -8  9  9  o 76.33000 0.6370000 1.110000       1.274000  
1 1 1 -8  9  10 o 107.0000 0.8070000 0.9702000      1.614000  
1 1 1 -8  9  11 o 41.12000 0.6289000 0.1412000      1.258000  
1 1 1 -8  9  12 o 45.04000 0.6329000 0.9058000      1.266000  
1 1 1 -8  9  13 o 10.86000 2.166000  0.5393000      4.332000  
1 1 1 -8  9  14 o 38.87000 0.7344000 0.2323000      1.469000  
1 1 1 -8  9  15 o 59.96000 0.6554000 0.3685000      1.311000  
1 1 1 -8  9  16 o 46.04000 0.7108000 0.5684000      1.422000  
1 1 1 -8  9  17 o 20.79000 1.405000  -1.697000      2.810000  
1 1 1 -8  9  18 o 7.269000 2.102000  -2.930000      4.204000  
1 1 1 -8  9  19 o 8.816000 2.327000  -0.5634000     4.655000  
1 1 1 -8  9  20 o 21.31000 1.477000  -6.164000      2.954000  
1 1 1 -8  9  21 o 7.694000 2.312000  -1.390000      4.624000  
1 1 1 -8  9  22 o 9.369000 2.569000  4.308000       5.137000  
1 1 1 -8  9  23 o 6.527000 2.202000  0.1718000      4.404000  
1 1 1 -8  9  24 o 6.804000 2.272000  0.9818000      4.543000  
1 1 1 -8  9  25 o 7.023000 2.310000  0.5344000      4.621000  
1 1 1 -8  9  26 o 7.217000 2.381000  1.397000       4.762000  
1 1 1 -8  9  27 o 4.928000 1.767000  -0.9298000     3.534000  
1 1 1 -8  10 1  o 35.90000 0.7620000 -2.530000      1.524000  
1 1 1 -8  10 2  o 61.48000 0.6809000 -1.689000      1.362000  
1 1 1 -8  10 3  o 18.93000 1.449000  1.619000       2.897000  
1 1 1 -8  10 4  o 10.11000 2.158000  -6.043000      4.317000  
1 1 1 -8  10 5  o 45.94000 0.7746000 -0.7904000     1.549000  
1 1 1 -8  10 6  o 37.20000 0.5151000 1.031000       1.030000  
1 1 1 -8  10 7  o 28.46000 0.5331000 -1.460000      1.066000  
1 1 1 -8  10 8  o 40.78000 0.5199000 -0.6610000     1.040000  
1 1 1 -8  10 9  o 12.30000 1.397000  0.2055000      2.794000  
1 1 1 -8  10 10 o 18.94000 1.044000  -0.7845000     2.088000  
1 1 1 -8  10 11 o 22.35000 0.9776000 1.154000       1.955000  
1 1 1 -8  10 12 o 41.97000 0.6554000 1.401000       1.311000  
1 1 1 -8  10 13 o 30.89000 0.8107000 2.743000       1.621000  
1 1 1 -8  10 14 o 17.82000 1.389000  -1.853000      2.779000  
1 1 1 -8  10 15 o 26.13000 0.9629000 2.511000       1.926000  
1 1 1 -8  10 16 o 28.22000 0.9581000 -0.9875000     1.916000  
1 1 1 -8  10 17 o 22.14000 1.262000  1.462000       2.524000  
1 1 1 -8  10 18 o 11.17000 2.237000  -3.114000      4.474000  
1 1 1 -8  10 19 o 16.82000 1.754000  2.360000       3.508000  
1 1 1 -8  10 20 o 25.21000 1.206000  2.269000       2.411000  
1 1 1 -8  10 21 o 7.895000 2.421000  -1.163000      4.841000  
1 1 1 -8  10 22 o 8.791000 2.479000  4.207000       4.957000  
1 1 1 -8  10 23 o 10.97000 2.716000  3.424000       5.432000  
1 1 1 -8  10 24 o 6.087000 2.079000  -0.6306000     4.157000  
1 1 1 -8  10 25 o 6.705000 2.231000  1.930000       4.462000  
1 1 1 -8  10 26 o 8.168000 2.549000  0.7939000      5.099000  
1 1 1 -8  11 1  o 49.20000 0.7107000 -2.577000      1.421000  
1 1 1 -8  11 2  o 84.55000 0.7869000 0.5885000      1.574000  
1 1 1 -8  11 3  o 48.30000 0.7672000 1.659000       1.534000  
1 1 1 -8  11 4  f 55.40000 0.7187000 -0.2373000     1.437000  
1 1 1 -8  11 5  o 15.96000 1.078000  1.310000       2.155000  
1 1 1 -8  11 6  o 51.06000 0.5408000 -2.418000      1.082000  
1 1 1 -8  11 7  f 16.41000 1.012000  -0.7028000     2.023000  
1 1 1 -8  11 8  o 55.86000 0.5574000 -1.269000      1.115000  
1 1 1 -8  11 9  o 39.72000 0.5791000 -1.729000      1.158000  
1 1 1 -8  11 10 o 28.49000 0.7009000 2.040000       1.402000  
1 1 1 -8  11 11 o 25.69000 0.8341000 0.7197000      1.668000  
1 1 1 -8  11 12 o 27.79000 0.8566000 -4.037000      1.713000  
1 1 1 -8  11 13 o 20.77000 1.078000  1.445000       2.157000  
1 1 1 -8  11 14 o 23.43000 1.849000  -6.197000      3.698000  
1 1 1 -8  11 15 o 13.58000 1.835000  -1.686000      3.669000  
1 1 1 -8  11 16 o 11.78000 2.060000  5.609000       4.120000  
1 1 1 -8  11 17 o 20.28000 1.366000  -2.956000      2.733000  
1 1 1 -8  11 18 o 5.748000 1.895000  0.2651000      3.791000  
1 1 1 -8  11 19 o 8.391000 2.590000  -1.168000      5.181000  
1 1 1 -8  11 20 o 12.39000 2.565000  -2.410000      5.130000  
1 1 1 -8  11 21 o 9.395000 2.537000  1.377000       5.073000  
1 1 1 -8  11 22 o 6.250000 2.101000  -0.1275000     4.201000  
1 1 1 -8  11 23 o 8.138000 2.480000  0.5513000      4.959000  
1 1 1 -8  11 24 o 5.195000 1.825000  -0.1353000     3.650000  
1 1 1 -8  12 1  o 17.34000 1.502000  -6.508000      3.004000  
1 1 1 -8  12 2  o 27.37000 1.028000  -1.489000      2.057000  
1 1 1 -8  12 3  o 48.88000 0.7682000 -0.9154000     1.536000  
1 1 1 -8  12 4  o 34.44000 0.6382000 0.5460000      1.276000  
1 1 1 -8  12 5  o 28.34000 0.7337000 -0.5158000     1.467000  
1 1 1 -8  12 6  o 27.59000 0.7080000 -1.033000      1.416000  
1 1 1 -8  12 7  o 26.81000 0.7171000 -1.433000      1.434000  
1 1 1 -8  12 8  f 41.38000 0.5998000 -1.148000      1.200000  
1 1 1 -8  12 9  o 8.274000 1.873000  0.7007000      3.745000  
1 1 1 -8  12 10 o 14.31000 1.312000  4.010000       2.624000  
1 1 1 -8  12 11 o 24.04000 0.8393000 1.481000       1.679000  
1 1 1 -8  12 12 o 11.00000 1.933000  1.864000       3.865000  
1 1 1 -8  12 13 o 19.84000 1.190000  0.5117000      2.380000  
1 1 1 -8  12 14 o 16.51000 2.339000  -0.5540000     4.677000  
1 1 1 -8  12 15 o 16.27000 1.509000  -0.1385000     3.018000  
1 1 1 -8  12 16 o 17.04000 1.530000  3.950000       3.059000  
1 1 1 -8  12 17 o 8.508000 2.207000  4.031000       4.414000  
1 1 1 -8  12 18 o 8.207000 2.361000  -1.006000      4.722000  
1 1 1 -8  12 19 o 20.58000 1.520000  -0.5995000E-01 3.041000  
1 1 1 -8  12 20 o 29.03000 1.202000  -0.1287000     2.404000  
1 1 1 -8  12 21 o 11.79000 2.546000  1.624000       5.093000  
1 1 1 -8  12 22 f 9.836000 2.571000  2.917000       5.142000  
1 1 1 -8  12 23 o 6.660000 2.178000  -2.111000      4.356000  
1 1 1 -8  12 24 o 6.104000 2.082000  1.982000       4.164000  
1 1 1 -8  13 1  o 64.36000 0.7136000 1.474000       1.427000  
1 1 1 -8  13 2  o 53.35000 0.7352000 0.2551000      1.470000  
1 1 1 -8  13 3  o 30.79000 0.7022000 -0.9647000E-01 1.404000  
1 1 1 -8  13 4  o 48.58000 0.5633000 -1.626000      1.127000  
1 1 1 -8  13 5  o 75.59000 0.6393000 -1.229000      1.279000  
1 1 1 -8  13 6  o 82.42000 0.6721000 -0.8266000     1.344000  
1 1 1 -8  13 7  o 36.87000 0.6054000 0.5757000      1.211000  
1 1 1 -8  13 8  o 30.79000 0.6584000 1.606000       1.317000  
1 1 1 -8  13 9  o 31.45000 0.7093000 2.242000       1.419000  
1 1 1 -8  13 10 o 21.38000 0.9337000 -2.678000      1.867000  
1 1 1 -8  13 11 o 6.322000 1.826000  -1.124000      3.652000  
1 1 1 -8  13 12 o 14.47000 1.438000  4.007000       2.876000  
1 1 1 -8  13 13 o 18.86000 1.297000  -2.147000      2.593000  
1 1 1 -8  13 14 o 7.394000 2.071000  0.9735000      4.142000  
1 1 1 -8  13 15 o 15.08000 1.576000  -0.6645000E-01 3.151000  
1 1 1 -8  13 16 o 7.968000 2.222000  1.598000       4.444000  
1 1 1 -8  13 17 f 24.36000 1.306000  -0.7250000     2.612000  
1 1 1 -8  13 18 o 16.75000 1.961000  1.658000       3.922000  
1 1 1 -8  13 19 f 7.617000 2.290000  -1.796000      4.580000  
1 1 1 -8  13 20 o 7.400000 2.257000  1.983000       4.515000  
1 1 1 -8  13 21 o 6.435000 2.119000  0.7918000      4.238000  
1 1 1 -8  13 22 o 9.645000 2.561000  1.949000       5.121000  
1 1 1 -8  13 23 o 7.240000 2.322000  0.1257000      4.644000  
1 1 1 -8  14 1  o 30.31000 0.9102000 -2.386000      1.820000  
1 1 1 -8  14 2  o 18.47000 1.133000  -2.355000      2.267000  
1 1 1 -8  14 3  o 10.60000 1.842000  3.972000       3.685000  
1 1 1 -8  14 4  o 18.03000 1.127000  -1.845000      2.253000  
1 1 1 -8  14 5  o 18.18000 1.211000  -2.402000      2.422000  
1 1 1 -8  14 6  o 7.200000 1.983000  0.9998000      3.966000  
1 1 1 -8  14 7  o 7.471000 1.969000  -0.5906000     3.938000  
1 1 1 -8  14 8  o 19.25000 1.012000  0.2762000      2.024000  
1 1 1 -8  14 9  o 7.250000 1.914000  0.8326000      3.828000  
1 1 1 -8  14 10 o 16.45000 1.199000  1.448000       2.399000  
1 1 1 -8  14 11 o 19.55000 1.023000  2.701000       2.045000  
1 1 1 -8  14 12 o 23.70000 0.9062000 -1.727000      1.812000  
1 1 1 -8  14 13 o 20.57000 1.055000  -0.5325000     2.111000  
1 1 1 -8  14 14 o 13.99000 1.839000  0.1209000      3.678000  
1 1 1 -8  14 15 f 6.664000 2.023000  2.254000       4.046000  
1 1 1 -8  14 16 o 7.122000 2.162000  -0.6357000     4.324000  
1 1 1 -8  14 17 o 9.190000 2.297000  3.435000       4.593000  
1 1 1 -8  14 18 o 9.935000 2.038000  7.756000       4.076000  
1 1 1 -8  14 19 o 11.65000 2.417000  2.832000       4.834000  
1 1 1 -8  14 20 o 8.704000 2.332000  4.596000       4.665000  
1 1 1 -8  15 1  o 29.47000 1.371000  -0.6893000     2.741000  
1 1 1 -8  15 2  o 18.96000 1.188000  0.3563000      2.376000  
1 1 1 -8  15 3  o 12.05000 1.760000  -0.5990000     3.520000  
1 1 1 -8  15 4  o 19.67000 1.058000  -1.800000      2.116000  
1 1 1 -8  15 5  o 27.35000 0.8382000 -1.187000      1.676000  
1 1 1 -8  15 6  o 37.29000 0.6433000 1.323000       1.287000  
1 1 1 -8  15 7  o 18.49000 1.124000  -0.7808000     2.249000  
1 1 1 -8  15 8  o 8.103000 1.932000  2.683000       3.863000  
1 1 1 -8  15 9  o 6.974000 1.838000  -2.823000      3.676000  
1 1 1 -8  15 10 o 8.383000 1.916000  -2.021000      3.833000  
1 1 1 -8  15 11 o 16.46000 1.412000  -2.551000      2.824000  
1 1 1 -8  15 12 o 30.06000 0.9657000 -0.4158000     1.931000  
1 1 1 -8  15 13 o 11.07000 2.209000  0.3712000      4.419000  
1 1 1 -8  15 14 o 5.434000 1.818000  0.8913000      3.635000  
1 1 1 -8  15 15 o 7.716000 2.088000  -4.031000      4.175000  
1 1 1 -8  15 16 o 9.136000 2.398000  -0.8720000     4.796000  
1 1 1 -8  16 1  o 21.60000 1.073000  2.768000       2.145000  
1 1 1 -8  16 2  o 19.97000 1.156000  -2.404000      2.312000  
1 1 1 -8  16 3  o 12.11000 2.265000  -5.962000      4.530000  
1 1 1 -8  16 4  o 7.284000 2.239000  3.230000       4.479000  
1 1 1 -8  16 5  o 8.232000 1.944000  5.145000       3.889000  
1 1 1 -8  16 6  o 10.38000 1.979000  1.124000       3.958000  
1 1 1 -8  16 7  o 11.28000 1.954000  -0.6244000E-02 3.908000  
1 1 1 -8  16 8  o 12.16000 2.068000  -0.3095000     4.136000  
1 1 1 -8  16 9  o 6.683000 2.870000  ?              ?         
1 1 1 -8  16 10 o 7.758000 3.284000  ?              ?         
1 1 1 -8  16 11 o 5.507000 1.859000  1.955000       3.717000  
1 1 1 -8  16 12 o 8.158000 2.284000  2.233000       4.567000  
1 1 1 -8  17 1  o 9.008000 2.262000  -0.8809000     4.523000  
1 1 1 -8  17 2  o 20.18000 1.290000  0.4487000      2.580000  
1 1 1 -8  17 3  o 11.36000 2.184000  -1.908000      4.369000  
1 1 1 -8  17 4  o 6.483000 2.017000  -2.682000      4.034000  
1 1 1 -8  17 5  o 12.54000 2.452000  -4.074000      4.905000  
1 1 1 -8  17 6  f 10.82000 2.586000  0.8875000      5.173000  
1 1 1 -8  17 7  o 9.155000 2.295000  -5.115000      4.591000  
1 1 1 -8  18 1  o 8.592000 2.428000  2.488000       4.857000  
1 1 1 -7  0  1  o 246.1000 2.448000  0.000000       0.000000  
1 1 1 -7  0  2  o 167.8000 1.673000  -0.000000      0.000000  
1 1 1 -7  0  3  o 35.86000 0.6018000 0.000000       0.000000  
1 1 1 -7  0  4  f 100.5000 1.024000  0.000000       0.000000  
1 1 1 -7  0  5  o 29.65000 0.7168000 0.000000       0.000000  
1 1 1 -7  0  6  o 60.34000 0.7019000 -0.000000      0.000000  
1 1 1 -7  0  7  o 67.14000 0.7602000 -0.000000      0.000000  
1 1 1 -7  0  8  o 145.0000 1.459000  -0.000000      0.000000  
1 1 1 -7  0  10 o 12.79000 2.887000  0.000000       0.000000  
1 1 1 -7  0  11 o 15.47000 2.000000  -0.000000      0.000000  
1 1 1 -7  0  12 o 3.366000 2.329000  0.000000       0.000000  
1 1 1 -7  0  13 o 37.83000 0.9376000 -0.000000      0.000000  
1 1 1 -7  0  14 o 7.978000 3.751000  0.000000       0.000000  
1 1 1 -7  0  15 o 6.730000 3.713000  -0.000000      0.000000  
1 1 1 -7  0  16 f 52.55000 1.000000  0.000000       0.000000  
1 1 1 -7  0  17 o 14.42000 3.514000  -0.000000      0.000000  
1 1 1 -7  0  18 o 33.83000 1.516000  -0.000000      0.000000  
1 1 1 -7  0  19 o 7.211000 4.126000  -0.000000      0.000000  
1 1 1 -7  0  20 o 51.35000 1.557000  -0.000000      0.000000  
1 1 1 -7  0  21 o 15.30000 3.428000  -0.000000      0.000000  
1 1 1 -7  0  22 o 7.580000 4.250000  0.000000       0.000000  
1 1 1 -7  0  23 o 9.442000 4.481000  -0.000000      0.000000  
1 1 1 -7  0  24 o 3.905000 2.768000  -0.000000      0.000000  
1 1 1 -7  0  25 o 22.95000 2.088000  -0.000000      0.000000  
1 1 1 -7  0  26 o 8.862000 4.459000  -0.000000      0.000000  
1 1 1 -7  0  27 o 6.005000 3.713000  -0.000000      0.000000  
1 1 1 -7  0  28 o 6.051000 3.694000  0.000000       0.000000  
1 1 1 -7  1  1  o 70.70000 0.5367000 0.1450000E-01  1.073000  
1 1 1 -7  1  2  o 92.11000 0.8218000 -0.6043000     1.644000  
1 1 1 -7  1  3  o 71.95000 0.5426000 -0.4825000     1.085000  
1 1 1 -7  1  4  o 104.3000 0.9219000 -0.1808000     1.844000  
1 1 1 -7  1  5  o 101.8000 0.7354000 0.1756000E-01  1.471000  
1 1 1 -7  1  6  o 49.45000 0.4632000 -0.6714000     0.9264000 
1 1 1 -7  1  7  o 90.16000 0.6685000 2.229000       1.337000  
1 1 1 -7  1  8  o 204.6000 1.767000  1.114000       3.534000  
1 1 1 -7  1  9  o 175.4000 1.242000  -0.5629000     2.483000  
1 1 1 -7  1  10 o 45.16000 0.6359000 -1.559000      1.272000  
1 1 1 -7  1  11 o 55.59000 0.6397000 -0.5431000     1.279000  
1 1 1 -7  1  12 o 19.17000 1.479000  -6.978000      2.958000  
1 1 1 -7  1  13 o 68.50000 0.6118000 -0.1106000E-01 1.224000  
1 1 1 -7  1  14 o 36.40000 1.043000  ?              ?         
1 1 1 -7  1  15 o 48.19000 0.6884000 -0.3741000     1.377000  
1 1 1 -7  1  16 o 55.76000 0.6822000 0.8931000E-01  1.364000  
1 1 1 -7  1  17 o 54.12000 0.8629000 -1.685000      1.726000  
1 1 1 -7  1  18 o 78.30000 0.8153000 -0.8049000     1.631000  
1 1 1 -7  1  19 o 32.55000 1.207000  -1.871000      2.413000  
1 1 1 -7  1  20 o 36.28000 1.128000  -0.1329000     2.256000  
1 1 1 -7  1  21 o 27.19000 1.512000  -1.269000      3.023000  
1 1 1 -7  1  22 o 7.664000 2.402000  -1.115000      4.805000  
1 1 1 -7  1  23 o 18.42000 2.309000  0.7213000      4.617000  
1 1 1 -7  1  24 o 17.57000 1.904000  2.381000       3.808000  
1 1 1 -7  1  25 o 6.791000 2.184000  -0.3614000     4.367000  
1 1 1 -7  1  26 o 7.655000 2.336000  1.680000       4.672000  
1 1 1 -7  1  27 o 7.092000 2.157000  3.072000       4.313000  
1 1 1 -7  1  28 o 7.300000 2.324000  -1.322000      4.648000  
1 1 1 -7  1  29 o 7.944000 3.645000  ?              ?         
1 1 1 -7  2  1  o 80.42000 0.5948000 0.9552000      1.190000  
1 1 1 -7  2  2  o 119.4000 1.036000  -2.327000      2.072000  
1 1 1 -7  2  3  o 218.3000 1.884000  -1.591000      3.768000  
1 1 1 -7  2  4  o 177.9000 1.536000  -1.387000      3.072000  
1 1 1 -7  2  5  f 86.04000 0.7701000 -0.3761000     1.540000  
1 1 1 -7  2  6  o 70.15000 0.5509000 1.120000       1.102000  
1 1 1 -7  2  7  o 75.93000 0.5841000 0.1849000      1.168000  
1 1 1 -7  2  8  o 54.48000 0.5086000 -0.9905000     1.017000  
1 1 1 -7  2  9  o 22.43000 1.064000  -4.001000      2.128000  
1 1 1 -7  2  10 o 63.38000 0.6578000 1.165000       1.316000  
1 1 1 -7  2  11 o 45.13000 0.6681000 -0.2362000     1.336000  
1 1 1 -7  2  12 o 27.45000 0.9630000 1.329000       1.926000  
1 1 1 -7  2  13 o 24.46000 1.210000  0.5881000      2.420000  
1 1 1 -7  2  14 o 7.528000 2.118000  2.804000       4.237000  
1 1 1 -7  2  15 o 12.75000 2.214000  -1.017000      4.427000  
1 1 1 -7  2  16 o 6.732000 2.114000  0.2002000E-01  4.228000  
1 1 1 -7  2  17 o 33.51000 1.049000  -0.2355000     2.098000  
1 1 1 -7  2  18 o 28.75000 1.449000  5.261000       2.898000  
1 1 1 -7  2  19 o 42.04000 0.9969000 0.9866000      1.994000  
1 1 1 -7  2  20 o 52.44000 0.8706000 -0.4128000     1.741000  
1 1 1 -7  2  21 o 28.34000 1.261000  -1.523000      2.523000  
1 1 1 -7  2  22 o 26.71000 1.452000  -0.7574000     2.904000  
1 1 1 -7  2  23 o 24.10000 1.749000  3.167000       3.498000  
1 1 1 -7  2  24 o 18.28000 2.291000  5.092000       4.582000  
1 1 1 -7  2  25 o 30.37000 1.217000  -1.506000      2.435000  
1 1 1 -7  2  26 o 15.60000 2.294000  3.770000       4.588000  
1 1 1 -7  2  27 o 16.01000 2.255000  3.950000       4.510000  
1 1 1 -7  2  28 o 10.47000 2.920000  -0.9452000     5.841000  
1 1 1 -7  2  29 o 7.734000 2.526000  1.285000       5.052000  
1 1 1 -7  3  1  o 44.00000 0.4308000 -0.8259000     0.8615000 
1 1 1 -7  3  2  o 69.36000 0.5345000 0.1020000      1.069000  
1 1 1 -7  3  3  o 114.3000 0.8194000 2.600000       1.639000  
1 1 1 -7  3  4  o 71.05000 0.5445000 0.6303000      1.089000  
1 1 1 -7  3  5  o 180.8000 1.279000  -1.333000      2.558000  
1 1 1 -7  3  6  o 142.5000 1.013000  -3.930000      2.026000  
1 1 1 -7  3  7  o 19.62000 0.7648000 -2.563000      1.530000  
1 1 1 -7  3  8  o 47.41000 0.6270000 -2.866000      1.254000  
1 1 1 -7  3  9  o 144.0000 1.193000  0.7253000      2.386000  
1 1 1 -7  3  10 o 197.4000 1.617000  0.6871000      3.233000  
1 1 1 -7  3  11 o 86.39000 0.7953000 0.3388000      1.591000  
1 1 1 -7  3  12 o 79.23000 0.7757000 -1.362000      1.551000  
1 1 1 -7  3  13 o 20.52000 1.127000  -1.358000      2.253000  
1 1 1 -7  3  14 o 82.27000 0.6842000 -0.3872000     1.368000  
1 1 1 -7  3  15 o 41.23000 0.7905000 -1.556000      1.581000  
1 1 1 -7  3  16 o 43.95000 0.8138000 -0.8714000     1.628000  
1 1 1 -7  3  17 o 56.73000 0.7879000 0.5595000      1.576000  
1 1 1 -7  3  18 o 35.42000 1.139000  -0.4259000     2.278000  
1 1 1 -7  3  19 o 39.04000 1.010000  -1.135000      2.020000  
1 1 1 -7  3  20 o 41.10000 0.9736000 0.5221000      1.947000  
1 1 1 -7  3  21 o 12.81000 2.620000  -0.3753000     5.240000  
1 1 1 -7  3  22 o 18.47000 2.250000  3.537000       4.501000  
1 1 1 -7  3  23 o 11.70000 2.772000  -3.643000      5.545000  
1 1 1 -7  3  24 o 8.259000 2.534000  -1.350000      5.068000  
1 1 1 -7  3  25 o 12.95000 2.557000  1.836000       5.113000  
1 1 1 -7  3  26 o 7.796000 2.371000  -1.008000      4.742000  
1 1 1 -7  3  27 o 8.259000 2.472000  1.063000       4.945000  
1 1 1 -7  3  28 o 7.522000 2.465000  0.4296000      4.931000  
1 1 1 -7  3  29 o 8.167000 2.583000  0.4874000      5.167000  
1 1 1 -7  4  1  o 104.6000 0.7578000 -1.812000      1.516000  
1 1 1 -7  4  2  o 76.74000 0.5799000 0.6928000      1.160000  
1 1 1 -7  4  3  o 127.2000 1.123000  1.909000       2.246000  
1 1 1 -7  4  4  o 64.23000 0.6718000 1.873000       1.344000  
1 1 1 -7  4  5  o 219.1000 1.553000  -1.117000      3.105000  
1 1 1 -7  4  6  o 70.61000 0.6742000 0.8507000      1.348000  
1 1 1 -7  4  7  o 58.20000 0.6266000 -0.6222000     1.253000  
1 1 1 -7  4  8  o 13.70000 1.619000  2.326000       3.238000  
1 1 1 -7  4  9  o 55.51000 0.6584000 1.718000       1.317000  
1 1 1 -7  4  10 o 30.09000 0.9095000 -0.4616000E-01 1.819000  
1 1 1 -7  4  11 o 30.48000 0.6983000 1.488000       1.397000  
1 1 1 -7  4  12 o 7.644000 2.022000  -0.1138000     4.045000  
1 1 1 -7  4  13 o 27.58000 0.9287000 -4.336000      1.857000  
1 1 1 -7  4  14 o 10.24000 2.189000  -2.593000      4.378000  
1 1 1 -7  4  15 o 5.740000 1.895000  -0.3538000     3.791000  
1 1 1 -7  4  16 o 38.96000 0.9009000 -0.2711000     1.802000  
1 1 1 -7  4  17 o 18.70000 1.967000  2.781000       3.933000  
1 1 1 -7  4  18 o 24.29000 1.501000  -1.930000      3.001000  
1 1 1 -7  4  19 o 63.51000 0.8120000 -0.7811000     1.624000  
1 1 1 -7  4  20 f 8.766000 2.526000  0.9502000      5.052000  
1 1 1 -7  4  21 o 21.45000 1.831000  3.353000       3.663000  
1 1 1 -7  4  22 o 9.664000 2.651000  -3.405000      5.301000  
1 1 1 -7  4  23 f 17.22000 2.173000  -8.085000      4.346000  
1 1 1 -7  4  24 o 15.94000 2.421000  3.792000       4.843000  
1 1 1 -7  4  25 o 17.84000 2.197000  -0.3505000E-01 4.393000  
1 1 1 -7  4  26 o 7.490000 2.316000  0.2029000      4.633000  
1 1 1 -7  4  27 o 9.187000 2.720000  0.5630000      5.439000  
1 1 1 -7  4  28 o 8.260000 2.518000  -4.107000      5.036000  
1 1 1 -7  4  29 o 8.644000 2.684000  -0.6676000     5.367000  
1 1 1 -7  5  1  o 14.28000 0.8712000 -2.775000      1.742000  
1 1 1 -7  5  2  o 30.75000 0.7488000 -3.851000      1.498000  
1 1 1 -7  5  3  o 80.58000 0.7751000 2.589000       1.550000  
1 1 1 -7  5  4  o 57.89000 0.6772000 1.403000       1.354000  
1 1 1 -7  5  5  o 185.8000 1.533000  -1.578000      3.067000  
1 1 1 -7  5  6  o 83.47000 0.7552000 1.598000       1.510000  
1 1 1 -7  5  7  o 50.82000 0.6372000 1.081000       1.274000  
1 1 1 -7  5  8  o 127.2000 1.064000  -1.146000      2.128000  
1 1 1 -7  5  9  o 51.41000 0.8587000 0.1135000      1.717000  
1 1 1 -7  5  10 o 80.35000 0.6429000 0.6000000      1.286000  
1 1 1 -7  5  11 o 99.66000 0.7509000 -2.269000      1.502000  
1 1 1 -7  5  12 o 26.47000 0.8572000 -2.959000      1.714000  
1 1 1 -7  5  13 o 40.24000 0.9790000 3.494000       1.958000  
1 1 1 -7  5  14 o 58.87000 0.7259000 -0.9253000     1.452000  
1 1 1 -7  5  15 o 47.41000 0.7175000 -0.3606000     1.435000  
1 1 1 -7  5  16 o 20.53000 1.531000  -1.541000      3.062000  
1 1 1 -7  5  17 o 14.40000 2.353000  3.878000       4.705000  
1 1 1 -7  5  18 o 23.34000 1.575000  1.572000       3.151000  
1 1 1 -7  5  19 o 28.78000 1.302000  0.5745000      2.603000  
1 1 1 -7  5  20 o 15.60000 2.342000  6.044000       4.684000  
1 1 1 -7  5  21 o 7.093000 2.216000  1.687000       4.432000  
1 1 1 -7  5  22 o 7.275000 2.326000  -1.538000      4.652000  
1 1 1 -7  5  23 o 29.05000 1.249000  0.7991000E-01  2.499000  
1 1 1 -7  5  24 o 11.39000 2.664000  -0.1115000     5.329000  
1 1 1 -7  5  25 o 5.072000 2.459000  ?              ?         
1 1 1 -7  5  26 o 11.34000 2.656000  8.750000       5.311000  
1 1 1 -7  5  27 o 5.798000 2.035000  0.3140000      4.070000  
1 1 1 -7  5  28 o 5.699000 2.004000  1.075000       4.008000  
1 1 1 -7  5  29 o 8.167000 2.628000  -0.3188000     5.256000  
1 1 1 -7  6  1  o 238.8000 1.694000  2.553000       3.388000  
1 1 1 -7  6  2  o 182.3000 1.590000  -1.626000      3.181000  
1 1 1 -7  6  3  o 51.59000 0.8165000 3.079000       1.633000  
1 1 1 -7  6  4  o 131.3000 1.343000  1.935000       2.685000  
1 1 1 -7  6  5  o 64.08000 0.8279000 1.745000       1.656000  
1 1 1 -7  6  6  o 56.68000 0.6602000 0.5594000      1.320000  
1 1 1 -7  6  7  o 111.3000 0.9587000 2.195000       1.917000  
1 1 1 -7  6  8  o 51.34000 0.4991000 -0.8637000     0.9981000 
1 1 1 -7  6  9  o 10.39000 1.575000  -4.115000      3.149000  
1 1 1 -7  6  10 o 25.02000 0.7773000 -3.201000      1.555000  
1 1 1 -7  6  11 o 19.66000 1.058000  0.4555000      2.115000  
1 1 1 -7  6  12 o 42.40000 0.6397000 -0.9469000     1.279000  
1 1 1 -7  6  13 o 6.050000 1.893000  2.202000       3.787000  
1 1 1 -7  6  14 o 16.07000 1.710000  1.723000       3.420000  
1 1 1 -7  6  15 o 14.69000 2.063000  3.008000       4.127000  
1 1 1 -7  6  16 o 18.80000 1.667000  0.1275000E-01  3.334000  
1 1 1 -7  6  17 o 8.024000 2.353000  -0.5813000     4.706000  
1 1 1 -7  6  18 o 22.42000 1.651000  3.712000       3.302000  
1 1 1 -7  6  19 o 15.67000 2.301000  -3.882000      4.602000  
1 1 1 -7  6  20 o 9.839000 2.515000  1.833000       5.030000  
1 1 1 -7  6  21 o 8.874000 2.518000  -3.474000      5.037000  
1 1 1 -7  6  22 o 16.50000 2.297000  3.835000       4.594000  
1 1 1 -7  6  23 o 37.74000 1.015000  0.4227000      2.030000  
1 1 1 -7  6  24 o 19.44000 1.731000  -2.536000      3.461000  
1 1 1 -7  6  25 o 10.08000 2.576000  6.087000       5.152000  
1 1 1 -7  6  26 o 8.178000 2.570000  -0.7964000     5.140000  
1 1 1 -7  6  27 o 9.913000 2.780000  -2.384000      5.559000  
1 1 1 -7  6  28 o 7.498000 2.470000  1.207000       4.939000  
1 1 1 -7  6  29 f 6.327000 2.181000  2.564000       4.363000  
1 1 1 -7  7  1  o 86.41000 0.8119000 0.9686000      1.624000  
1 1 1 -7  7  2  o 132.3000 1.175000  -1.810000      2.350000  
1 1 1 -7  7  3  o 141.8000 1.446000  -1.124000      2.891000  
1 1 1 -7  7  4  o 55.11000 0.8225000 0.7848000      1.645000  
1 1 1 -7  7  5  o 48.50000 0.8743000 -1.140000      1.749000  
1 1 1 -7  7  6  o 63.74000 0.6954000 0.9222000      1.391000  
1 1 1 -7  7  7  o 48.94000 0.4820000 -0.4184000E-01 0.9641000 
1 1 1 -7  7  8  o 48.70000 0.4981000 0.8471000      0.9962000 
1 1 1 -7  7  9  o 77.26000 0.6256000 1.364000       1.251000  
1 1 1 -7  7  10 o 53.82000 0.5547000 0.2468000      1.109000  
1 1 1 -7  7  11 o 79.81000 0.6546000 -0.1958000     1.309000  
1 1 1 -7  7  12 o 45.58000 0.6198000 -0.1167000     1.240000  
1 1 1 -7  7  13 o 41.66000 0.6800000 0.3890000      1.360000  
1 1 1 -7  7  14 o 101.8000 0.7951000 -1.398000      1.590000  
1 1 1 -7  7  15 o 51.02000 0.6957000 -0.6375000     1.391000  
1 1 1 -7  7  16 o 39.91000 0.8191000 -0.7576000     1.638000  
1 1 1 -7  7  17 o 35.83000 0.9180000 -0.2753000     1.836000  
1 1 1 -7  7  18 o 25.57000 1.384000  1.121000       2.768000  
1 1 1 -7  7  19 o 12.51000 2.446000  -0.6980000     4.892000  
1 1 1 -7  7  20 o 30.37000 1.167000  1.326000       2.334000  
1 1 1 -7  7  21 o 12.73000 2.244000  7.085000       4.487000  
1 1 1 -7  7  22 o 11.68000 2.554000  -0.3917000     5.108000  
1 1 1 -7  7  23 o 12.61000 2.128000  8.513000       4.255000  
1 1 1 -7  7  24 o 6.198000 2.090000  -1.804000      4.181000  
1 1 1 -7  7  25 o 8.629000 2.608000  1.769000       5.216000  
1 1 1 -7  7  26 o 7.564000 2.425000  1.715000       4.850000  
1 1 1 -7  7  27 o 6.337000 2.183000  -0.3943000     4.365000  
1 1 1 -7  7  28 o 5.575000 1.977000  0.9105000      3.955000  
1 1 1 -7  8  1  o 32.36000 0.7680000 -0.9605000     1.536000  
1 1 1 -7  8  2  o 60.65000 0.6350000 1.103000       1.270000  
1 1 1 -7  8  3  o 43.37000 0.8937000 -0.9438000     1.787000  
1 1 1 -7  8  4  o 84.64000 0.9713000 2.184000       1.943000  
1 1 1 -7  8  5  o 73.51000 0.9120000 3.236000       1.824000  
1 1 1 -7  8  6  o 93.75000 0.7221000 -0.3470000     1.444000  
1 1 1 -7  8  7  o 67.00000 0.5582000 0.7443000      1.116000  
1 1 1 -7  8  8  o 20.20000 0.7542000 -1.907000      1.508000  
1 1 1 -7  8  9  o 22.37000 0.7835000 1.597000       1.567000  
1 1 1 -7  8  10 o 7.148000 1.888000  -0.9521000     3.777000  
1 1 1 -7  8  11 f 25.33000 0.8591000 1.021000       1.718000  
1 1 1 -7  8  12 o 25.22000 0.9166000 0.4625000      1.833000  
1 1 1 -7  8  13 o 29.78000 0.8818000 -1.257000      1.764000  
1 1 1 -7  8  14 o 54.45000 0.6610000 0.2772000E-01  1.322000  
1 1 1 -7  8  15 o 27.25000 1.094000  0.5420000E-01  2.188000  
1 1 1 -7  8  16 o 8.031000 2.302000  0.1409000      4.604000  
1 1 1 -7  8  17 o 13.50000 2.260000  4.032000       4.521000  
1 1 1 -7  8  18 o 10.51000 2.429000  -1.315000      4.859000  
1 1 1 -7  8  19 o 18.41000 1.710000  -4.766000      3.419000  
1 1 1 -7  8  20 o 27.18000 1.236000  0.5864000      2.473000  
1 1 1 -7  8  21 o 8.580000 2.382000  -5.366000      4.764000  
1 1 1 -7  8  22 o 20.87000 1.777000  5.086000       3.555000  
1 1 1 -7  8  23 o 16.19000 2.309000  -4.269000      4.618000  
1 1 1 -7  8  24 o 11.72000 2.710000  3.719000       5.419000  
1 1 1 -7  8  25 o 12.79000 2.839000  2.268000       5.677000  
1 1 1 -7  8  26 o 7.903000 2.500000  -1.717000      5.001000  
1 1 1 -7  8  27 o 7.809000 2.515000  -0.6374000     5.031000  
1 1 1 -7  8  28 o 6.328000 2.185000  1.896000       4.370000  
1 1 1 -7  9  1  o 22.02000 1.065000  -2.723000      2.129000  
1 1 1 -7  9  2  o 27.57000 0.8978000 1.388000       1.796000  
1 1 1 -7  9  3  o 39.24000 0.7298000 -1.557000      1.460000  
1 1 1 -7  9  4  o 43.19000 0.4757000 -0.1483000     0.9514000 
1 1 1 -7  9  5  o 8.988000 1.304000  -5.153000      2.609000  
1 1 1 -7  9  6  o 89.63000 0.6925000 0.1906000      1.385000  
1 1 1 -7  9  7  o 85.20000 0.6663000 0.7086000      1.333000  
1 1 1 -7  9  8  o 49.58000 0.5266000 0.8447000      1.053000  
1 1 1 -7  9  9  o 69.94000 0.6085000 -0.9235000     1.217000  
1 1 1 -7  9  10 o 38.47000 0.6176000 0.9407000      1.235000  
1 1 1 -7  9  11 o 47.31000 0.6209000 0.6758000      1.242000  
1 1 1 -7  9  12 o 14.92000 1.636000  -2.584000      3.273000  
1 1 1 -7  9  13 o 46.66000 0.6630000 -1.778000      1.326000  
1 1 1 -7  9  14 o 45.63000 0.6953000 -0.2174000     1.391000  
1 1 1 -7  9  15 o 42.28000 0.7543000 -0.1266000     1.509000  
1 1 1 -7  9  16 o 6.532000 2.066000  1.010000       4.131000  
1 1 1 -7  9  17 o 13.61000 2.084000  -5.316000      4.167000  
1 1 1 -7  9  18 o 15.68000 1.848000  -0.3507000     3.696000  
1 1 1 -7  9  19 o 30.03000 1.012000  -0.6498000     2.024000  
1 1 1 -7  9  20 o 35.43000 0.9659000 -1.442000      1.932000  
1 1 1 -7  9  21 o 15.04000 2.212000  2.869000       4.423000  
1 1 1 -7  9  22 o 8.373000 2.493000  -2.645000      4.985000  
1 1 1 -7  9  23 f 6.021000 2.069000  -1.015000      4.137000  
1 1 1 -7  9  24 o 7.055000 2.331000  -2.397000      4.662000  
1 1 1 -7  9  25 o 6.065000 2.084000  -0.4757000     4.169000  
1 1 1 -7  9  26 o 5.918000 2.058000  -0.4771000     4.116000  
1 1 1 -7  9  27 o 9.025000 2.723000  -1.093000      5.445000  
1 1 1 -7  10 1  o 112.0000 0.9572000 -0.4823000     1.914000  
1 1 1 -7  10 2  o 90.88000 0.8196000 -3.045000      1.639000  
1 1 1 -7  10 3  o 93.10000 0.7090000 1.492000       1.418000  
1 1 1 -7  10 4  f 51.17000 0.5359000 -0.3175000     1.072000  
1 1 1 -7  10 5  o 43.82000 0.5195000 0.5598000      1.039000  
1 1 1 -7  10 6  o 43.64000 0.5207000 -1.924000      1.041000  
1 1 1 -7  10 7  o 25.99000 0.6586000 -0.1692000     1.317000  
1 1 1 -7  10 8  o 53.28000 0.8600000 -1.136000      1.720000  
1 1 1 -7  10 9  o 28.99000 0.7023000 -0.8570000     1.405000  
1 1 1 -7  10 10 o 35.08000 0.6855000 0.3678000      1.371000  
1 1 1 -7  10 11 o 9.882000 2.032000  -2.763000      4.063000  
1 1 1 -7  10 12 o 41.55000 0.6747000 -1.230000      1.349000  
1 1 1 -7  10 13 o 37.02000 0.7529000 -0.1753000     1.506000  
1 1 1 -7  10 14 o 28.39000 0.9533000 1.519000       1.907000  
1 1 1 -7  10 15 o 12.66000 2.079000  -3.363000      4.158000  
1 1 1 -7  10 16 o 23.52000 1.160000  0.9584000E-01  2.320000  
1 1 1 -7  10 17 o 8.495000 2.115000  6.478000       4.230000  
1 1 1 -7  10 18 o 18.80000 1.525000  -1.135000      3.050000  
1 1 1 -7  10 19 o 28.67000 1.044000  1.789000       2.089000  
1 1 1 -7  10 20 o 27.72000 1.096000  1.245000       2.193000  
1 1 1 -7  10 21 o 11.37000 2.585000  1.097000       5.171000  
1 1 1 -7  10 22 o 13.12000 2.453000  -8.010000      4.906000  
1 1 1 -7  10 23 o 5.818000 2.013000  -0.2722000     4.026000  
1 1 1 -7  10 24 o 6.798000 2.262000  -0.3045000     4.523000  
1 1 1 -7  10 25 o 7.783000 2.475000  0.7493000      4.951000  
1 1 1 -7  10 26 o 6.271000 2.145000  0.7118000      4.290000  
1 1 1 -7  11 1  o 31.20000 0.8613000 -1.643000      1.723000  
1 1 1 -7  11 2  o 64.28000 0.5801000 -1.085000      1.160000  
1 1 1 -7  11 3  o 18.25000 1.027000  -0.5958000     2.055000  
1 1 1 -7  11 4  o 51.70000 0.5521000 0.3803000      1.104000  
1 1 1 -7  11 5  o 47.77000 0.5553000 -0.4533000     1.111000  
1 1 1 -7  11 6  o 7.960000 1.849000  -0.8067000     3.699000  
1 1 1 -7  11 7  o 36.08000 0.5906000 -0.6335000     1.181000  
1 1 1 -7  11 8  o 41.62000 0.5791000 -0.9988000     1.158000  
1 1 1 -7  11 9  o 62.90000 0.6056000 -0.7900000     1.211000  
1 1 1 -7  11 10 o 40.53000 0.6400000 -0.2405000     1.280000  
1 1 1 -7  11 11 o 13.58000 1.726000  -0.3941000     3.452000  
1 1 1 -7  11 12 o 35.74000 0.7589000 0.2725000      1.518000  
1 1 1 -7  11 13 o 18.69000 2.146000  1.635000       4.291000  
1 1 1 -7  11 14 o 34.93000 0.7835000 -1.596000      1.567000  
1 1 1 -7  11 15 o 19.38000 1.364000  1.284000       2.729000  
1 1 1 -7  11 16 o 7.618000 2.171000  -1.049000      4.341000  
1 1 1 -7  11 17 o 14.89000 1.883000  -3.213000      3.766000  
1 1 1 -7  11 18 o 12.15000 2.199000  3.646000       4.398000  
1 1 1 -7  11 19 o 7.014000 2.145000  0.8059000      4.289000  
1 1 1 -7  11 20 o 9.888000 2.624000  1.579000       5.248000  
1 1 1 -7  11 21 o 7.761000 2.383000  -1.639000      4.765000  
1 1 1 -7  11 22 o 6.728000 2.217000  -1.348000      4.433000  
1 1 1 -7  11 23 o 7.028000 2.283000  -2.484000      4.567000  
1 1 1 -7  11 24 o 7.076000 2.304000  -1.455000      4.608000  
1 1 1 -7  11 25 o 7.951000 2.484000  -1.904000      4.967000  
1 1 1 -7  11 26 o 5.600000 1.961000  0.9659000E-01  3.921000  
1 1 1 -7  12 1  o 37.89000 0.6575000 -1.849000      1.315000  
1 1 1 -7  12 2  o 89.71000 0.7012000 -1.253000      1.402000  
1 1 1 -7  12 3  o 42.29000 0.6104000 1.370000       1.221000  
1 1 1 -7  12 4  o 37.37000 0.6256000 -1.127000      1.251000  
1 1 1 -7  12 5  o 50.32000 0.5925000 -0.7572000     1.185000  
1 1 1 -7  12 6  o 25.68000 0.8096000 1.704000       1.619000  
1 1 1 -7  12 7  o 16.13000 1.298000  -2.721000      2.596000  
1 1 1 -7  12 8  o 16.24000 1.384000  -6.176000      2.767000  
1 1 1 -7  12 9  o 26.78000 0.8042000 -1.638000      1.608000  
1 1 1 -7  12 10 o 6.995000 1.949000  0.3963000      3.897000  
1 1 1 -7  12 11 o 10.40000 1.991000  1.768000       3.981000  
1 1 1 -7  12 12 o 18.67000 1.216000  0.4261000      2.432000  
1 1 1 -7  12 13 o 8.494000 2.129000  1.440000       4.257000  
1 1 1 -7  12 14 o 20.14000 1.253000  1.525000       2.506000  
1 1 1 -7  12 15 o 16.92000 1.559000  -0.6398000     3.118000  
1 1 1 -7  12 16 o 7.360000 2.136000  1.984000       4.273000  
1 1 1 -7  12 17 o 17.36000 1.586000  -2.289000      3.172000  
1 1 1 -7  12 18 o 5.495000 1.836000  1.047000       3.671000  
1 1 1 -7  12 19 o 16.10000 2.239000  0.7721000      4.478000  
1 1 1 -7  12 20 o 15.51000 2.341000  -0.5338000     4.682000  
1 1 1 -7  12 21 o 7.170000 2.225000  2.961000       4.449000  
1 1 1 -7  12 22 o 7.403000 2.341000  -2.240000      4.682000  
1 1 1 -7  12 23 f 7.752000 2.451000  0.1178000      4.903000  
1 1 1 -7  12 24 o 5.819000 2.009000  -0.5906000     4.018000  
1 1 1 -7  12 25 o 6.178000 2.117000  -0.3045000     4.234000  
1 1 1 -7  13 1  o 14.33000 1.639000  -2.372000      3.277000  
1 1 1 -7  13 2  o 23.05000 1.012000  -0.8908000     2.024000  
1 1 1 -7  13 3  o 48.15000 0.5980000 -1.380000      1.196000  
1 1 1 -7  13 4  o 61.20000 0.5912000 1.653000       1.182000  
1 1 1 -7  13 5  o 52.49000 0.5934000 -1.959000      1.187000  
1 1 1 -7  13 6  o 53.27000 0.5922000 -1.236000      1.184000  
1 1 1 -7  13 7  o 35.74000 0.6578000 0.9277000      1.316000  
1 1 1 -7  13 8  o 14.59000 1.363000  2.207000       2.725000  
1 1 1 -7  13 9  f 8.577000 1.910000  -2.296000      3.820000  
1 1 1 -7  13 10 o 31.68000 0.6994000 -0.2537000     1.399000  
1 1 1 -7  13 11 o 7.159000 1.965000  -0.6005000E-01 3.929000  
1 1 1 -7  13 12 o 39.05000 1.102000  0.8367000      2.204000  
1 1 1 -7  13 13 o 13.25000 1.786000  8.519000       3.571000  
1 1 1 -7  13 14 o 27.53000 0.8964000 0.3533000      1.793000  
1 1 1 -7  13 15 o 14.84000 1.784000  6.186000       3.567000  
1 1 1 -7  13 16 o 10.78000 2.214000  -2.330000      4.428000  
1 1 1 -7  13 17 o 28.35000 1.182000  -1.004000      2.364000  
1 1 1 -7  13 18 o 16.58000 2.046000  0.9742000      4.092000  
1 1 1 -7  13 19 o 19.97000 1.737000  -0.6506000     3.474000  
1 1 1 -7  13 20 o 5.867000 1.994000  0.3663000      3.987000  
1 1 1 -7  13 21 o 9.708000 2.495000  -5.317000      4.990000  
1 1 1 -7  13 22 o 15.19000 2.477000  -1.485000      4.954000  
1 1 1 -7  13 23 o 7.059000 2.291000  0.5079000      4.581000  
1 1 1 -7  13 24 o 6.261000 2.124000  3.377000       4.247000  
1 1 1 -7  14 1  o 15.27000 2.154000  -0.3543000     4.308000  
1 1 1 -7  14 2  o 32.04000 0.7446000 -1.655000      1.489000  
1 1 1 -7  14 3  o 44.14000 0.5952000 0.1903000      1.190000  
1 1 1 -7  14 4  o 37.94000 0.6265000 0.7699000      1.253000  
1 1 1 -7  14 5  o 32.21000 0.7079000 -1.477000      1.416000  
1 1 1 -7  14 6  f 11.43000 1.843000  -2.633000      3.686000  
1 1 1 -7  14 7  o 6.580000 1.907000  -0.3945000E-01 3.815000  
1 1 1 -7  14 8  o 17.08000 1.204000  1.366000       2.408000  
1 1 1 -7  14 9  o 14.15000 1.496000  -1.506000      2.992000  
1 1 1 -7  14 10 o 5.821000 1.818000  1.275000       3.637000  
1 1 1 -7  14 11 o 10.97000 1.797000  -6.105000      3.594000  
1 1 1 -7  14 12 o 13.27000 1.674000  3.890000       3.348000  
1 1 1 -7  14 13 o 22.66000 1.041000  -1.362000      2.081000  
1 1 1 -7  14 14 o 8.457000 2.007000  -4.669000      4.015000  
1 1 1 -7  14 15 f 12.81000 2.147000  4.548000       4.293000  
1 1 1 -7  14 16 o 7.987000 2.315000  1.009000       4.630000  
1 1 1 -7  14 17 o 5.988000 2.003000  -0.6141000     4.006000  
1 1 1 -7  14 18 o 5.361000 1.836000  -0.4014000     3.672000  
1 1 1 -7  14 19 o 7.963000 2.321000  -2.745000      4.643000  
1 1 1 -7  14 20 o 6.099000 2.019000  2.786000       4.039000  
1 1 1 -7  14 21 o 6.619000 2.129000  2.414000       4.258000  
1 1 1 -7  14 22 o 9.824000 2.346000  7.654000       4.692000  
1 1 1 -7  15 1  o 7.388000 2.063000  -0.4034000     4.126000  
1 1 1 -7  15 2  o 18.35000 1.244000  -0.5892000     2.488000  
1 1 1 -7  15 3  f 18.87000 1.178000  -1.714000      2.356000  
1 1 1 -7  15 4  o 23.07000 1.557000  -3.510000      3.114000  
1 1 1 -7  15 5  o 33.66000 0.7418000 1.291000       1.484000  
1 1 1 -7  15 6  o 23.52000 0.9901000 -1.875000      1.980000  
1 1 1 -7  15 7  o 6.549000 1.744000  -4.481000      3.488000  
1 1 1 -7  15 8  o 32.96000 1.115000  -3.015000      2.231000  
1 1 1 -7  15 9  o 25.08000 1.392000  -0.7071000     2.783000  
1 1 1 -7  15 10 o 13.40000 1.722000  -5.231000      3.443000  
1 1 1 -7  15 11 o 21.32000 1.015000  1.160000       2.030000  
1 1 1 -7  15 12 o 17.47000 1.293000  0.8966000      2.586000  
1 1 1 -7  15 13 o 5.456000 1.803000  2.508000       3.606000  
1 1 1 -7  15 14 o 7.363000 2.122000  3.050000       4.244000  
1 1 1 -7  15 15 o 15.90000 2.038000  4.007000       4.076000  
1 1 1 -7  15 16 o 6.684000 2.128000  -0.9411000     4.255000  
1 1 1 -7  15 17 o 12.20000 2.474000  -1.136000      4.948000  
1 1 1 -7  15 18 o 15.45000 2.124000  -7.395000      4.247000  
1 1 1 -7  15 19 o 11.54000 2.536000  -3.461000      5.072000  
1 1 1 -7  15 20 f 6.788000 2.165000  1.838000       4.330000  
1 1 1 -7  16 1  o 17.49000 1.415000  2.729000       2.830000  
1 1 1 -7  16 2  o 9.269000 2.110000  2.544000       4.220000  
1 1 1 -7  16 3  o 8.887000 2.003000  -4.525000      4.005000  
1 1 1 -7  16 4  o 7.590000 1.898000  -4.322000      3.795000  
1 1 1 -7  16 5  o 7.884000 1.933000  -4.184000      3.866000  
1 1 1 -7  16 6  o 10.24000 1.845000  7.115000       3.690000  
1 1 1 -7  16 7  o 5.012000 1.674000  0.8597000      3.348000  
1 1 1 -7  16 8  o 8.748000 1.846000  -5.339000      3.692000  
1 1 1 -7  16 9  o 11.71000 1.895000  -2.206000      3.791000  
1 1 1 -7  16 10 o 6.069000 1.847000  -1.540000      3.694000  
1 1 1 -7  16 11 o 9.058000 1.989000  6.748000       3.978000  
1 1 1 -7  16 12 o 6.808000 2.023000  3.102000       4.045000  
1 1 1 -7  16 13 o 7.265000 2.158000  -0.2273000     4.316000  
1 1 1 -7  16 14 f 4.753000 1.661000  -0.5030000E-01 3.322000  
1 1 1 -7  16 15 o 7.340000 2.191000  -0.3338000     4.382000  
1 1 1 -7  16 16 o 10.69000 2.259000  -6.871000      4.518000  
1 1 1 -7  17 1  o 10.23000 2.234000  -0.4487000     4.468000  
1 1 1 -7  17 2  o 15.38000 1.684000  3.656000       3.368000  
1 1 1 -7  17 3  o 5.248000 1.748000  0.7182000      3.496000  
1 1 1 -7  17 4  o 7.644000 2.046000  2.125000       4.092000  
1 1 1 -7  17 5  o 14.18000 1.781000  -5.175000      3.562000  
1 1 1 -7  17 6  o 8.808000 2.082000  3.746000       4.163000  
1 1 1 -7  17 7  o 16.26000 1.699000  4.502000       3.398000  
1 1 1 -7  17 8  o 10.25000 2.408000  1.409000       4.816000  
1 1 1 -7  17 9  o 7.932000 2.272000  -0.8973000     4.543000  
1 1 1 -7  17 10 o 10.60000 2.325000  2.160000       4.650000  
1 1 1 -7  17 11 o 5.565000 1.853000  1.539000       3.706000  
1 1 1 -7  17 12 o 11.37000 2.120000  -7.521000      4.239000  
1 1 1 -7  18 1  o 15.02000 2.352000  3.473000       4.704000  
1 1 1 -7  18 2  o 14.89000 2.316000  -0.7689000     4.633000  
1 1 1 -7  18 3  o 8.613000 2.411000  -1.834000      4.823000  
1 1 1 -7  18 4  o 10.82000 2.422000  0.9535000      4.844000  
1 1 1 -7  18 5  o 8.423000 2.399000  0.3518000      4.797000  
1 1 1 -7  18 6  f 9.175000 2.336000  5.075000       4.673000  
1 1 1 -7  18 7  o 10.72000 2.540000  1.697000       5.080000  
1 1 1 -7  19 1  o 6.489000 2.162000  -0.6837000     4.324000  
1 1 1 -6  0  1  o 120.7000 1.213000  0.000000       0.000000  
1 1 1 -6  0  2  o 240.4000 2.388000  -0.000000      0.000000  
1 1 1 -6  0  3  o 110.9000 1.116000  -0.000000      0.000000  
1 1 1 -6  0  4  o 114.4000 1.150000  -0.000000      0.000000  
1 1 1 -6  0  5  o 87.20000 0.8961000 -0.000000      0.000000  
1 1 1 -6  0  6  o 3.829000 2.343000  -0.000000      0.000000  
1 1 1 -6  0  7  f 64.98000 0.7397000 -0.000000      0.000000  
1 1 1 -6  0  8  o 22.98000 1.047000  -0.000000      0.000000  
1 1 1 -6  0  9  o 3.832000 2.523000  -0.000000      0.000000  
1 1 1 -6  0  10 o 43.90000 1.090000  -0.000000      0.000000  
1 1 1 -6  0  11 o 115.7000 1.191000  -0.000000      0.000000  
1 1 1 -6  0  12 o 59.01000 0.7912000 -0.000000      0.000000  
1 1 1 -6  0  14 o 39.84000 0.9831000 -0.000000      0.000000  
1 1 1 -6  0  15 o 34.74000 1.604000  -0.000000      0.000000  
1 1 1 -6  0  16 o 4.342000 2.925000  0.000000       0.000000  
1 1 1 -6  0  17 o 26.85000 1.559000  -0.000000      0.000000  
1 1 1 -6  0  18 o 6.235000 3.822000  -0.000000      0.000000  
1 1 1 -6  0  19 o 4.495000 3.106000  -0.000000      0.000000  
1 1 1 -6  0  20 o 7.625000 4.246000  -0.000000      0.000000  
1 1 1 -6  0  21 o 28.57000 1.727000  -0.000000      0.000000  
1 1 1 -6  0  22 o 6.883000 4.061000  -0.000000      0.000000  
1 1 1 -6  0  23 o 39.60000 1.371000  0.000000       0.000000  
1 1 1 -6  0  24 o 32.57000 1.514000  -0.000000      0.000000  
1 1 1 -6  0  25 o 33.07000 1.525000  -0.000000      0.000000  
1 1 1 -6  0  26 o 3.813000 2.730000  0.000000       0.000000  
1 1 1 -6  0  27 o 11.22000 4.222000  -0.000000      0.000000  
1 1 1 -6  0  28 o 18.99000 2.349000  -0.000000      0.000000  
1 1 1 -6  1  1  o 50.45000 0.4165000 0.8141000      0.8331000 
1 1 1 -6  1  2  o 28.32000 0.3919000 -0.5709000E-01 0.7838000 
1 1 1 -6  1  3  o 32.12000 0.3744000 1.978000       0.7488000 
1 1 1 -6  1  4  o 7.517000 1.313000  0.4209000      2.626000  
1 1 1 -6  1  5  o 30.56000 0.4347000 -1.501000      0.8695000 
1 1 1 -6  1  6  o 76.87000 0.5722000 -1.731000      1.144000  
1 1 1 -6  1  7  o 69.57000 0.5444000 -0.1649000     1.089000  
1 1 1 -6  1  8  o 36.30000 0.5212000 -1.054000      1.042000  
1 1 1 -6  1  9  o 54.83000 0.5934000 ?              ?         
1 1 1 -6  1  10 o 63.65000 0.7963000 -1.239000      1.593000  
1 1 1 -6  1  11 o 71.22000 0.8650000 2.639000       1.730000  
1 1 1 -6  1  12 o 67.14000 0.5878000 1.621000       1.176000  
1 1 1 -6  1  13 o 80.71000 0.6447000 0.9117000      1.289000  
1 1 1 -6  1  14 o 73.23000 0.7212000 -1.064000      1.442000  
1 1 1 -6  1  15 o 104.1000 0.9142000 -1.969000      1.828000  
1 1 1 -6  1  16 o 36.84000 0.9031000 0.4397000      1.806000  
1 1 1 -6  1  17 o 58.18000 0.7497000 0.4379000      1.499000  
1 1 1 -6  1  18 o 64.93000 0.8064000 1.929000       1.613000  
1 1 1 -6  1  19 o 8.442000 2.512000  -1.768000      5.024000  
1 1 1 -6  1  20 o 33.29000 1.064000  0.4196000E-01  2.128000  
1 1 1 -6  1  21 o 26.56000 1.338000  0.6303000      2.675000  
1 1 1 -6  1  22 f 38.84000 1.108000  -1.217000      2.215000  
1 1 1 -6  1  23 o 35.31000 1.012000  -0.2093000     2.024000  
1 1 1 -6  1  24 o 41.85000 0.9069000 0.1868000      1.814000  
1 1 1 -6  1  25 o 9.805000 2.526000  2.852000       5.052000  
1 1 1 -6  1  26 o 16.85000 2.072000  -6.797000      4.145000  
1 1 1 -6  1  27 o 8.094000 2.192000  -5.159000      4.384000  
1 1 1 -6  1  28 o 6.035000 2.023000  0.4743000      4.045000  
1 1 1 -6  2  1  o 46.91000 0.3978000 1.173000       0.7955000 
1 1 1 -6  2  2  f 140.8000 0.9952000 3.625000       1.990000  
1 1 1 -6  2  3  f 128.9000 0.9134000 3.908000       1.827000  
1 1 1 -6  2  4  o 110.1000 0.7856000 2.450000       1.571000  
1 1 1 -6  2  5  o 61.81000 0.6007000 -3.055000      1.201000  
1 1 1 -6  2  6  o 158.6000 1.123000  1.936000       2.245000  
1 1 1 -6  2  7  o 106.3000 0.7714000 -1.422000      1.543000  
1 1 1 -6  2  8  o 86.53000 0.7570000 0.3826000      1.514000  
1 1 1 -6  2  9  o 67.86000 0.6602000 -0.2693000     1.320000  
1 1 1 -6  2  10 o 97.60000 0.8462000 1.327000       1.692000  
1 1 1 -6  2  11 o 117.4000 0.9939000 1.123000       1.988000  
1 1 1 -6  2  12 o 25.28000 0.8614000 -1.047000      1.723000  
1 1 1 -6  2  13 o 38.59000 0.7365000 1.716000       1.473000  
1 1 1 -6  2  14 o 27.41000 0.9813000 1.725000       1.963000  
1 1 1 -6  2  15 o 35.83000 0.8805000 2.884000       1.761000  
1 1 1 -6  2  16 o 34.24000 0.9555000 4.256000       1.911000  
1 1 1 -6  2  17 o 46.77000 0.8300000 1.222000       1.660000  
1 1 1 -6  2  18 o 10.09000 2.612000  -1.605000      5.223000  
1 1 1 -6  2  19 f 40.00000 1.012000  1.565000       2.024000  
1 1 1 -6  2  20 o 20.44000 1.986000  1.267000       3.972000  
1 1 1 -6  2  21 o 10.56000 2.696000  -0.8532000E-01 5.392000  
1 1 1 -6  2  22 o 19.45000 2.142000  -6.411000      4.284000  
1 1 1 -6  2  23 f 29.22000 1.552000  -2.001000      3.105000  
1 1 1 -6  2  24 o 31.11000 1.164000  -2.658000      2.328000  
1 1 1 -6  2  25 o 10.77000 2.563000  -2.123000      5.126000  
1 1 1 -6  2  26 o 24.40000 1.402000  -0.1446000     2.804000  
1 1 1 -6  2  27 o 6.804000 2.165000  2.332000       4.331000  
1 1 1 -6  2  28 o 10.50000 2.859000  2.777000       5.718000  
1 1 1 -6  2  29 o 8.052000 3.667000  ?              ?         
1 1 1 -6  3  1  o 43.20000 0.3919000 0.1511000E-01  0.7837000 
1 1 1 -6  3  2  o 15.41000 0.5504000 0.3139000      1.101000  
1 1 1 -6  3  3  o 43.05000 0.3938000 1.570000       0.7875000 
1 1 1 -6  3  4  o 49.02000 0.4812000 1.493000       0.9623000 
1 1 1 -6  3  5  o 32.37000 0.4164000 1.224000       0.8328000 
1 1 1 -6  3  6  o 8.663000 1.750000  0.4078000      3.500000  
1 1 1 -6  3  7  o 85.69000 0.7536000 0.6350000      1.507000  
1 1 1 -6  3  8  o 46.99000 0.6052000 0.8827000      1.210000  
1 1 1 -6  3  9  o 92.40000 0.8038000 -0.9794000     1.608000  
1 1 1 -6  3  10 o 16.07000 1.129000  -0.2172000     2.257000  
1 1 1 -6  3  11 o 121.5000 0.8813000 -0.2819000     1.763000  
1 1 1 -6  3  12 o 155.2000 1.110000  2.498000       2.219000  
1 1 1 -6  3  13 f 65.60000 0.6083000 -0.6120000     1.217000  
1 1 1 -6  3  14 o 72.58000 0.7119000 1.646000       1.424000  
1 1 1 -6  3  15 o 35.17000 0.8635000 -0.9493000     1.727000  
1 1 1 -6  3  16 o 52.84000 0.7638000 2.056000       1.528000  
1 1 1 -6  3  17 o 42.73000 0.8988000 1.748000       1.798000  
1 1 1 -6  3  18 o 29.96000 1.213000  1.122000       2.426000  
1 1 1 -6  3  19 o 25.87000 1.455000  -1.337000      2.911000  
1 1 1 -6  3  20 o 55.33000 0.8580000 -0.6495000     1.716000  
1 1 1 -6  3  21 o 18.84000 2.178000  0.8166000      4.355000  
1 1 1 -6  3  22 o 14.19000 2.515000  -4.168000      5.029000  
1 1 1 -6  3  23 o 34.61000 1.107000  -1.728000      2.213000  
1 1 1 -6  3  24 o 9.129000 2.516000  1.655000       5.033000  
1 1 1 -6  3  25 o 11.06000 2.659000  0.9451000      5.318000  
1 1 1 -6  3  26 o 8.588000 2.507000  -3.343000      5.013000  
1 1 1 -6  3  27 f 7.699000 2.467000  -2.081000      4.933000  
1 1 1 -6  3  28 o 8.062000 2.515000  3.942000       5.030000  
1 1 1 -6  3  29 o 10.30000 2.863000  -2.587000      5.725000  
1 1 1 -6  4  1  o 126.6000 1.111000  1.914000       2.222000  
1 1 1 -6  4  2  o 161.4000 1.402000  -1.995000      2.804000  
1 1 1 -6  4  3  o 117.4000 1.043000  3.362000       2.086000  
1 1 1 -6  4  4  o 147.1000 1.293000  4.448000       2.586000  
1 1 1 -6  4  5  o 133.3000 1.104000  0.1964000E-01  2.208000  
1 1 1 -6  4  6  o 63.43000 0.6272000 0.9346000      1.254000  
1 1 1 -6  4  7  o 9.238000 1.792000  -2.136000      3.584000  
1 1 1 -6  4  8  o 128.2000 0.9199000 0.3861000      1.840000  
1 1 1 -6  4  9  o 75.23000 0.5999000 -0.7419000     1.200000  
1 1 1 -6  4  10 o 58.83000 0.5476000 -0.4240000     1.095000  
1 1 1 -6  4  11 o 45.70000 0.5679000 -0.3792000     1.136000  
1 1 1 -6  4  12 o 42.21000 0.6273000 1.251000       1.255000  
1 1 1 -6  4  13 o 33.16000 0.7585000 -2.296000      1.517000  
1 1 1 -6  4  14 o 32.64000 0.8077000 0.6676000E-01  1.615000  
1 1 1 -6  4  15 o 37.92000 0.8373000 -2.588000      1.675000  
1 1 1 -6  4  16 o 19.48000 1.664000  -0.7161000     3.328000  
1 1 1 -6  4  17 o 28.23000 1.320000  -3.888000      2.640000  
1 1 1 -6  4  18 o 13.58000 2.498000  3.559000       4.996000  
1 1 1 -6  4  19 o 16.84000 2.317000  -0.1266000     4.634000  
1 1 1 -6  4  20 o 36.61000 1.112000  2.030000       2.224000  
1 1 1 -6  4  21 o 6.676000 2.232000  -2.917000      4.464000  
1 1 1 -6  4  22 o 13.21000 2.624000  -1.692000      5.248000  
1 1 1 -6  4  23 o 13.14000 2.681000  -3.064000      5.362000  
1 1 1 -6  4  24 o 11.75000 2.648000  -2.181000      5.296000  
1 1 1 -6  4  25 o 5.922000 2.061000  -3.226000      4.122000  
1 1 1 -6  4  26 o 13.38000 2.307000  4.178000       4.614000  
1 1 1 -6  4  28 o 8.267000 2.513000  -3.003000      5.027000  
1 1 1 -6  4  29 o 7.741000 2.522000  2.637000       5.044000  
1 1 1 -6  5  1  o 23.62000 0.8244000 0.3537000      1.649000  
1 1 1 -6  5  2  o 21.44000 0.8620000 -0.1566000     1.724000  
1 1 1 -6  5  3  o 51.66000 0.7542000 0.2028000      1.508000  
1 1 1 -6  5  4  o 58.27000 0.7762000 0.7090000      1.552000  
1 1 1 -6  5  5  o 60.90000 0.6398000 -0.3436000     1.280000  
1 1 1 -6  5  6  o 61.78000 0.6331000 2.537000       1.266000  
1 1 1 -6  5  7  o 46.02000 0.4731000 1.154000       0.9461000 
1 1 1 -6  5  8  o 49.32000 0.4992000 -2.491000      0.9984000 
1 1 1 -6  5  9  o 22.65000 0.7574000 2.521000       1.515000  
1 1 1 -6  5  10 o 25.69000 0.7609000 -2.583000      1.522000  
1 1 1 -6  5  11 o 61.50000 0.5787000 1.053000       1.157000  
1 1 1 -6  5  12 o 75.05000 0.6315000 0.4262000      1.263000  
1 1 1 -6  5  13 o 27.11000 1.370000  0.8025000      2.740000  
1 1 1 -6  5  14 o 74.98000 0.6630000 1.368000       1.326000  
1 1 1 -6  5  15 o 55.24000 0.6656000 2.948000       1.331000  
1 1 1 -6  5  16 o 79.51000 0.7848000 2.773000       1.570000  
1 1 1 -6  5  17 o 29.14000 1.206000  0.2799000      2.412000  
1 1 1 -6  5  18 o 40.72000 0.9885000 4.127000       1.977000  
1 1 1 -6  5  19 o 35.07000 1.086000  0.5855000      2.171000  
1 1 1 -6  5  20 o 19.07000 1.960000  -0.2364000     3.921000  
1 1 1 -6  5  21 o 8.931000 2.577000  -3.129000      5.155000  
1 1 1 -6  5  22 o 13.99000 2.511000  -0.3219000     5.021000  
1 1 1 -6  5  23 o 13.78000 2.438000  4.733000       4.876000  
1 1 1 -6  5  24 o 6.209000 2.085000  0.6084000E-01  4.170000  
1 1 1 -6  5  25 o 9.419000 2.416000  2.120000       4.832000  
1 1 1 -6  5  26 o 7.241000 2.399000  0.2641000      4.797000  
1 1 1 -6  5  27 f 10.01000 2.778000  -3.525000      5.555000  
1 1 1 -6  5  28 o 7.776000 2.449000  3.588000       4.898000  
1 1 1 -6  5  29 o 6.727000 2.303000  -1.325000      4.607000  
1 1 1 -6  6  1  o 82.85000 0.7319000 -0.5382000     1.464000  
1 1 1 -6  6  2  o 64.49000 0.6711000 1.122000       1.342000  
1 1 1 -6  6  3  o 105.1000 1.098000  -0.1282000E-02 2.197000  
1 1 1 -6  6  4  o 78.50000 0.8824000 1.977000       1.765000  
1 1 1 -6  6  5  o 57.22000 0.6873000 0.7113000      1.375000  
1 1 1 -6  6  6  o 175.8000 1.258000  -1.565000      2.515000  
1 1 1 -6  6  7  o 105.8000 0.7759000 0.2739000      1.552000  
1 1 1 -6  6  8  o 65.01000 0.5491000 -0.3054000     1.098000  
1 1 1 -6  6  9  o 53.83000 0.5355000 -0.7335000E-01 1.071000  
1 1 1 -6  6  10 o 67.42000 0.5861000 -1.858000      1.172000  
1 1 1 -6  6  11 o 44.76000 0.5787000 -0.9722000     1.157000  
1 1 1 -6  6  12 o 18.84000 1.173000  0.7652000      2.346000  
1 1 1 -6  6  13 o 5.868000 1.852000  1.950000       3.704000  
1 1 1 -6  6  14 o 21.67000 1.193000  0.8184000      2.385000  
1 1 1 -6  6  15 o 46.74000 0.7184000 -0.6297000     1.437000  
1 1 1 -6  6  16 o 9.640000 2.470000  -4.093000      4.940000  
1 1 1 -6  6  17 o 16.74000 2.058000  -8.803000      4.116000  
1 1 1 -6  6  18 o 24.60000 1.495000  1.295000       2.990000  
1 1 1 -6  6  19 o 13.19000 2.502000  -6.965000      5.003000  
1 1 1 -6  6  20 o 7.465000 2.314000  0.8350000E-01  4.627000  
1 1 1 -6  6  21 o 12.52000 2.475000  2.960000       4.951000  
1 1 1 -6  6  22 o 18.23000 2.094000  6.107000       4.188000  
1 1 1 -6  6  23 o 9.065000 2.530000  -4.286000      5.060000  
1 1 1 -6  6  24 o 6.952000 2.246000  -4.336000      4.492000  
1 1 1 -6  6  25 o 8.188000 2.460000  -4.920000      4.919000  
1 1 1 -6  6  26 o 9.987000 2.785000  -2.641000      5.570000  
1 1 1 -6  6  27 o 7.649000 2.448000  -1.992000      4.896000  
1 1 1 -6  6  28 o 7.888000 2.503000  3.584000       5.005000  
1 1 1 -6  6  29 o 7.654000 2.521000  -2.546000      5.042000  
1 1 1 -6  7  1  o 38.00000 0.6231000 1.297000       1.246000  
1 1 1 -6  7  2  o 59.51000 0.6644000 -0.2531000E-01 1.329000  
1 1 1 -6  7  3  o 45.68000 0.6279000 0.8008000      1.256000  
1 1 1 -6  7  4  o 43.46000 0.4391000 -0.8011000     0.8782000 
1 1 1 -6  7  5  o 100.7000 0.7524000 0.7955000      1.505000  
1 1 1 -6  7  6  o 59.79000 0.5146000 -0.6102000     1.029000  
1 1 1 -6  7  7  o 59.29000 0.5207000 0.6558000      1.041000  
1 1 1 -6  7  8  o 25.43000 0.6354000 -0.8904000     1.271000  
1 1 1 -6  7  9  o 56.02000 0.5437000 0.2556000      1.087000  
1 1 1 -6  7  10 o 87.09000 0.8137000 -1.808000      1.627000  
1 1 1 -6  7  11 o 54.09000 0.5713000 -0.7189000     1.143000  
1 1 1 -6  7  12 o 46.60000 0.6154000 0.5919000      1.231000  
1 1 1 -6  7  13 o 26.63000 0.9424000 1.702000       1.885000  
1 1 1 -6  7  14 o 57.32000 0.6497000 -1.678000      1.299000  
1 1 1 -6  7  15 o 25.55000 1.175000  -2.430000      2.350000  
1 1 1 -6  7  16 o 47.13000 0.7503000 -0.1932000     1.501000  
1 1 1 -6  7  17 o 26.80000 1.268000  -1.634000      2.537000  
1 1 1 -6  7  18 o 26.03000 1.332000  -0.2704000     2.663000  
1 1 1 -6  7  19 o 26.01000 1.345000  -1.476000      2.689000  
1 1 1 -6  7  20 o 33.55000 1.051000  -0.6584000     2.102000  
1 1 1 -6  7  21 o 26.70000 1.288000  0.6743000      2.576000  
1 1 1 -6  7  22 o 38.04000 0.9822000 3.873000       1.964000  
1 1 1 -6  7  23 o 12.53000 2.463000  -4.733000      4.925000  
1 1 1 -6  7  24 f 11.00000 2.578000  1.589000       5.157000  
1 1 1 -6  7  25 o 6.935000 2.293000  0.7701000      4.586000  
1 1 1 -6  7  26 o 6.774000 2.261000  -1.412000      4.523000  
1 1 1 -6  7  27 o 8.153000 2.566000  0.3734000      5.132000  
1 1 1 -6  7  28 o 7.930000 2.534000  1.227000       5.068000  
1 1 1 -6  7  29 o 6.178000 2.155000  0.2732000      4.311000  
1 1 1 -6  8  1  o 51.64000 0.6210000 0.6109000      1.242000  
1 1 1 -6  8  2  o 74.51000 0.7428000 1.314000       1.486000  
1 1 1 -6  8  3  o 106.4000 0.7821000 1.084000       1.564000  
1 1 1 -6  8  4  o 229.2000 1.637000  3.855000       3.273000  
1 1 1 -6  8  5  o 107.3000 0.7884000 -1.531000      1.577000  
1 1 1 -6  8  6  o 65.00000 0.5427000 0.2333000      1.085000  
1 1 1 -6  8  7  o 111.5000 0.8185000 1.923000       1.637000  
1 1 1 -6  8  8  o 87.45000 0.6743000 2.114000       1.349000  
1 1 1 -6  8  9  o 88.52000 0.6847000 -0.8911000     1.369000  
1 1 1 -6  8  10 o 122.7000 0.8995000 0.6906000      1.799000  
1 1 1 -6  8  11 o 87.10000 0.6949000 1.120000       1.390000  
1 1 1 -6  8  12 o 40.11000 0.6690000 0.5494000      1.338000  
1 1 1 -6  8  13 o 32.32000 0.8232000 4.327000       1.646000  
1 1 1 -6  8  14 o 14.04000 1.920000  -2.125000      3.840000  
1 1 1 -6  8  15 o 6.067000 1.968000  1.567000       3.937000  
1 1 1 -6  8  16 o 30.70000 1.028000  -2.482000      2.055000  
1 1 1 -6  8  17 o 30.68000 1.040000  0.1146000      2.079000  
1 1 1 -6  8  18 o 20.46000 1.561000  -4.489000      3.122000  
1 1 1 -6  8  19 o 8.815000 2.405000  1.777000       4.811000  
1 1 1 -6  8  20 o 22.26000 1.455000  -3.691000      2.909000  
1 1 1 -6  8  21 o 10.33000 2.508000  2.140000       5.015000  
1 1 1 -6  8  22 o 16.26000 2.085000  -1.498000      4.170000  
1 1 1 -6  8  23 o 9.112000 2.330000  3.426000       4.661000  
1 1 1 -6  8  24 o 8.931000 2.650000  0.6558000      5.300000  
1 1 1 -6  8  25 o 9.584000 2.588000  -5.695000      5.177000  
1 1 1 -6  8  26 o 6.328000 2.167000  -0.8129000     4.334000  
1 1 1 -6  8  27 o 7.457000 2.429000  2.263000       4.858000  
1 1 1 -6  8  28 o 10.01000 2.897000  -0.1016000     5.794000  
1 1 1 -6  9  1  o 44.39000 0.6292000 -1.937000      1.258000  
1 1 1 -6  9  2  o 49.69000 0.5057000 -0.4813000     1.011000  
1 1 1 -6  9  3  o 41.62000 0.4836000 1.212000       0.9671000 
1 1 1 -6  9  4  o 32.79000 0.5207000 -0.7619000     1.041000  
1 1 1 -6  9  5  o 41.11000 0.4923000 -0.4588000E-01 0.9845000 
1 1 1 -6  9  6  o 79.51000 0.6279000 -0.6661000     1.256000  
1 1 1 -6  9  7  o 56.34000 0.5380000 -0.6495000     1.076000  
1 1 1 -6  9  8  f 57.96000 0.5690000 0.4189000      1.138000  
1 1 1 -6  9  9  o 47.97000 0.5694000 -0.1924000     1.139000  
1 1 1 -6  9  10 o 6.405000 1.884000  1.797000       3.768000  
1 1 1 -6  9  11 o 21.84000 1.033000  -0.7001000     2.065000  
1 1 1 -6  9  12 o 32.16000 0.7993000 0.9734000      1.599000  
1 1 1 -6  9  13 o 47.13000 0.9752000 -0.6774000     1.950000  
1 1 1 -6  9  14 o 44.21000 0.7272000 0.2346000      1.454000  
1 1 1 -6  9  15 o 42.67000 0.7777000 0.4100000      1.555000  
1 1 1 -6  9  16 o 58.10000 0.6973000 0.6559000      1.395000  
1 1 1 -6  9  17 o 11.00000 2.421000  -1.256000      4.841000  
1 1 1 -6  9  18 o 18.64000 1.646000  4.863000       3.291000  
1 1 1 -6  9  19 o 41.37000 0.8492000 0.7362000      1.698000  
1 1 1 -6  9  20 o 33.73000 0.9925000 1.026000       1.985000  
1 1 1 -6  9  21 o 22.21000 1.443000  -0.2087000     2.886000  
1 1 1 -6  9  22 o 11.19000 2.555000  -2.435000      5.109000  
1 1 1 -6  9  23 o 12.74000 2.776000  2.292000       5.552000  
1 1 1 -6  9  24 o 9.264000 2.602000  -4.599000      5.204000  
1 1 1 -6  9  25 o 7.343000 2.391000  0.6363000E-01  4.781000  
1 1 1 -6  9  26 o 5.735000 2.005000  0.8860000E-01  4.009000  
1 1 1 -6  9  27 o 5.908000 2.057000  0.3896000      4.114000  
1 1 1 -6  9  28 o 6.421000 2.235000  -0.9293000     4.470000  
1 1 1 -6  10 1  o 74.34000 0.6014000 -0.2938000     1.203000  
1 1 1 -6  10 2  o 89.78000 0.6838000 0.5514000      1.368000  
1 1 1 -6  10 3  o 100.3000 0.7513000 0.3694000      1.503000  
1 1 1 -6  10 4  o 17.05000 0.9742000 0.7643000      1.948000  
1 1 1 -6  10 5  o 92.34000 0.7050000 0.7193000      1.410000  
1 1 1 -6  10 6  o 113.6000 0.8351000 -0.6508000     1.670000  
1 1 1 -6  10 7  o 10.46000 1.654000  -0.6274000E-01 3.308000  
1 1 1 -6  10 8  o 30.63000 0.6516000 -0.4154000     1.303000  
1 1 1 -6  10 9  o 65.56000 0.6059000 -0.6261000     1.212000  
1 1 1 -6  10 10 o 37.37000 0.6804000 2.845000       1.361000  
1 1 1 -6  10 11 o 36.83000 0.7158000 1.621000       1.432000  
1 1 1 -6  10 12 o 36.53000 0.7448000 1.475000       1.490000  
1 1 1 -6  10 13 o 17.33000 1.544000  2.846000       3.089000  
1 1 1 -6  10 14 o 33.79000 0.8448000 0.5073000      1.690000  
1 1 1 -6  10 15 o 18.40000 1.520000  1.449000       3.039000  
1 1 1 -6  10 16 o 15.12000 1.865000  -0.3205000     3.730000  
1 1 1 -6  10 17 o 12.26000 2.194000  -3.303000      4.388000  
1 1 1 -6  10 18 o 19.91000 1.457000  -1.571000      2.915000  
1 1 1 -6  10 19 o 27.59000 1.080000  -1.088000      2.161000  
1 1 1 -6  10 20 o 14.98000 2.174000  2.167000       4.348000  
1 1 1 -6  10 21 o 13.04000 2.882000  ?              ?         
1 1 1 -6  10 22 o 8.809000 2.501000  -5.474000      5.002000  
1 1 1 -6  10 23 o 14.59000 2.537000  -7.495000      5.073000  
1 1 1 -6  10 24 f 6.737000 2.262000  -1.538000      4.524000  
1 1 1 -6  10 25 o 8.413000 2.589000  0.6309000      5.178000  
1 1 1 -6  10 26 o 6.102000 2.111000  1.039000       4.222000  
1 1 1 -6  10 27 o 5.425000 1.918000  -1.169000      3.836000  
1 1 1 -6  11 1  o 55.34000 0.5655000 1.255000       1.131000  
1 1 1 -6  11 2  o 28.47000 0.7261000 1.788000       1.452000  
1 1 1 -6  11 3  o 20.53000 0.9454000 -3.632000      1.891000  
1 1 1 -6  11 4  o 45.27000 0.5555000 -1.399000      1.111000  
1 1 1 -6  11 5  o 30.28000 0.6817000 0.7344000      1.363000  
1 1 1 -6  11 6  o 28.90000 0.7130000 -1.033000      1.426000  
1 1 1 -6  11 7  o 16.23000 1.217000  -1.023000      2.434000  
1 1 1 -6  11 8  o 10.93000 1.840000  -2.110000      3.680000  
1 1 1 -6  11 9  o 27.82000 0.8032000 -0.9684000     1.606000  
1 1 1 -6  11 10 o 30.28000 0.8173000 0.4226000      1.635000  
1 1 1 -6  11 11 o 29.17000 0.8419000 0.6502000      1.684000  
1 1 1 -6  11 12 o 73.82000 0.8965000 2.292000       1.793000  
1 1 1 -6  11 13 o 55.63000 0.6502000 -0.3318000     1.300000  
1 1 1 -6  11 14 o 21.09000 1.268000  -0.1724000     2.536000  
1 1 1 -6  11 15 o 31.58000 0.9047000 -0.2285000     1.809000  
1 1 1 -6  11 16 o 35.52000 0.8532000 0.3385000      1.706000  
1 1 1 -6  11 17 o 13.66000 2.005000  6.139000       4.010000  
1 1 1 -6  11 18 o 35.85000 0.8416000 -1.263000      1.683000  
1 1 1 -6  11 19 o 16.91000 1.794000  3.768000       3.589000  
1 1 1 -6  11 20 o 8.468000 2.336000  -4.043000      4.672000  
1 1 1 -6  11 21 o 18.54000 2.144000  -2.808000      4.288000  
1 1 1 -6  11 22 o 8.254000 2.475000  2.309000       4.951000  
1 1 1 -6  11 23 o 13.60000 2.674000  4.314000       5.348000  
1 1 1 -6  11 24 o 10.01000 2.774000  1.055000       5.549000  
1 1 1 -6  11 25 o 6.975000 2.308000  -1.040000      4.616000  
1 1 1 -6  11 26 o 8.428000 2.605000  0.5554000E-01  5.211000  
1 1 1 -6  12 1  o 23.79000 0.9790000 -0.3069000     1.958000  
1 1 1 -6  12 2  o 23.00000 0.9621000 1.225000       1.924000  
1 1 1 -6  12 3  o 80.98000 0.6569000 -0.1575000     1.314000  
1 1 1 -6  12 4  o 11.66000 1.745000  2.193000       3.490000  
1 1 1 -6  12 5  o 41.31000 0.6270000 0.6727000E-01  1.254000  
1 1 1 -6  12 6  o 34.78000 0.6795000 -0.1235000     1.359000  
1 1 1 -6  12 7  o 58.10000 0.5994000 0.5220000      1.199000  
1 1 1 -6  12 8  o 76.79000 0.6607000 -1.334000      1.321000  
1 1 1 -6  12 9  o 50.28000 0.6064000 0.4519000E-01  1.213000  
1 1 1 -6  12 10 o 26.39000 0.8584000 -0.6410000     1.717000  
1 1 1 -6  12 11 o 47.42000 0.6604000 -4.111000      1.321000  
1 1 1 -6  12 12 o 21.59000 1.145000  0.2251000      2.289000  
1 1 1 -6  12 13 o 27.11000 0.9588000 1.480000       1.918000  
1 1 1 -6  12 14 o 11.73000 2.193000  1.234000       4.386000  
1 1 1 -6  12 15 o 24.45000 1.110000  0.1498000      2.220000  
1 1 1 -6  12 16 o 11.72000 2.174000  0.6646000      4.349000  
1 1 1 -6  12 17 o 7.935000 2.198000  2.024000       4.395000  
1 1 1 -6  12 18 o 10.51000 2.352000  2.209000       4.704000  
1 1 1 -6  12 19 o 12.59000 2.208000  -6.672000      4.415000  
1 1 1 -6  12 20 o 8.990000 2.546000  -1.070000      5.092000  
1 1 1 -6  12 21 o 8.778000 2.559000  -0.3844000     5.117000  
1 1 1 -6  12 22 o 9.757000 2.624000  -4.201000      5.248000  
1 1 1 -6  12 23 o 9.297000 2.704000  -0.2199000     5.407000  
1 1 1 -6  12 24 o 7.921000 2.440000  -3.323000      4.880000  
1 1 1 -6  12 25 o 7.219000 2.375000  0.4130000      4.750000  
1 1 1 -6  13 1  o 39.26000 0.6906000 -1.466000      1.381000  
1 1 1 -6  13 2  o 31.65000 0.7784000 0.5108000      1.557000  
1 1 1 -6  13 3  o 16.14000 1.472000  5.338000       2.943000  
1 1 1 -6  13 4  o 13.10000 1.808000  -5.439000      3.617000  
1 1 1 -6  13 5  o 18.56000 1.229000  0.3707000      2.459000  
1 1 1 -6  13 6  o 31.02000 0.7617000 1.172000       1.523000  
1 1 1 -6  13 7  o 6.583000 1.920000  3.143000       3.840000  
1 1 1 -6  13 8  o 27.45000 0.8335000 -0.2131000     1.667000  
1 1 1 -6  13 9  f 26.79000 0.8457000 -0.9670000     1.691000  
1 1 1 -6  13 10 o 10.00000 2.660000  -3.635000      5.321000  
1 1 1 -6  13 11 o 39.02000 0.6639000 -0.2049000     1.328000  
1 1 1 -6  13 12 o 39.64000 0.7123000 0.6414000      1.425000  
1 1 1 -6  13 13 o 26.40000 0.9431000 3.601000       1.886000  
1 1 1 -6  13 14 o 29.70000 0.9080000 2.511000       1.816000  
1 1 1 -6  13 15 o 20.78000 1.288000  -2.572000      2.576000  
1 1 1 -6  13 16 o 14.39000 1.905000  -2.067000      3.810000  
1 1 1 -6  13 17 o 31.07000 0.9305000 -1.440000      1.861000  
1 1 1 -6  13 18 o 32.16000 1.145000  -2.961000      2.290000  
1 1 1 -6  13 19 o 25.69000 1.513000  1.257000       3.027000  
1 1 1 -6  13 20 o 22.97000 1.660000  0.2783000      3.320000  
1 1 1 -6  13 21 o 8.021000 2.449000  -2.104000      4.897000  
1 1 1 -6  13 22 o 13.47000 2.725000  -2.889000      5.449000  
1 1 1 -6  13 23 o 9.805000 2.580000  -5.315000      5.159000  
1 1 1 -6  13 24 o 6.608000 2.219000  -0.9803000     4.438000  
1 1 1 -6  14 1  o 50.24000 0.6193000 -0.7435000     1.239000  
1 1 1 -6  14 2  o 31.82000 0.7800000 -0.3930000     1.560000  
1 1 1 -6  14 3  o 14.60000 2.383000  -3.908000      4.766000  
1 1 1 -6  14 4  o 22.50000 1.665000  -3.792000      3.329000  
1 1 1 -6  14 5  o 23.04000 1.502000  0.7107000      3.004000  
1 1 1 -6  14 6  o 39.60000 1.042000  -2.124000      2.084000  
1 1 1 -6  14 7  o 23.46000 0.9941000 -2.959000      1.988000  
1 1 1 -6  14 8  o 9.525000 2.371000  -9.769000      4.741000  
1 1 1 -6  14 9  o 19.29000 1.165000  -4.395000      2.330000  
1 1 1 -6  14 10 o 5.497000 1.770000  2.154000       3.541000  
1 1 1 -6  14 11 o 9.745000 1.857000  -5.554000      3.714000  
1 1 1 -6  14 12 o 12.02000 1.913000  -0.8792000     3.827000  
1 1 1 -6  14 13 o 16.06000 1.690000  -5.527000      3.379000  
1 1 1 -6  14 14 o 10.76000 2.195000  -2.773000      4.389000  
1 1 1 -6  14 15 o 13.68000 1.943000  5.204000       3.886000  
1 1 1 -6  14 16 o 16.17000 1.917000  -2.118000      3.834000  
1 1 1 -6  14 17 o 8.072000 2.267000  -5.459000      4.534000  
1 1 1 -6  14 18 o 6.237000 2.077000  0.3140000      4.154000  
1 1 1 -6  14 19 o 8.030000 2.295000  4.670000       4.590000  
1 1 1 -6  14 20 o 6.218000 2.074000  0.4355000      4.148000  
1 1 1 -6  14 21 o 8.273000 2.467000  3.010000       4.935000  
1 1 1 -6  14 22 o 6.272000 2.121000  0.2695000      4.242000  
1 1 1 -6  14 23 o 5.687000 1.980000  0.6419000      3.960000  
1 1 1 -6  15 1  o 13.53000 1.774000  -3.274000      3.548000  
1 1 1 -6  15 2  o 15.46000 1.566000  2.006000       3.131000  
1 1 1 -6  15 3  o 5.757000 1.827000  -1.380000      3.655000  
1 1 1 -6  15 4  o 16.27000 1.384000  -2.039000      2.768000  
1 1 1 -6  15 5  o 21.59000 1.114000  -4.293000      2.227000  
1 1 1 -6  15 6  o 18.43000 1.294000  -0.8528000E-01 2.588000  
1 1 1 -6  15 7  o 16.23000 1.417000  -0.5786000     2.833000  
1 1 1 -6  15 8  o 10.00000 2.049000  3.673000       4.098000  
1 1 1 -6  15 9  o 12.17000 1.867000  -5.907000      3.735000  
1 1 1 -6  15 10 o 9.442000 2.044000  -2.299000      4.087000  
1 1 1 -6  15 11 o 21.23000 1.106000  1.186000       2.212000  
1 1 1 -6  15 12 o 16.49000 1.608000  -2.534000      3.216000  
1 1 1 -6  15 13 o 11.14000 2.057000  -2.750000      4.114000  
1 1 1 -6  15 14 o 7.161000 2.121000  1.527000       4.243000  
1 1 1 -6  15 15 o 23.43000 1.500000  -2.927000      3.000000  
1 1 1 -6  15 16 o 21.44000 1.656000  -2.533000      3.312000  
1 1 1 -6  15 17 o 8.309000 2.384000  -4.619000      4.767000  
1 1 1 -6  15 18 o 10.03000 2.617000  0.4416000      5.234000  
1 1 1 -6  15 19 o 6.793000 2.202000  1.182000       4.403000  
1 1 1 -6  15 20 o 5.916000 2.017000  -0.6248000     4.035000  
1 1 1 -6  15 21 o 13.36000 2.579000  4.492000       5.159000  
1 1 1 -6  16 1  o 21.63000 1.224000  -5.874000      2.448000  
1 1 1 -6  16 2  o 17.80000 1.367000  -1.522000      2.734000  
1 1 1 -6  16 3  o 15.32000 1.577000  0.1502000      3.153000  
1 1 1 -6  16 4  o 10.55000 2.064000  1.050000       4.127000  
1 1 1 -6  16 5  o 6.578000 1.979000  2.928000       3.957000  
1 1 1 -6  16 6  o 25.11000 1.004000  -1.968000      2.008000  
1 1 1 -6  16 7  o 11.95000 1.977000  -1.912000      3.954000  
1 1 1 -6  16 8  o 19.81000 1.218000  -0.1968000     2.435000  
1 1 1 -6  16 9  o 15.52000 1.628000  -3.970000      3.256000  
1 1 1 -6  16 10 o 5.912000 1.862000  -1.149000      3.725000  
1 1 1 -6  16 11 o 8.363000 2.176000  0.7540000      4.352000  
1 1 1 -6  16 12 o 7.063000 2.141000  2.533000       4.282000  
1 1 1 -6  16 13 o 8.849000 2.314000  -2.862000      4.628000  
1 1 1 -6  16 14 f 13.92000 2.220000  2.464000       4.440000  
1 1 1 -6  16 15 o 6.814000 2.177000  1.211000       4.353000  
1 1 1 -6  16 16 o 6.152000 2.056000  -1.116000      4.112000  
1 1 1 -6  16 17 o 8.870000 2.481000  -1.654000      4.961000  
1 1 1 -6  16 18 o 7.608000 2.361000  -0.8469000     4.722000  
1 1 1 -6  16 19 o 7.176000 2.285000  0.3049000      4.570000  
1 1 1 -6  16 20 o 6.092000 2.071000  0.2473000      4.143000  
1 1 1 -6  17 1  o 9.147000 2.133000  3.718000       4.265000  
1 1 1 -6  17 2  o 6.736000 2.031000  2.193000       4.062000  
1 1 1 -6  17 3  o 10.87000 2.004000  6.236000       4.009000  
1 1 1 -6  17 4  o 9.677000 2.333000  2.002000       4.666000  
1 1 1 -6  17 5  o 12.44000 2.136000  -0.2929000     4.272000  
1 1 1 -6  17 6  o 11.08000 2.203000  2.163000       4.406000  
1 1 1 -6  17 7  o 14.13000 1.882000  -3.549000      3.765000  
1 1 1 -6  17 8  f 9.925000 2.221000  -2.005000      4.442000  
1 1 1 -6  17 9  o 11.93000 2.196000  -0.5210000     4.393000  
1 1 1 -6  17 10 o 12.79000 2.245000  -2.586000      4.491000  
1 1 1 -6  17 11 o 11.57000 2.248000  -5.454000      4.497000  
1 1 1 -6  17 12 o 8.585000 2.286000  4.156000       4.573000  
1 1 1 -6  17 13 o 7.681000 2.279000  -2.545000      4.559000  
1 1 1 -6  17 14 o 6.119000 2.012000  0.1486000      4.024000  
1 1 1 -6  17 15 o 17.34000 1.913000  1.712000       3.826000  
1 1 1 -6  17 16 f 10.54000 2.398000  5.919000       4.796000  
1 1 1 -6  18 1  o 6.212000 1.965000  2.220000       3.929000  
1 1 1 -6  18 2  o 8.236000 2.152000  -3.252000      4.304000  
1 1 1 -6  18 3  f 5.785000 1.861000  -3.062000      3.722000  
1 1 1 -6  18 4  o 8.590000 2.285000  0.3391000      4.570000  
1 1 1 -6  18 5  o 8.082000 2.291000  -0.8577000     4.581000  
1 1 1 -6  18 6  o 7.048000 2.219000  2.249000       4.437000  
1 1 1 -6  18 7  o 10.17000 2.587000  2.346000       5.174000  
1 1 1 -6  18 8  o 21.37000 1.515000  -3.353000      3.030000  
1 1 1 -6  18 9  o 24.86000 1.303000  -1.476000      2.605000  
1 1 1 -6  18 10 o 15.09000 2.169000  -8.398000      4.338000  
1 1 1 -6  18 11 o 8.625000 2.401000  -2.756000      4.801000  
1 1 1 -6  18 12 o 8.115000 2.420000  -0.8695000     4.839000  
1 1 1 -6  19 1  o 7.136000 2.296000  -2.461000      4.592000  
1 1 1 -6  19 2  o 7.661000 2.401000  -1.141000      4.803000  
1 1 1 -6  19 3  o 6.832000 2.218000  0.5923000E-01  4.437000  
1 1 1 -6  19 4  o 9.213000 2.506000  -3.152000      5.012000  
1 1 1 -6  19 5  o 9.975000 2.610000  -1.870000      5.219000  
1 1 1 -6  19 6  o 6.122000 2.054000  -1.308000      4.109000  
1 1 1 -6  19 7  o 11.24000 2.439000  -6.745000      4.877000  
1 1 1 -6  20 1  o 8.307000 2.551000  -1.907000      5.102000  
1 1 1 -5  0  1  o 124.5000 1.244000  -0.000000      0.000000  
1 1 1 -5  0  2  f 13.87000 0.8223000 -0.000000      0.000000  
1 1 1 -5  0  3  o 24.82000 0.5652000 -0.000000      0.000000  
1 1 1 -5  0  4  o 36.90000 0.5261000 -0.000000      0.000000  
1 1 1 -5  0  5  o 8.232000 2.154000  -0.000000      0.000000  
1 1 1 -5  0  6  o 212.1000 2.110000  0.000000       0.000000  
1 1 1 -5  0  7  o 397.3000 3.949000  -0.000000      0.000000  
1 1 1 -5  0  8  o 51.50000 0.6685000 0.000000       0.000000  
1 1 1 -5  0  10 o 16.82000 1.574000  -0.000000      0.000000  
1 1 1 -5  0  11 o 4.372000 2.769000  -0.000000      0.000000  
1 1 1 -5  0  12 o 106.0000 1.103000  -0.000000      0.000000  
1 1 1 -5  0  13 o 112.2000 1.159000  0.000000       0.000000  
1 1 1 -5  0  14 o 54.26000 0.8234000 -0.000000      0.000000  
1 1 1 -5  0  15 o 93.43000 1.022000  -0.000000      0.000000  
1 1 1 -5  0  16 o 4.964000 3.144000  -0.000000      0.000000  
1 1 1 -5  0  17 o 40.38000 1.078000  -0.000000      0.000000  
1 1 1 -5  0  18 o 47.04000 1.047000  -0.000000      0.000000  
1 1 1 -5  0  19 o 38.72000 1.374000  -0.000000      0.000000  
1 1 1 -5  0  20 o 7.549000 4.326000  -0.000000      0.000000  
1 1 1 -5  0  21 o 15.85000 3.596000  0.000000       0.000000  
1 1 1 -5  0  22 o 7.133000 4.152000  -0.000000      0.000000  
1 1 1 -5  0  23 o 6.495000 3.924000  -0.000000      0.000000  
1 1 1 -5  0  24 o 12.13000 4.286000  -0.000000      0.000000  
1 1 1 -5  0  25 o 11.86000 4.205000  -0.000000      0.000000  
1 1 1 -5  0  26 o 4.735000 3.224000  -0.000000      0.000000  
1 1 1 -5  0  27 o 7.756000 4.147000  -0.000000      0.000000  
1 1 1 -5  0  28 o 5.428000 3.671000  0.000000       0.000000  
1 1 1 -5  1  1  o 98.38000 0.7012000 0.2175000      1.402000  
1 1 1 -5  1  2  o 20.78000 0.4139000 0.9278000E-01  0.8278000 
1 1 1 -5  1  3  o 23.71000 0.3931000 0.9611000      0.7862000 
1 1 1 -5  1  4  o 16.11000 0.5935000 0.5765000      1.187000  
1 1 1 -5  1  5  o 38.21000 0.4063000 0.3483000      0.8126000 
1 1 1 -5  1  6  o 12.36000 1.014000  -1.758000      2.028000  
1 1 1 -5  1  7  o 17.33000 0.7690000 0.7439000      1.538000  
1 1 1 -5  1  8  o 26.18000 0.7359000 -1.181000      1.472000  
1 1 1 -5  1  9  o 13.29000 1.530000  3.918000       3.061000  
1 1 1 -5  1  10 o 67.20000 0.5514000 2.209000       1.103000  
1 1 1 -5  1  11 o 67.28000 0.8106000 ?              ?         
1 1 1 -5  1  12 o 45.76000 0.6180000 0.5275000E-01  1.236000  
1 1 1 -5  1  13 o 85.93000 0.7670000 0.5624000      1.534000  
1 1 1 -5  1  14 o 94.86000 0.8323000 0.5922000      1.665000  
1 1 1 -5  1  15 o 94.88000 0.9039000 0.4055000      1.808000  
1 1 1 -5  1  16 o 32.34000 0.8755000 2.591000       1.751000  
1 1 1 -5  1  17 o 88.46000 0.7286000 -0.5294000     1.457000  
1 1 1 -5  1  18 o 105.5000 0.8223000 -0.3131000     1.645000  
1 1 1 -5  1  19 o 120.3000 0.9122000 -0.3875000     1.824000  
1 1 1 -5  1  20 o 27.39000 1.271000  2.135000       2.543000  
1 1 1 -5  1  21 o 35.19000 1.025000  0.7086000      2.050000  
1 1 1 -5  1  22 o 34.53000 1.016000  0.4611000E-01  2.032000  
1 1 1 -5  1  23 o 35.72000 1.038000  0.6290000E-01  2.077000  
1 1 1 -5  1  24 o 33.55000 1.131000  -1.133000      2.262000  
1 1 1 -5  1  25 o 11.87000 2.389000  6.526000       4.778000  
1 1 1 -5  1  26 o 8.820000 2.477000  1.211000       4.954000  
1 1 1 -5  1  27 o 7.128000 2.220000  1.406000       4.440000  
1 1 1 -5  1  28 o 11.76000 2.904000  -2.482000      5.807000  
1 1 1 -5  2  1  o 210.4000 1.481000  3.795000       2.963000  
1 1 1 -5  2  2  o 47.09000 0.3887000 1.311000       0.7774000 
1 1 1 -5  2  3  o 86.10000 0.6206000 0.8204000      1.241000  
1 1 1 -5  2  4  o 61.84000 0.5946000 1.288000       1.189000  
1 1 1 -5  2  5  f 144.1000 1.019000  1.565000       2.038000  
1 1 1 -5  2  6  o 189.7000 1.543000  -0.9759000     3.085000  
1 1 1 -5  2  7  o 278.6000 2.267000  -3.121000      4.533000  
1 1 1 -5  2  8  o 176.0000 1.523000  -2.096000      3.046000  
1 1 1 -5  2  9  o 51.51000 0.5021000 0.9010000E-01  1.004000  
1 1 1 -5  2  10 o 136.4000 0.9772000 3.177000       1.954000  
1 1 1 -5  2  11 o 37.27000 0.7110000 ?              ?         
1 1 1 -5  2  12 f 209.9000 1.714000  1.335000       3.428000  
1 1 1 -5  2  13 o 254.9000 2.083000  -1.181000      4.167000  
1 1 1 -5  2  14 o 63.15000 0.7112000 0.4929000      1.422000  
1 1 1 -5  2  15 o 30.61000 1.020000  0.6413000      2.041000  
1 1 1 -5  2  16 o 15.98000 1.888000  -5.121000      3.776000  
1 1 1 -5  2  17 o 19.98000 1.696000  1.846000       3.392000  
1 1 1 -5  2  18 o 11.00000 2.338000  5.155000       4.675000  
1 1 1 -5  2  19 o 35.36000 1.010000  0.4599000      2.021000  
1 1 1 -5  2  20 o 12.40000 2.674000  -0.3266000     5.348000  
1 1 1 -5  2  21 o 9.000000 2.544000  -1.723000      5.088000  
1 1 1 -5  2  22 o 17.67000 2.044000  2.230000       4.087000  
1 1 1 -5  2  23 o 17.45000 2.000000  -4.104000      4.000000  
1 1 1 -5  2  24 o 12.21000 2.568000  1.133000       5.135000  
1 1 1 -5  2  25 o 9.703000 2.593000  -0.5032000E-01 5.186000  
1 1 1 -5  2  26 o 6.896000 2.216000  -0.3379000     4.432000  
1 1 1 -5  2  27 o 6.431000 2.131000  0.1741000      4.262000  
1 1 1 -5  2  28 o 7.227000 2.395000  -0.6298000     4.790000  
1 1 1 -5  3  1  o 128.7000 1.118000  -0.7793000     2.236000  
1 1 1 -5  3  2  o 59.32000 0.5744000 -0.2248000     1.149000  
1 1 1 -5  3  3  o 47.22000 0.5092000 1.206000       1.018000  
1 1 1 -5  3  4  o 80.22000 0.7255000 -2.107000      1.451000  
1 1 1 -5  3  5  o 51.83000 0.5320000 -0.6575000E-01 1.064000  
1 1 1 -5  3  6  f 20.25000 1.035000  0.6740000      2.070000  
1 1 1 -5  3  7  o 24.78000 0.5309000 -1.718000      1.062000  
1 1 1 -5  3  8  f 66.27000 0.5360000 0.5477000      1.072000  
1 1 1 -5  3  9  o 38.30000 0.5260000 -0.7814000     1.052000  
1 1 1 -5  3  10 o 27.16000 0.6989000 -2.328000      1.398000  
1 1 1 -5  3  11 o 87.10000 0.6709000 -1.702000      1.342000  
1 1 1 -5  3  12 o 77.67000 0.7390000 ?              ?         
1 1 1 -5  3  13 o 133.4000 1.111000  -0.7984000     2.222000  
1 1 1 -5  3  14 o 121.9000 1.026000  1.005000       2.051000  
1 1 1 -5  3  15 o 63.81000 0.6970000 0.3558000E-01  1.394000  
1 1 1 -5  3  16 o 21.59000 1.441000  0.9415000      2.882000  
1 1 1 -5  3  17 o 70.07000 0.7763000 1.179000       1.553000  
1 1 1 -5  3  18 o 139.2000 1.177000  1.283000       2.355000  
1 1 1 -5  3  19 o 26.67000 1.407000  -1.385000      2.813000  
1 1 1 -5  3  20 o 35.10000 1.194000  1.545000       2.388000  
1 1 1 -5  3  21 o 30.98000 1.195000  -1.686000      2.391000  
1 1 1 -5  3  22 o 47.28000 0.8562000 -1.324000      1.712000  
1 1 1 -5  3  23 o 24.30000 1.493000  -0.4840000     2.986000  
1 1 1 -5  3  24 o 17.54000 1.964000  0.6873000E-01  3.927000  
1 1 1 -5  3  25 o 15.80000 2.258000  -1.725000      4.516000  
1 1 1 -5  3  26 o 21.09000 1.569000  3.597000       3.137000  
1 1 1 -5  3  27 o 8.579000 2.634000  -2.233000      5.267000  
1 1 1 -5  3  28 o 10.06000 2.719000  -4.926000      5.439000  
1 1 1 -5  3  29 o 7.473000 3.479000  ?              ?         
1 1 1 -5  4  1  o 93.01000 0.9617000 -1.749000      1.923000  
1 1 1 -5  4  2  o 65.14000 0.6317000 0.5103000      1.263000  
1 1 1 -5  4  3  o 95.53000 1.397000  ?              ?         
1 1 1 -5  4  4  o 145.9000 1.202000  -1.583000      2.403000  
1 1 1 -5  4  5  o 103.8000 0.8652000 -1.361000      1.730000  
1 1 1 -5  4  6  o 105.5000 0.7597000 2.174000       1.519000  
1 1 1 -5  4  7  o 175.6000 1.243000  -3.688000      2.485000  
1 1 1 -5  4  8  o 86.46000 0.6530000 -1.056000      1.306000  
1 1 1 -5  4  9  o 152.4000 1.085000  0.1448000      2.169000  
1 1 1 -5  4  10 o 112.5000 0.8219000 1.468000       1.644000  
1 1 1 -5  4  11 o 69.81000 0.5944000 -1.319000      1.189000  
1 1 1 -5  4  12 f 98.16000 0.9289000 0.7960000      1.858000  
1 1 1 -5  4  13 o 77.52000 0.7726000 -0.6361000     1.545000  
1 1 1 -5  4  14 f 86.75000 0.7866000 -0.9824000     1.573000  
1 1 1 -5  4  15 o 69.44000 0.7276000 -1.409000      1.455000  
1 1 1 -5  4  16 o 41.63000 0.8449000 -0.2935000     1.690000  
1 1 1 -5  4  17 o 46.94000 0.8303000 0.4114000      1.661000  
1 1 1 -5  4  18 o 51.91000 0.8256000 3.934000       1.651000  
1 1 1 -5  4  19 o 19.49000 1.976000  2.710000       3.951000  
1 1 1 -5  4  20 o 11.33000 2.712000  -0.1335000     5.425000  
1 1 1 -5  4  21 o 29.91000 1.265000  1.649000       2.530000  
1 1 1 -5  4  22 o 10.38000 2.664000  0.8801000      5.328000  
1 1 1 -5  4  23 o 15.22000 2.423000  2.851000       4.846000  
1 1 1 -5  4  24 o 11.44000 2.569000  2.664000       5.137000  
1 1 1 -5  4  25 o 12.97000 2.689000  2.896000       5.378000  
1 1 1 -5  4  26 o 10.59000 2.488000  3.658000       4.977000  
1 1 1 -5  4  28 o 7.650000 2.478000  -0.4868000     4.957000  
1 1 1 -5  4  29 o 8.522000 3.773000  ?              ?         
1 1 1 -5  5  1  o 63.39000 0.7472000 0.2969000      1.494000  
1 1 1 -5  5  2  o 26.09000 0.7112000 3.237000       1.422000  
1 1 1 -5  5  3  o 30.67000 0.8435000 0.8501000      1.687000  
1 1 1 -5  5  4  o 35.19000 0.3839000 1.282000       0.7678000 
1 1 1 -5  5  5  o 20.13000 0.4658000 -0.7083000     0.9317000 
1 1 1 -5  5  6  o 28.08000 0.4635000 0.2022000      0.9270000 
1 1 1 -5  5  7  o 81.28000 0.6190000 -0.6839000     1.238000  
1 1 1 -5  5  8  o 54.32000 0.5081000 -1.534000      1.016000  
1 1 1 -5  5  9  o 41.18000 0.5294000 -1.836000      1.059000  
1 1 1 -5  5  10 o 34.89000 0.6008000 0.5325000      1.202000  
1 1 1 -5  5  11 o 59.26000 0.5728000 0.5757000      1.146000  
1 1 1 -5  5  12 o 52.59000 0.5825000 0.7522000      1.165000  
1 1 1 -5  5  13 o 92.64000 0.7247000 0.1994000      1.449000  
1 1 1 -5  5  14 o 71.91000 0.7127000 2.173000       1.425000  
1 1 1 -5  5  15 o 50.87000 0.7290000 -1.618000      1.458000  
1 1 1 -5  5  16 o 71.79000 0.7672000 -2.113000      1.534000  
1 1 1 -5  5  17 o 69.35000 0.7817000 0.4165000      1.563000  
1 1 1 -5  5  18 o 45.59000 0.9248000 1.543000       1.850000  
1 1 1 -5  5  19 o 14.74000 2.522000  -0.7910000     5.044000  
1 1 1 -5  5  20 o 38.08000 1.018000  -1.347000      2.036000  
1 1 1 -5  5  21 o 77.74000 0.8268000 -0.3858000     1.654000  
1 1 1 -5  5  22 o 53.24000 0.8605000 -1.380000      1.721000  
1 1 1 -5  5  23 o 31.18000 1.299000  1.687000       2.598000  
1 1 1 -5  5  24 o 27.95000 1.403000  -1.534000      2.806000  
1 1 1 -5  5  25 o 19.48000 1.804000  0.5444000      3.607000  
1 1 1 -5  5  26 o 15.99000 2.721000  -1.107000      5.442000  
1 1 1 -5  5  27 o 9.592000 2.793000  1.027000       5.587000  
1 1 1 -5  5  28 o 6.681000 2.246000  -1.317000      4.493000  
1 1 1 -5  5  29 o 8.001000 2.596000  1.135000       5.193000  
1 1 1 -5  6  1  o 211.2000 1.714000  5.423000       3.428000  
1 1 1 -5  6  2  o 110.6000 0.9848000 1.108000       1.970000  
1 1 1 -5  6  3  o 41.34000 0.4133000 0.9431000      0.8266000 
1 1 1 -5  6  4  f 226.6000 1.625000  3.575000       3.250000  
1 1 1 -5  6  5  o 79.81000 0.6075000 0.6946000      1.215000  
1 1 1 -5  6  6  o 119.2000 0.8599000 1.190000       1.720000  
1 1 1 -5  6  7  o 336.4000 2.376000  -0.3071000     4.753000  
1 1 1 -5  6  8  o 107.5000 0.7865000 0.8529000      1.573000  
1 1 1 -5  6  9  o 94.35000 0.7109000 1.074000       1.422000  
1 1 1 -5  6  10 o 92.72000 0.7061000 -0.1924000     1.412000  
1 1 1 -5  6  11 o 96.23000 0.7326000 0.4906000      1.465000  
1 1 1 -5  6  12 o 51.29000 0.5933000 0.4459000E-02  1.187000  
1 1 1 -5  6  13 o 21.07000 1.112000  -3.689000      2.224000  
1 1 1 -5  6  14 o 56.28000 0.6334000 -1.446000      1.267000  
1 1 1 -5  6  15 o 62.54000 0.7152000 0.3700000      1.430000  
1 1 1 -5  6  16 o 43.91000 0.8213000 1.022000       1.643000  
1 1 1 -5  6  17 o 18.25000 1.884000  -1.057000      3.769000  
1 1 1 -5  6  18 o 26.34000 1.380000  0.1710000      2.760000  
1 1 1 -5  6  19 o 26.28000 1.402000  -1.393000      2.803000  
1 1 1 -5  6  20 f 12.33000 2.591000  -2.558000      5.182000  
1 1 1 -5  6  21 o 6.784000 2.166000  1.127000       4.333000  
1 1 1 -5  6  22 o 19.41000 1.904000  3.030000       3.807000  
1 1 1 -5  6  23 o 9.234000 2.335000  4.469000       4.671000  
1 1 1 -5  6  24 o 12.52000 2.524000  2.944000       5.049000  
1 1 1 -5  6  25 o 9.063000 2.580000  -5.321000      5.160000  
1 1 1 -5  6  26 o 10.17000 2.794000  1.790000       5.587000  
1 1 1 -5  6  27 o 8.827000 2.676000  1.918000       5.352000  
1 1 1 -5  6  28 o 7.886000 2.482000  2.729000       4.965000  
1 1 1 -5  6  29 o 5.914000 2.070000  1.116000       4.141000  
1 1 1 -5  7  1  o 90.90000 0.7817000 -0.3040000     1.563000  
1 1 1 -5  7  2  o 16.31000 0.7063000 0.5932000E-01  1.413000  
1 1 1 -5  7  3  o 53.19000 0.6559000 -0.4440000E-02 1.312000  
1 1 1 -5  7  4  o 104.5000 0.7617000 -0.4302000     1.523000  
1 1 1 -5  7  5  o 97.00000 0.7144000 0.5340000E-01  1.429000  
1 1 1 -5  7  6  f 19.18000 0.6933000 -0.3248000     1.387000  
1 1 1 -5  7  7  o 55.41000 0.5132000 -0.2655000     1.026000  
1 1 1 -5  7  8  o 20.24000 0.8152000 -1.284000      1.630000  
1 1 1 -5  7  9  o 41.45000 0.5441000 -0.2283000     1.088000  
1 1 1 -5  7  10 o 23.91000 0.8139000 1.939000       1.628000  
1 1 1 -5  7  11 o 72.63000 0.6189000 -1.252000      1.238000  
1 1 1 -5  7  12 o 30.45000 0.7748000 0.9709000      1.550000  
1 1 1 -5  7  13 o 28.43000 0.9042000 2.735000       1.808000  
1 1 1 -5  7  14 o 28.76000 0.9429000 0.6925000      1.886000  
1 1 1 -5  7  15 o 23.31000 1.291000  -5.779000      2.582000  
1 1 1 -5  7  16 o 60.75000 0.7555000 -1.201000      1.511000  
1 1 1 -5  7  17 o 45.31000 0.8470000 0.5221000      1.694000  
1 1 1 -5  7  18 o 42.85000 0.9213000 1.551000       1.843000  
1 1 1 -5  7  19 o 21.94000 1.573000  -0.8855000     3.146000  
1 1 1 -5  7  20 f 26.61000 1.394000  3.925000       2.788000  
1 1 1 -5  7  21 o 31.87000 1.167000  -0.6298000E-01 2.334000  
1 1 1 -5  7  22 o 19.65000 1.799000  0.5861000      3.597000  
1 1 1 -5  7  23 o 22.89000 1.526000  -4.500000      3.052000  
1 1 1 -5  7  24 o 25.08000 1.396000  -1.862000      2.791000  
1 1 1 -5  7  25 o 8.549000 2.620000  0.9115000      5.240000  
1 1 1 -5  7  26 o 17.64000 2.387000  2.420000       4.775000  
1 1 1 -5  7  27 o 8.025000 2.496000  -2.337000      4.991000  
1 1 1 -5  7  28 o 6.719000 2.253000  -2.531000      4.507000  
1 1 1 -5  7  29 o 7.330000 2.418000  3.484000       4.837000  
1 1 1 -5  8  1  o 77.10000 0.5968000 -0.2378000     1.194000  
1 1 1 -5  8  2  o 126.6000 0.9089000 -0.4781000E-01 1.818000  
1 1 1 -5  8  3  o 77.60000 0.5977000 -0.9016000     1.195000  
1 1 1 -5  8  4  o 154.8000 1.102000  0.5849000      2.204000  
1 1 1 -5  8  5  f 77.71000 0.6046000 1.801000       1.209000  
1 1 1 -5  8  6  o 76.69000 0.6048000 2.862000       1.210000  
1 1 1 -5  8  7  o 108.4000 0.7952000 0.9842000      1.590000  
1 1 1 -5  8  8  o 51.21000 0.5349000 0.8016000      1.070000  
1 1 1 -5  8  9  o 92.14000 0.7052000 -0.7288000     1.410000  
1 1 1 -5  8  10 o 135.9000 0.9829000 0.5299000      1.966000  
1 1 1 -5  8  11 o 58.37000 0.5996000 -0.4214000     1.199000  
1 1 1 -5  8  12 o 23.77000 1.043000  -3.620000      2.086000  
1 1 1 -5  8  13 o 40.82000 0.7077000 2.530000       1.415000  
1 1 1 -5  8  14 o 8.707000 2.302000  0.9520000      4.605000  
1 1 1 -5  8  15 o 13.49000 2.217000  2.439000       4.434000  
1 1 1 -5  8  16 o 13.75000 2.742000  3.239000       5.484000  
1 1 1 -5  8  17 o 14.37000 2.244000  5.718000       4.488000  
1 1 1 -5  8  18 o 8.879000 2.486000  -1.575000      4.972000  
1 1 1 -5  8  19 o 10.24000 2.415000  3.236000       4.830000  
1 1 1 -5  8  20 o 13.61000 2.330000  -0.2304000     4.660000  
1 1 1 -5  8  21 o 19.20000 1.911000  0.4130000      3.822000  
1 1 1 -5  8  22 o 13.24000 2.479000  -0.1736000     4.958000  
1 1 1 -5  8  23 o 9.332000 2.481000  -5.583000      4.963000  
1 1 1 -5  8  24 o 9.234000 2.713000  -0.9914000     5.426000  
1 1 1 -5  8  25 o 11.21000 2.861000  0.2746000      5.723000  
1 1 1 -5  8  26 o 7.130000 2.355000  1.027000       4.710000  
1 1 1 -5  8  27 o 7.566000 2.460000  -0.9101000     4.919000  
1 1 1 -5  8  28 o 5.831000 2.029000  0.9250000      4.058000  
1 1 1 -5  9  1  o 61.75000 0.5348000 0.2799000      1.070000  
1 1 1 -5  9  2  o 40.50000 0.5088000 1.247000       1.018000  
1 1 1 -5  9  3  o 24.46000 0.6193000 0.4742000      1.239000  
1 1 1 -5  9  4  o 41.01000 0.5057000 1.045000       1.011000  
1 1 1 -5  9  5  o 33.27000 0.5496000 -0.9184000     1.099000  
1 1 1 -5  9  6  o 50.11000 0.5138000 -1.256000      1.028000  
1 1 1 -5  9  7  o 18.44000 0.9125000 -0.5188000     1.825000  
1 1 1 -5  9  8  o 44.67000 0.5576000 -1.444000      1.115000  
1 1 1 -5  9  9  o 55.87000 0.5677000 -1.786000      1.135000  
1 1 1 -5  9  10 o 50.82000 0.5838000 0.4139000E-01  1.168000  
1 1 1 -5  9  11 o 33.04000 0.7359000 -1.882000      1.472000  
1 1 1 -5  9  12 f 33.26000 1.225000  2.935000       2.449000  
1 1 1 -5  9  13 o 26.35000 1.036000  -3.758000      2.071000  
1 1 1 -5  9  14 o 25.41000 1.131000  -1.376000      2.263000  
1 1 1 -5  9  15 o 7.945000 2.273000  -1.564000      4.545000  
1 1 1 -5  9  16 o 20.59000 1.525000  0.6612000      3.050000  
1 1 1 -5  9  17 o 7.875000 2.311000  -0.2079000     4.623000  
1 1 1 -5  9  18 o 8.944000 2.448000  0.2859000      4.895000  
1 1 1 -5  9  19 o 37.31000 0.9478000 -0.1469000E-01 1.896000  
1 1 1 -5  9  20 o 28.76000 1.202000  2.591000       2.403000  
1 1 1 -5  9  21 o 14.79000 2.196000  3.611000       4.393000  
1 1 1 -5  9  22 o 23.51000 1.420000  -3.098000      2.840000  
1 1 1 -5  9  23 o 14.42000 2.502000  8.119000       5.005000  
1 1 1 -5  9  24 o 13.66000 2.614000  -2.350000      5.228000  
1 1 1 -5  9  25 f 7.550000 2.399000  -0.3743000     4.799000  
1 1 1 -5  9  26 o 8.884000 2.688000  -1.506000      5.375000  
1 1 1 -5  9  27 o 6.087000 2.112000  -0.1949000     4.225000  
1 1 1 -5  9  28 o 6.966000 2.321000  -2.357000      4.642000  
1 1 1 -5  10 1  o 30.72000 0.6555000 -0.7006000     1.311000  
1 1 1 -5  10 2  o 40.26000 0.5394000 1.086000       1.079000  
1 1 1 -5  10 3  f 118.9000 0.8643000 2.886000       1.729000  
1 1 1 -5  10 4  o 105.5000 0.7808000 -0.4517000     1.562000  
1 1 1 -5  10 5  o 47.44000 0.5474000 0.3855000      1.095000  
1 1 1 -5  10 6  o 22.84000 0.8128000 -0.3315000     1.626000  
1 1 1 -5  10 7  o 12.68000 1.464000  0.8375000      2.928000  
1 1 1 -5  10 8  o 17.10000 1.095000  2.276000       2.190000  
1 1 1 -5  10 9  o 28.37000 0.7786000 -0.8233000E-01 1.557000  
1 1 1 -5  10 10 o 22.82000 0.9850000 -0.7587000     1.970000  
1 1 1 -5  10 11 o 77.74000 0.8883000 -1.567000      1.777000  
1 1 1 -5  10 12 o 72.11000 0.6592000 2.741000       1.318000  
1 1 1 -5  10 13 o 76.94000 0.6859000 0.4470000      1.372000  
1 1 1 -5  10 14 o 49.15000 0.7187000 -0.8062000E-01 1.437000  
1 1 1 -5  10 15 o 42.34000 0.7865000 2.291000       1.573000  
1 1 1 -5  10 16 o 31.72000 0.9939000 1.925000       1.988000  
1 1 1 -5  10 17 o 10.79000 2.164000  -6.284000      4.328000  
1 1 1 -5  10 18 o 14.02000 2.163000  1.592000       4.326000  
1 1 1 -5  10 19 o 11.32000 2.419000  1.027000       4.839000  
1 1 1 -5  10 20 o 14.27000 2.222000  3.517000       4.444000  
1 1 1 -5  10 21 f 6.955000 2.138000  2.027000       4.276000  
1 1 1 -5  10 22 o 9.254000 2.629000  -4.037000      5.258000  
1 1 1 -5  10 23 o 7.572000 2.423000  -0.7356000     4.845000  
1 1 1 -5  10 24 o 7.771000 2.452000  1.130000       4.903000  
1 1 1 -5  10 25 o 8.538000 2.609000  -3.003000      5.219000  
1 1 1 -5  10 26 o 7.473000 2.406000  -1.372000      4.811000  
1 1 1 -5  10 27 f 7.070000 2.364000  1.856000       4.728000  
1 1 1 -5  11 1  o 29.53000 0.7470000 -0.1776000     1.494000  
1 1 1 -5  11 2  o 43.80000 0.5740000 1.097000       1.148000  
1 1 1 -5  11 3  o 38.61000 0.5787000 1.452000       1.157000  
1 1 1 -5  11 4  o 20.15000 0.9549000 -0.4821000     1.910000  
1 1 1 -5  11 5  o 39.54000 0.6021000 -0.4448000     1.204000  
1 1 1 -5  11 6  o 64.65000 0.5864000 -0.1022000     1.173000  
1 1 1 -5  11 7  o 16.63000 1.193000  1.289000       2.386000  
1 1 1 -5  11 8  o 39.69000 0.6174000 -0.6577000E-01 1.235000  
1 1 1 -5  11 9  o 39.78000 0.6344000 0.4642000      1.269000  
1 1 1 -5  11 10 o 57.25000 0.8873000 -1.950000      1.775000  
1 1 1 -5  11 11 o 34.08000 0.8088000 -1.985000      1.618000  
1 1 1 -5  11 12 o 38.45000 0.7652000 0.1112000      1.530000  
1 1 1 -5  11 13 o 13.51000 1.961000  4.151000       3.923000  
1 1 1 -5  11 14 o 16.43000 1.747000  -1.942000      3.495000  
1 1 1 -5  11 15 o 7.981000 2.232000  -1.677000      4.464000  
1 1 1 -5  11 16 o 47.80000 0.7191000 -1.290000      1.438000  
1 1 1 -5  11 17 o 33.97000 0.9079000 -0.8930000     1.816000  
1 1 1 -5  11 18 o 7.222000 2.178000  -0.1450000     4.357000  
1 1 1 -5  11 19 o 10.38000 2.415000  -2.441000      4.831000  
1 1 1 -5  11 20 o 19.17000 1.881000  5.200000       3.761000  
1 1 1 -5  11 21 o 14.51000 2.582000  -2.549000      5.165000  
1 1 1 -5  11 22 o 9.358000 2.631000  -3.151000      5.261000  
1 1 1 -5  11 23 f 12.92000 2.744000  -5.485000      5.487000  
1 1 1 -5  11 24 o 12.02000 2.715000  -6.307000      5.429000  
1 1 1 -5  11 25 o 12.01000 2.784000  -5.190000      5.568000  
1 1 1 -5  11 26 o 6.721000 2.280000  -0.4274000     4.560000  
1 1 1 -5  12 1  o 69.48000 0.7216000 -1.300000      1.443000  
1 1 1 -5  12 2  o 68.37000 0.6128000 -1.012000      1.226000  
1 1 1 -5  12 3  o 94.21000 0.7282000 2.820000       1.456000  
1 1 1 -5  12 4  o 29.31000 0.7442000 0.2901000      1.488000  
1 1 1 -5  12 5  o 41.74000 0.6189000 0.3583000      1.238000  
1 1 1 -5  12 6  o 59.53000 0.5990000 0.3059000      1.198000  
1 1 1 -5  12 7  o 44.79000 0.6704000 -1.743000      1.341000  
1 1 1 -5  12 8  o 66.13000 0.6206000 1.757000       1.241000  
1 1 1 -5  12 9  o 48.21000 0.6275000 -1.435000      1.255000  
1 1 1 -5  12 10 o 51.45000 0.6257000 -1.239000      1.251000  
1 1 1 -5  12 11 o 24.62000 1.074000  -3.233000      2.148000  
1 1 1 -5  12 12 o 47.99000 0.6706000 1.510000       1.341000  
1 1 1 -5  12 13 f 35.41000 0.8223000 0.9328000      1.645000  
1 1 1 -5  12 14 o 19.83000 1.349000  2.774000       2.698000  
1 1 1 -5  12 15 o 7.325000 2.111000  -2.544000      4.222000  
1 1 1 -5  12 16 o 9.559000 2.199000  -4.306000      4.398000  
1 1 1 -5  12 17 o 16.03000 1.887000  -6.045000      3.773000  
1 1 1 -5  12 18 o 16.79000 1.788000  -3.129000      3.576000  
1 1 1 -5  12 19 o 8.157000 2.230000  3.222000       4.460000  
1 1 1 -5  12 20 o 24.38000 1.584000  3.034000       3.168000  
1 1 1 -5  12 21 o 8.455000 2.558000  -0.2322000     5.115000  
1 1 1 -5  12 22 o 8.944000 2.627000  -0.3126000     5.253000  
1 1 1 -5  12 23 o 11.99000 2.807000  1.754000       5.614000  
1 1 1 -5  12 24 o 10.42000 2.531000  -7.967000      5.062000  
1 1 1 -5  12 25 o 6.295000 2.163000  0.5612000      4.327000  
1 1 1 -5  13 1  o 37.41000 0.8382000 -1.721000      1.676000  
1 1 1 -5  13 2  o 67.22000 0.7845000 -0.7947000     1.569000  
1 1 1 -5  13 3  o 64.39000 0.8198000 -1.817000      1.640000  
1 1 1 -5  13 4  o 53.19000 0.8279000 -1.009000      1.656000  
1 1 1 -5  13 5  o 32.94000 1.199000  -0.8864000     2.398000  
1 1 1 -5  13 6  o 27.80000 1.411000  0.6459000      2.822000  
1 1 1 -5  13 7  o 45.41000 0.9312000 -1.689000      1.862000  
1 1 1 -5  13 8  o 26.42000 0.8948000 3.349000       1.790000  
1 1 1 -5  13 9  o 12.70000 1.827000  -5.126000      3.654000  
1 1 1 -5  13 10 o 11.50000 2.021000  -1.261000      4.041000  
1 1 1 -5  13 11 o 16.58000 1.503000  -0.7343000     3.006000  
1 1 1 -5  13 12 o 7.372000 2.125000  -0.5112000     4.250000  
1 1 1 -5  13 13 o 11.80000 1.946000  8.632000       3.893000  
1 1 1 -5  13 14 o 11.26000 1.947000  -7.902000      3.894000  
1 1 1 -5  13 15 o 9.134000 2.210000  -3.225000      4.420000  
1 1 1 -5  13 16 o 5.983000 1.930000  -1.586000      3.860000  
1 1 1 -5  13 17 o 5.359000 1.799000  2.198000       3.598000  
1 1 1 -5  13 18 o 22.91000 1.291000  -0.2885000     2.582000  
1 1 1 -5  13 19 o 19.89000 1.922000  -3.218000      3.844000  
1 1 1 -5  13 20 o 12.49000 2.795000  -3.098000      5.591000  
1 1 1 -5  13 21 o 9.724000 2.721000  2.012000       5.442000  
1 1 1 -5  13 22 o 7.924000 2.438000  -3.678000      4.875000  
1 1 1 -5  13 23 o 7.407000 2.391000  0.2043000E-02  4.782000  
1 1 1 -5  13 24 o 8.481000 2.604000  0.5969000E-01  5.208000  
1 1 1 -5  14 1  o 38.99000 0.7165000 -2.212000      1.433000  
1 1 1 -5  14 2  o 19.78000 1.193000  -0.1397000     2.385000  
1 1 1 -5  14 3  o 11.64000 1.987000  2.005000       3.975000  
1 1 1 -5  14 4  o 12.17000 1.863000  3.048000       3.726000  
1 1 1 -5  14 5  o 20.95000 1.164000  1.372000       2.327000  
1 1 1 -5  14 6  o 47.47000 0.6357000 -0.2701000     1.271000  
1 1 1 -5  14 7  o 73.74000 0.6524000 -2.514000      1.305000  
1 1 1 -5  14 8  o 11.13000 2.077000  1.136000       4.154000  
1 1 1 -5  14 9  o 19.06000 1.269000  1.038000       2.539000  
1 1 1 -5  14 10 o 18.76000 1.342000  -2.372000      2.684000  
1 1 1 -5  14 11 o 11.19000 1.988000  6.177000       3.976000  
1 1 1 -5  14 12 o 13.05000 1.904000  -0.4983000     3.809000  
1 1 1 -5  14 13 o 19.62000 1.318000  2.584000       2.637000  
1 1 1 -5  14 14 o 9.466000 2.256000  1.109000       4.511000  
1 1 1 -5  14 15 o 8.165000 2.218000  -1.968000      4.436000  
1 1 1 -5  14 16 o 13.35000 2.125000  2.572000       4.250000  
1 1 1 -5  14 17 o 14.30000 2.289000  2.130000       4.578000  
1 1 1 -5  14 18 o 16.20000 2.398000  -2.841000      4.797000  
1 1 1 -5  14 19 o 9.931000 2.616000  1.064000       5.232000  
1 1 1 -5  14 20 o 12.07000 2.441000  -8.252000      4.882000  
1 1 1 -5  14 21 o 11.02000 2.760000  1.521000       5.520000  
1 1 1 -5  14 22 o 7.761000 2.431000  1.639000       4.862000  
1 1 1 -5  14 23 o 7.276000 2.349000  -3.427000      4.699000  
1 1 1 -5  15 1  o 20.31000 1.192000  0.5319000      2.385000  
1 1 1 -5  15 2  o 8.556000 2.082000  -2.765000      4.164000  
1 1 1 -5  15 3  o 9.892000 2.150000  -0.8625000     4.300000  
1 1 1 -5  15 4  o 10.08000 2.047000  2.483000       4.094000  
1 1 1 -5  15 5  f 15.97000 1.579000  0.9070000      3.159000  
1 1 1 -5  15 6  o 10.31000 2.089000  -1.880000      4.178000  
1 1 1 -5  15 7  o 5.847000 1.867000  1.461000       3.735000  
1 1 1 -5  15 8  o 7.317000 2.021000  -1.974000      4.042000  
1 1 1 -5  15 9  o 12.64000 1.885000  5.359000       3.769000  
1 1 1 -5  15 10 o 8.645000 2.025000  -3.075000      4.049000  
1 1 1 -5  15 11 o 20.18000 1.223000  -1.096000      2.446000  
1 1 1 -5  15 12 o 10.32000 2.133000  -1.316000      4.266000  
1 1 1 -5  15 13 o 12.07000 2.047000  0.5609000E-01  4.093000  
1 1 1 -5  15 14 o 10.07000 2.106000  -5.531000      4.213000  
1 1 1 -5  15 15 o 6.998000 2.160000  -0.3032000     4.321000  
1 1 1 -5  15 16 o 8.004000 2.375000  3.010000       4.749000  
1 1 1 -5  15 17 o 11.46000 2.671000  3.052000       5.342000  
1 1 1 -5  15 18 o 22.97000 1.732000  -4.374000      3.464000  
1 1 1 -5  15 19 o 9.590000 2.596000  3.466000       5.192000  
1 1 1 -5  15 20 o 8.101000 2.522000  -0.3256000     5.044000  
1 1 1 -5  15 21 o 5.022000 1.780000  0.9201000      3.560000  
1 1 1 -5  15 22 o 6.528000 2.197000  0.2011000E-01  4.394000  
1 1 1 -5  16 1  o 5.514000 1.799000  -1.019000      3.599000  
1 1 1 -5  16 2  o 14.20000 1.746000  -1.103000      3.492000  
1 1 1 -5  16 3  o 19.53000 1.249000  1.515000       2.498000  
1 1 1 -5  16 4  o 12.50000 2.247000  -1.958000      4.493000  
1 1 1 -5  16 5  o 20.69000 1.250000  1.184000       2.500000  
1 1 1 -5  16 6  o 13.73000 1.855000  -4.439000      3.711000  
1 1 1 -5  16 7  o 36.04000 0.7612000 1.755000       1.522000  
1 1 1 -5  16 8  o 20.51000 1.270000  -1.633000      2.539000  
1 1 1 -5  16 9  o 12.62000 1.983000  3.130000       3.967000  
1 1 1 -5  16 10 o 7.087000 2.096000  2.236000       4.192000  
1 1 1 -5  16 11 o 9.023000 2.176000  -1.371000      4.352000  
1 1 1 -5  16 12 o 5.271000 1.770000  2.175000       3.540000  
1 1 1 -5  16 13 o 12.03000 2.031000  -6.226000      4.061000  
1 1 1 -5  16 14 o 9.641000 2.396000  -4.170000      4.793000  
1 1 1 -5  16 15 o 12.71000 2.522000  4.218000       5.043000  
1 1 1 -5  16 16 o 10.29000 2.488000  -5.800000      4.976000  
1 1 1 -5  16 17 o 9.743000 2.621000  0.9425000      5.243000  
1 1 1 -5  16 18 o 5.386000 1.879000  0.3535000      3.758000  
1 1 1 -5  16 19 o 7.500000 2.359000  2.833000       4.717000  
1 1 1 -5  16 20 o 7.589000 2.414000  -0.9924000E-01 4.828000  
1 1 1 -5  17 1  o 15.24000 1.640000  1.996000       3.280000  
1 1 1 -5  17 2  o 13.23000 1.934000  -1.198000      3.868000  
1 1 1 -5  17 3  o 8.936000 2.170000  -2.167000      4.340000  
1 1 1 -5  17 4  o 6.366000 1.974000  0.2597000      3.948000  
1 1 1 -5  17 5  o 27.04000 0.9637000 1.111000       1.927000  
1 1 1 -5  17 6  o 25.92000 0.9809000 1.924000       1.962000  
1 1 1 -5  17 7  o 12.60000 2.071000  1.318000       4.141000  
1 1 1 -5  17 8  o 18.14000 1.506000  3.881000       3.012000  
1 1 1 -5  17 9  o 8.757000 2.312000  1.332000       4.624000  
1 1 1 -5  17 10 o 9.963000 2.400000  -1.145000      4.800000  
1 1 1 -5  17 11 o 9.472000 2.416000  -1.195000      4.832000  
1 1 1 -5  17 12 o 10.99000 2.384000  -4.283000      4.768000  
1 1 1 -5  17 13 o 10.01000 2.475000  -5.026000      4.949000  
1 1 1 -5  17 14 o 6.894000 2.235000  -0.5493000     4.469000  
1 1 1 -5  17 15 o 7.380000 2.301000  -0.5931000     4.602000  
1 1 1 -5  17 16 o 7.212000 2.294000  0.9349000      4.588000  
1 1 1 -5  17 17 o 7.257000 2.316000  -2.481000      4.632000  
1 1 1 -5  17 18 o 6.675000 2.223000  0.8092000      4.446000  
1 1 1 -5  18 1  o 4.824000 1.663000  0.9112000      3.326000  
1 1 1 -5  18 2  o 14.68000 1.915000  -1.606000      3.829000  
1 1 1 -5  18 3  o 5.432000 1.813000  -0.9048000     3.626000  
1 1 1 -5  18 4  o 20.77000 1.310000  1.884000       2.619000  
1 1 1 -5  18 5  o 12.18000 2.076000  8.156000       4.152000  
1 1 1 -5  18 6  o 10.87000 2.368000  0.7786000      4.736000  
1 1 1 -5  18 7  o 18.48000 1.594000  1.027000       3.189000  
1 1 1 -5  18 8  o 13.05000 2.059000  -7.906000      4.119000  
1 1 1 -5  18 9  o 6.254000 2.046000  0.7419000      4.091000  
1 1 1 -5  18 10 o 9.349000 2.529000  0.8819000      5.059000  
1 1 1 -5  18 12 o 12.41000 2.569000  2.923000       5.138000  
1 1 1 -5  18 13 o 6.319000 2.086000  -1.056000      4.171000  
1 1 1 -5  18 14 o 7.115000 2.236000  1.808000       4.472000  
1 1 1 -5  18 15 o 7.736000 2.358000  -1.963000      4.716000  
1 1 1 -5  18 16 o 7.406000 2.303000  -3.829000      4.605000  
1 1 1 -5  19 1  o 6.847000 2.107000  3.478000       4.214000  
1 1 1 -5  19 2  o 5.731000 1.940000  0.5233000      3.880000  
1 1 1 -5  19 3  o 14.57000 2.083000  5.279000       4.167000  
1 1 1 -5  19 4  o 8.358000 2.328000  2.850000       4.655000  
1 1 1 -5  19 5  o 11.31000 2.624000  1.513000       5.248000  
1 1 1 -5  19 6  o 12.34000 2.724000  -0.4072000     5.448000  
1 1 1 -5  19 7  o 6.100000 2.073000  -0.5275000     4.146000  
1 1 1 -5  19 8  o 5.877000 2.004000  -1.538000      4.008000  
1 1 1 -5  19 9  o 7.435000 2.288000  -4.423000      4.577000  
1 1 1 -5  19 10 o 7.022000 2.260000  -0.9599000     4.521000  
1 1 1 -5  19 11 o 7.012000 2.203000  3.910000       4.406000  
1 1 1 -5  19 12 o 6.589000 2.179000  0.1362000      4.358000  
1 1 1 -5  20 1  o 8.743000 2.608000  -1.417000      5.215000  
1 1 1 -5  20 2  o 6.925000 2.293000  -0.1803000     4.587000  
1 1 1 -5  20 4  f 10.52000 2.607000  5.898000       5.214000  
1 1 1 -5  20 5  o 10.28000 2.461000  -8.130000      4.922000  
1 1 1 -5  20 6  o 8.212000 2.506000  1.462000       5.012000  
1 1 1 -5  21 1  o 7.256000 2.384000  2.869000       4.768000  
1 1 1 -4  0  1  o 128.9000 1.285000  -0.000000      0.000000  
1 1 1 -4  0  2  o 102.5000 1.028000  -0.000000      0.000000  
1 1 1 -4  0  3  o 170.2000 1.692000  -0.000000      0.000000  
1 1 1 -4  0  4  o 20.86000 0.6375000 -0.000000      0.000000  
1 1 1 -4  0  5  o 55.61000 0.6277000 -0.000000      0.000000  
1 1 1 -4  0  6  o 119.3000 1.201000  -0.000000      0.000000  
1 1 1 -4  0  7  o 258.4000 2.570000  -0.000000      0.000000  
1 1 1 -4  0  8  o 77.75000 0.8335000 -0.000000      0.000000  
1 1 1 -4  0  9  o 21.08000 1.003000  -0.000000      0.000000  
1 1 1 -4  0  10 f 146.0000 2.079000  -0.000000      0.000000  
1 1 1 -4  0  11 o 153.4000 1.539000  -0.000000      0.000000  
1 1 1 -4  0  12 o 41.86000 0.8214000 -0.000000      0.000000  
1 1 1 -4  0  13 o 36.12000 0.8912000 -0.000000      0.000000  
1 1 1 -4  0  14 o 195.3000 1.954000  -0.000000      0.000000  
1 1 1 -4  0  15 o 77.92000 0.9166000 -0.000000      0.000000  
1 1 1 -4  0  16 o 28.14000 1.365000  -0.000000      0.000000  
1 1 1 -4  0  17 o 93.91000 1.055000  -0.000000      0.000000  
1 1 1 -4  0  18 o 127.0000 1.333000  -0.000000      0.000000  
1 1 1 -4  0  19 o 54.05000 1.040000  -0.000000      0.000000  
1 1 1 -4  0  20 o 87.53000 1.091000  -0.000000      0.000000  
1 1 1 -4  0  21 o 5.794000 3.748000  -0.000000      0.000000  
1 1 1 -4  0  22 o 4.783000 3.276000  -0.000000      0.000000  
1 1 1 -4  0  23 o 15.50000 3.632000  -0.000000      0.000000  
1 1 1 -4  0  24 o 17.29000 4.940000  -0.000000      0.000000  
1 1 1 -4  0  25 o 4.949000 3.343000  -0.000000      0.000000  
1 1 1 -4  0  26 o 6.158000 3.802000  -0.000000      0.000000  
1 1 1 -4  0  27 o 12.42000 4.263000  -0.000000      0.000000  
1 1 1 -4  1  1  o 143.3000 1.009000  3.115000       2.018000  
1 1 1 -4  1  2  o 178.6000 1.255000  3.121000       2.511000  
1 1 1 -4  1  3  o 198.1000 1.392000  -1.318000      2.784000  
1 1 1 -4  1  4  o 110.8000 0.7865000 -0.4803000     1.573000  
1 1 1 -4  1  5  o 124.0000 0.8793000 -0.8309000     1.759000  
1 1 1 -4  1  6  o 90.82000 0.7652000 1.414000       1.530000  
1 1 1 -4  1  7  o 156.4000 1.273000  -2.276000      2.547000  
1 1 1 -4  1  8  o 78.18000 0.5879000 0.9277000E-01  1.176000  
1 1 1 -4  1  9  o 21.53000 0.8002000 1.383000       1.600000  
1 1 1 -4  1  10 o 13.36000 1.473000  1.257000       2.945000  
1 1 1 -4  1  11 o 5.154000 2.189000  ?              ?         
1 1 1 -4  1  12 o 47.88000 0.5399000 -0.5832000     1.080000  
1 1 1 -4  1  13 o 22.63000 0.9316000 -0.1167000     1.863000  
1 1 1 -4  1  14 o 17.19000 1.346000  4.634000       2.692000  
1 1 1 -4  1  15 o 38.00000 0.6909000 0.8618000      1.382000  
1 1 1 -4  1  16 o 25.86000 1.018000  -0.3003000     2.037000  
1 1 1 -4  1  17 o 59.31000 0.6570000 0.2252000      1.314000  
1 1 1 -4  1  18 f 87.73000 0.7369000 -0.7278000     1.474000  
1 1 1 -4  1  19 o 38.53000 0.9060000 2.908000       1.812000  
1 1 1 -4  1  20 o 76.56000 0.9208000 -0.4342000     1.842000  
1 1 1 -4  1  21 o 42.99000 0.9339000 -0.4743000     1.868000  
1 1 1 -4  1  22 o 8.114000 2.455000  0.1937000      4.910000  
1 1 1 -4  1  23 o 19.32000 1.957000  4.679000       3.914000  
1 1 1 -4  1  24 o 50.02000 0.8174000 0.6512000      1.635000  
1 1 1 -4  1  25 o 19.19000 1.900000  -1.017000      3.800000  
1 1 1 -4  1  26 o 9.644000 2.484000  -4.084000      4.968000  
1 1 1 -4  1  27 o 11.89000 2.839000  1.551000       5.677000  
1 1 1 -4  1  28 o 11.03000 4.048000  ?              ?         
1 1 1 -4  2  1  o 84.09000 0.7450000 1.400000       1.490000  
1 1 1 -4  2  2  o 97.91000 0.8577000 0.5877000      1.715000  
1 1 1 -4  2  3  o 17.89000 0.6418000 -1.660000      1.284000  
1 1 1 -4  2  4  o 90.13000 0.6480000 1.921000       1.296000  
1 1 1 -4  2  5  o 170.2000 1.379000  -3.865000      2.759000  
1 1 1 -4  2  6  o 211.9000 1.491000  2.653000       2.983000  
1 1 1 -4  2  7  o 173.3000 1.222000  0.3878000      2.444000  
1 1 1 -4  2  8  o 75.36000 0.5749000 0.8390000E-01  1.150000  
1 1 1 -4  2  9  o 105.7000 0.9336000 1.221000       1.867000  
1 1 1 -4  2  10 o 20.96000 0.8815000 0.3386000      1.763000  
1 1 1 -4  2  11 o 17.47000 1.414000  6.782000       2.829000  
1 1 1 -4  2  12 o 133.8000 1.114000  -1.825000      2.227000  
1 1 1 -4  2  13 o 82.50000 0.7434000 1.015000       1.487000  
1 1 1 -4  2  14 o 53.76000 0.5934000 1.919000       1.187000  
1 1 1 -4  2  15 o 149.5000 1.076000  0.3119000      2.151000  
1 1 1 -4  2  16 o 69.70000 0.9539000 -1.212000      1.908000  
1 1 1 -4  2  17 o 6.579000 2.097000  -1.404000      4.195000  
1 1 1 -4  2  18 o 24.01000 1.398000  3.021000       2.796000  
1 1 1 -4  2  19 o 32.76000 1.081000  -1.360000      2.163000  
1 1 1 -4  2  20 f 27.84000 1.335000  -3.540000      2.670000  
1 1 1 -4  2  21 o 48.64000 0.8609000 -0.7483000     1.722000  
1 1 1 -4  2  22 o 25.93000 1.384000  -1.361000      2.768000  
1 1 1 -4  2  23 o 8.641000 2.492000  0.5499000      4.983000  
1 1 1 -4  2  24 o 22.10000 1.532000  -2.491000      3.064000  
1 1 1 -4  2  25 o 10.74000 2.538000  2.406000       5.075000  
1 1 1 -4  2  26 o 8.783000 2.366000  -4.342000      4.732000  
1 1 1 -4  2  27 o 7.704000 2.343000  0.9029000E-01  4.686000  
1 1 1 -4  2  28 o 7.774000 2.503000  -0.1868000E-01 5.006000  
1 1 1 -4  3  1  o 104.1000 0.9082000 -2.309000      1.816000  
1 1 1 -4  3  2  o 117.2000 1.031000  -2.193000      2.062000  
1 1 1 -4  3  3  o 75.67000 0.6533000 2.805000       1.307000  
1 1 1 -4  3  4  o 32.96000 0.5060000 -2.640000      1.012000  
1 1 1 -4  3  5  o 187.2000 1.320000  2.579000       2.639000  
1 1 1 -4  3  6  o 70.95000 0.5345000 -0.8327000     1.069000  
1 1 1 -4  3  7  o 77.66000 0.5816000 1.828000       1.163000  
1 1 1 -4  3  8  o 18.20000 0.7233000 0.1460000      1.447000  
1 1 1 -4  3  9  o 61.72000 0.5340000 -1.244000      1.068000  
1 1 1 -4  3  10 o 23.45000 0.7849000 1.671000       1.570000  
1 1 1 -4  3  11 o 35.85000 0.7701000 0.6385000      1.540000  
1 1 1 -4  3  12 o 49.86000 0.6971000 0.5092000      1.394000  
1 1 1 -4  3  13 o 38.32000 0.7311000 -0.3140000     1.462000  
1 1 1 -4  3  14 o 27.10000 1.001000  -1.606000      2.002000  
1 1 1 -4  3  15 o 74.80000 0.7381000 -2.006000      1.476000  
1 1 1 -4  3  16 o 49.12000 0.7597000 -0.2977000     1.519000  
1 1 1 -4  3  17 o 39.62000 0.8013000 -1.199000      1.603000  
1 1 1 -4  3  18 o 43.28000 0.8270000 2.774000       1.654000  
1 1 1 -4  3  19 o 18.14000 1.933000  4.413000       3.866000  
1 1 1 -4  3  20 o 12.07000 2.672000  0.6299000      5.344000  
1 1 1 -4  3  21 o 63.07000 0.7631000 0.8751000      1.526000  
1 1 1 -4  3  22 f 16.26000 2.149000  -3.312000      4.299000  
1 1 1 -4  3  23 o 23.80000 1.467000  3.539000       2.934000  
1 1 1 -4  3  24 o 48.40000 0.8339000 -0.2934000     1.668000  
1 1 1 -4  3  25 o 19.54000 1.778000  -0.7078000     3.555000  
1 1 1 -4  3  26 o 21.48000 1.572000  -0.3874000E-01 3.144000  
1 1 1 -4  3  27 o 7.368000 2.438000  0.8941000E-01  4.877000  
1 1 1 -4  3  28 o 6.374000 2.165000  -1.044000      4.329000  
1 1 1 -4  4  1  o 60.95000 0.5893000 0.1708000      1.179000  
1 1 1 -4  4  2  o 88.31000 0.9147000 -1.917000      1.829000  
1 1 1 -4  4  3  o 15.98000 0.7337000 1.989000       1.467000  
1 1 1 -4  4  4  o 162.0000 1.153000  -0.5338000     2.305000  
1 1 1 -4  4  5  o 177.6000 1.542000  1.828000       3.083000  
1 1 1 -4  4  6  o 93.39000 0.6800000 2.550000       1.360000  
1 1 1 -4  4  7  o 67.67000 0.6775000 3.006000       1.355000  
1 1 1 -4  4  8  o 125.8000 0.9023000 -2.195000      1.805000  
1 1 1 -4  4  9  o 80.15000 0.6232000 0.2898000E-01  1.246000  
1 1 1 -4  4  10 o 153.6000 1.093000  -5.628000      2.186000  
1 1 1 -4  4  11 o 162.7000 1.159000  -0.4458000     2.317000  
1 1 1 -4  4  12 o 175.2000 1.438000  ?              ?         
1 1 1 -4  4  13 o 19.39000 1.307000  2.039000       2.614000  
1 1 1 -4  4  14 o 79.84000 0.7506000 1.788000       1.501000  
1 1 1 -4  4  15 o 43.86000 0.7617000 -2.678000      1.523000  
1 1 1 -4  4  16 o 116.2000 1.010000  -3.117000      2.020000  
1 1 1 -4  4  17 o 109.7000 0.9673000 -0.7407000     1.935000  
1 1 1 -4  4  18 f 85.04000 0.8349000 -2.608000      1.670000  
1 1 1 -4  4  19 o 31.31000 1.183000  -0.5727000     2.365000  
1 1 1 -4  4  20 o 47.74000 0.9975000 3.595000       1.995000  
1 1 1 -4  4  21 o 48.15000 0.8576000 0.5672000      1.715000  
1 1 1 -4  4  22 o 13.68000 2.603000  3.086000       5.206000  
1 1 1 -4  4  23 o 13.76000 2.453000  -2.489000      4.906000  
1 1 1 -4  4  24 o 12.19000 2.564000  -0.1184000     5.128000  
1 1 1 -4  4  25 o 10.93000 2.446000  4.928000       4.891000  
1 1 1 -4  4  26 o 9.634000 2.670000  -2.119000      5.339000  
1 1 1 -4  4  27 o 8.725000 2.680000  0.7116000      5.361000  
1 1 1 -4  4  28 o 6.703000 2.266000  0.3717000      4.533000  
1 1 1 -4  5  1  o 120.6000 1.217000  ?              ?         
1 1 1 -4  5  2  o 66.97000 0.7174000 ?              ?         
1 1 1 -4  5  3  o 76.15000 0.5645000 -2.188000      1.129000  
1 1 1 -4  5  4  o 121.5000 0.8688000 -1.695000      1.738000  
1 1 1 -4  5  5  o 83.35000 0.6161000 2.172000       1.232000  
1 1 1 -4  5  6  o 49.05000 0.4467000 0.5272000      0.8935000 
1 1 1 -4  5  7  o 88.35000 0.6575000 1.687000       1.315000  
1 1 1 -4  5  8  o 37.67000 0.5107000 -0.3804000     1.021000  
1 1 1 -4  5  9  o 24.16000 0.7304000 -0.9782000E-01 1.461000  
1 1 1 -4  5  10 o 44.12000 0.5453000 -0.5405000     1.091000  
1 1 1 -4  5  11 o 61.50000 0.5681000 -1.101000      1.136000  
1 1 1 -4  5  12 o 11.44000 2.423000  -5.191000      4.845000  
1 1 1 -4  5  13 o 53.53000 0.6506000 -0.5006000     1.301000  
1 1 1 -4  5  14 o 54.74000 0.6783000 0.1657000      1.357000  
1 1 1 -4  5  15 o 9.913000 2.326000  -1.032000      4.652000  
1 1 1 -4  5  16 o 59.21000 0.7417000 -0.8369000     1.483000  
1 1 1 -4  5  17 o 47.46000 0.8468000 -1.334000      1.694000  
1 1 1 -4  5  18 o 75.71000 0.8192000 0.9091000      1.638000  
1 1 1 -4  5  19 o 14.30000 2.540000  2.972000       5.080000  
1 1 1 -4  5  20 o 75.98000 0.8504000 -1.671000      1.701000  
1 1 1 -4  5  21 f 31.62000 1.291000  1.098000       2.582000  
1 1 1 -4  5  22 o 14.90000 2.439000  6.134000       4.877000  
1 1 1 -4  5  23 f 9.323000 2.593000  -1.658000      5.186000  
1 1 1 -4  5  24 o 11.45000 2.719000  -4.007000      5.437000  
1 1 1 -4  5  25 o 12.58000 2.351000  -4.272000      4.702000  
1 1 1 -4  5  26 o 28.43000 1.632000  1.879000       3.264000  
1 1 1 -4  5  27 o 8.133000 2.557000  -0.4321000     5.115000  
1 1 1 -4  5  28 o 5.378000 1.907000  -0.5705000     3.815000  
1 1 1 -4  6  1  o 51.44000 0.4366000 -0.3623000     0.8732000 
1 1 1 -4  6  2  o 37.61000 0.3869000 -0.1589000     0.7737000 
1 1 1 -4  6  3  o 48.77000 0.4330000 -0.9305000     0.8660000 
1 1 1 -4  6  4  o 24.76000 0.4620000 -0.6518000     0.9241000 
1 1 1 -4  6  5  o 61.13000 0.5013000 -0.2135000     1.003000  
1 1 1 -4  6  6  o 60.38000 0.5093000 -0.7727000     1.019000  
1 1 1 -4  6  7  o 103.8000 0.7600000 -0.7790000     1.520000  
1 1 1 -4  6  8  o 172.3000 1.222000  4.652000       2.443000  
1 1 1 -4  6  9  o 93.04000 0.7039000 0.3002000E-01  1.408000  
1 1 1 -4  6  10 o 132.6000 0.9563000 -2.497000      1.913000  
1 1 1 -4  6  11 o 112.8000 0.8307000 -0.6608000     1.661000  
1 1 1 -4  6  12 o 147.9000 1.065000  -3.647000      2.130000  
1 1 1 -4  6  13 o 105.4000 0.7974000 -1.846000      1.595000  
1 1 1 -4  6  14 o 48.46000 0.7118000 -0.5917000     1.424000  
1 1 1 -4  6  15 f 56.67000 0.7151000 1.226000       1.430000  
1 1 1 -4  6  16 o 22.95000 1.407000  0.3489000E-02  2.815000  
1 1 1 -4  6  17 o 40.62000 0.9344000 2.275000       1.869000  
1 1 1 -4  6  18 o 45.09000 0.9004000 -0.1404000     1.801000  
1 1 1 -4  6  19 o 49.48000 0.8486000 -0.7771000     1.697000  
1 1 1 -4  6  20 o 39.59000 1.024000  -0.3066000E-01 2.048000  
1 1 1 -4  6  21 o 23.55000 1.525000  -4.529000      3.049000  
1 1 1 -4  6  22 o 11.66000 2.659000  -5.912000      5.318000  
1 1 1 -4  6  23 o 17.32000 2.230000  1.476000       4.460000  
1 1 1 -4  6  24 o 17.24000 2.223000  ?              ?         
1 1 1 -4  6  25 o 9.527000 2.693000  -1.137000      5.386000  
1 1 1 -4  6  26 o 7.362000 2.402000  1.855000       4.804000  
1 1 1 -4  6  27 o 7.933000 2.525000  -1.159000      5.050000  
1 1 1 -4  6  28 o 5.941000 2.078000  0.8051000      4.156000  
1 1 1 -4  6  29 o 5.525000 2.767000  ?              ?         
1 1 1 -4  7  1  o 85.04000 0.6311000 0.6232000      1.262000  
1 1 1 -4  7  2  o 23.79000 0.5358000 0.5766000      1.072000  
1 1 1 -4  7  3  o 98.13000 0.7146000 -0.4758000E-01 1.429000  
1 1 1 -4  7  4  o 59.97000 0.4983000 -0.3901000     0.9966000 
1 1 1 -4  7  5  o 49.20000 0.4711000 0.6525000      0.9421000 
1 1 1 -4  7  6  o 55.84000 0.5017000 1.714000       1.003000  
1 1 1 -4  7  7  o 41.28000 0.4999000 1.942000       0.9997000 
1 1 1 -4  7  8  f 41.22000 0.5251000 -0.1476000     1.050000  
1 1 1 -4  7  9  o 25.82000 0.7323000 -0.1351000     1.465000  
1 1 1 -4  7  10 o 34.23000 0.6299000 -0.6623000     1.260000  
1 1 1 -4  7  11 o 27.23000 0.8118000 1.420000       1.624000  
1 1 1 -4  7  12 o 18.39000 1.252000  -1.005000      2.505000  
1 1 1 -4  7  13 o 48.60000 0.6450000 -0.2996000     1.290000  
1 1 1 -4  7  14 o 8.540000 2.242000  -0.4511000     4.484000  
1 1 1 -4  7  15 o 34.65000 0.9372000 0.7028000      1.874000  
1 1 1 -4  7  16 o 12.34000 2.420000  -0.3239000     4.839000  
1 1 1 -4  7  17 o 29.72000 1.190000  -0.4249000     2.379000  
1 1 1 -4  7  18 o 19.90000 1.854000  2.339000       3.707000  
1 1 1 -4  7  19 o 54.71000 0.8452000 -0.9828000     1.690000  
1 1 1 -4  7  20 o 44.99000 0.8648000 -2.487000      1.730000  
1 1 1 -4  7  21 o 31.72000 1.208000  1.939000       2.416000  
1 1 1 -4  7  22 o 19.84000 1.800000  -3.531000      3.600000  
1 1 1 -4  7  23 o 23.25000 1.488000  -2.122000      2.976000  
1 1 1 -4  7  24 o 8.049000 2.273000  3.226000       4.547000  
1 1 1 -4  7  25 o 9.057000 2.722000  -0.1903000     5.444000  
1 1 1 -4  7  26 o 6.340000 2.162000  -1.405000      4.323000  
1 1 1 -4  7  27 o 6.691000 2.261000  -2.145000      4.521000  
1 1 1 -4  7  28 o 8.137000 2.621000  0.3279000E-01  5.242000  
1 1 1 -4  7  29 o 6.446000 3.162000  ?              ?         
1 1 1 -4  8  1  o 89.29000 0.6619000 1.620000       1.324000  
1 1 1 -4  8  2  o 27.09000 0.5643000 1.426000       1.129000  
1 1 1 -4  8  3  o 75.91000 0.5841000 1.073000       1.168000  
1 1 1 -4  8  4  o 45.26000 0.4738000 0.3005000      0.9475000 
1 1 1 -4  8  5  o 66.73000 0.5482000 0.4192000      1.096000  
1 1 1 -4  8  6  o 43.84000 0.4889000 1.324000       0.9778000 
1 1 1 -4  8  7  o 40.52000 0.5280000 1.885000       1.056000  
1 1 1 -4  8  8  o 131.0000 0.9450000 0.2306000      1.890000  
1 1 1 -4  8  9  f 54.46000 0.5596000 1.698000       1.119000  
1 1 1 -4  8  10 o 52.46000 0.5833000 -0.2816000     1.167000  
1 1 1 -4  8  11 o 50.18000 0.6183000 -0.1191000     1.237000  
1 1 1 -4  8  12 o 100.4000 0.7751000 2.535000       1.550000  
1 1 1 -4  8  13 o 30.07000 0.8895000 -3.545000      1.779000  
1 1 1 -4  8  14 o 74.61000 0.6865000 0.7199000      1.373000  
1 1 1 -4  8  15 o 25.76000 1.174000  -3.809000      2.349000  
1 1 1 -4  8  16 o 40.04000 0.8797000 -0.1793000     1.759000  
1 1 1 -4  8  17 o 39.03000 0.9313000 1.489000       1.863000  
1 1 1 -4  8  18 o 25.73000 1.370000  4.075000       2.740000  
1 1 1 -4  8  19 o 30.28000 1.148000  6.035000       2.296000  
1 1 1 -4  8  20 o 7.112000 2.170000  2.148000       4.340000  
1 1 1 -4  8  21 o 10.38000 2.565000  0.7421000      5.130000  
1 1 1 -4  8  22 o 16.55000 2.470000  ?              ?         
1 1 1 -4  8  23 o 19.41000 1.838000  -3.737000      3.676000  
1 1 1 -4  8  24 o 13.23000 2.729000  -6.885000      5.458000  
1 1 1 -4  8  25 o 7.079000 2.284000  -2.641000      4.568000  
1 1 1 -4  8  26 o 6.910000 2.278000  -1.349000      4.557000  
1 1 1 -4  8  27 o 8.365000 2.569000  3.657000       5.138000  
1 1 1 -4  8  28 o 7.091000 2.395000  0.3698000      4.789000  
1 1 1 -4  9  1  o 91.43000 0.6825000 1.612000       1.365000  
1 1 1 -4  9  2  o 81.55000 0.6260000 2.284000       1.252000  
1 1 1 -4  9  3  o 27.04000 0.6031000 1.152000       1.206000  
1 1 1 -4  9  4  f 164.3000 1.167000  2.633000       2.334000  
1 1 1 -4  9  5  o 114.1000 0.8303000 -2.031000      1.661000  
1 1 1 -4  9  6  o 66.26000 0.5599000 -0.3118000     1.120000  
1 1 1 -4  9  7  o 8.213000 1.711000  4.871000       3.421000  
1 1 1 -4  9  8  o 47.29000 0.5555000 1.009000       1.111000  
1 1 1 -4  9  9  o 44.96000 0.5857000 -1.633000      1.171000  
1 1 1 -4  9  10 o 34.40000 0.6938000 -0.4543000E-01 1.388000  
1 1 1 -4  9  11 o 23.33000 1.052000  -3.689000      2.104000  
1 1 1 -4  9  12 o 19.43000 1.311000  -2.536000      2.623000  
1 1 1 -4  9  13 o 35.47000 0.8063000 1.809000       1.613000  
1 1 1 -4  9  14 o 19.33000 1.558000  4.939000       3.116000  
1 1 1 -4  9  15 o 23.58000 1.287000  0.2940000      2.573000  
1 1 1 -4  9  16 o 12.82000 2.482000  -4.954000      4.964000  
1 1 1 -4  9  17 o 15.15000 2.166000  -4.936000      4.332000  
1 1 1 -4  9  18 o 10.94000 2.243000  6.194000       4.486000  
1 1 1 -4  9  19 o 22.66000 1.459000  -3.060000      2.917000  
1 1 1 -4  9  20 o 20.62000 1.668000  -0.3060000     3.336000  
1 1 1 -4  9  21 o 24.17000 1.511000  3.860000       3.022000  
1 1 1 -4  9  22 o 26.04000 1.281000  -2.333000      2.562000  
1 1 1 -4  9  23 o 30.68000 1.307000  -1.984000      2.614000  
1 1 1 -4  9  24 o 13.94000 2.663000  0.2661000      5.326000  
1 1 1 -4  9  25 o 7.181000 2.362000  -1.090000      4.724000  
1 1 1 -4  9  26 o 7.011000 2.317000  -2.336000      4.634000  
1 1 1 -4  9  27 o 6.658000 2.251000  -0.9817000     4.502000  
1 1 1 -4  9  28 o 8.987000 2.764000  -1.244000      5.528000  
1 1 1 -4  10 1  o 115.1000 0.8387000 -0.6522000     1.677000  
1 1 1 -4  10 2  o 81.54000 0.6365000 1.161000       1.273000  
1 1 1 -4  10 3  o 22.14000 0.8011000 0.3139000      1.602000  
1 1 1 -4  10 4  o 77.06000 0.6155000 -0.6293000E-01 1.231000  
1 1 1 -4  10 5  o 126.7000 0.9168000 -0.8985000     1.834000  
1 1 1 -4  10 6  o 131.3000 0.9493000 2.407000       1.899000  
1 1 1 -4  10 7  o 30.71000 0.6774000 1.864000       1.355000  
1 1 1 -4  10 8  o 93.18000 0.7172000 -0.2048000     1.434000  
1 1 1 -4  10 9  o 104.0000 0.7863000 2.262000       1.573000  
1 1 1 -4  10 10 o 67.65000 0.8192000 -1.758000      1.638000  
1 1 1 -4  10 11 o 42.52000 0.6775000 1.312000       1.355000  
1 1 1 -4  10 12 o 59.41000 0.6638000 -2.210000      1.328000  
1 1 1 -4  10 13 o 95.41000 0.7673000 -0.5202000     1.535000  
1 1 1 -4  10 14 o 63.14000 0.7064000 -0.7779000     1.413000  
1 1 1 -4  10 15 o 32.39000 1.003000  -1.301000      2.006000  
1 1 1 -4  10 16 o 26.71000 1.214000  6.564000       2.429000  
1 1 1 -4  10 17 o 18.40000 1.743000  0.3240000      3.486000  
1 1 1 -4  10 18 o 26.08000 1.208000  1.777000       2.417000  
1 1 1 -4  10 19 o 23.15000 1.365000  -1.288000      2.731000  
1 1 1 -4  10 20 o 17.37000 1.916000  0.5240000      3.832000  
1 1 1 -4  10 21 o 14.45000 2.275000  -4.204000      4.551000  
1 1 1 -4  10 22 o 7.427000 2.299000  -4.803000      4.598000  
1 1 1 -4  10 23 o 9.024000 2.623000  2.243000       5.245000  
1 1 1 -4  10 24 o 6.152000 2.118000  -1.512000      4.235000  
1 1 1 -4  10 25 o 6.639000 2.238000  -1.048000      4.475000  
1 1 1 -4  10 26 f 6.702000 2.270000  -0.7808000     4.539000  
1 1 1 -4  10 27 f 8.230000 2.579000  -1.128000      5.159000  
1 1 1 -4  11 1  o 72.55000 0.5999000 -1.989000      1.200000  
1 1 1 -4  11 2  o 103.4000 0.7688000 -0.2527000     1.538000  
1 1 1 -4  11 3  o 70.22000 0.6000000 -1.314000      1.200000  
1 1 1 -4  11 4  o 44.63000 0.5677000 1.074000       1.135000  
1 1 1 -4  11 5  o 130.0000 0.9423000 -0.8207000     1.885000  
1 1 1 -4  11 6  o 70.09000 0.6092000 -0.2966000     1.218000  
1 1 1 -4  11 7  o 54.26000 0.5838000 0.9886000      1.168000  
1 1 1 -4  11 8  o 20.80000 1.704000  -0.3283000     3.408000  
1 1 1 -4  11 9  o 30.05000 0.8214000 -1.759000      1.643000  
1 1 1 -4  11 10 o 15.86000 1.630000  -3.510000      3.259000  
1 1 1 -4  11 11 o 68.56000 0.6627000 0.1827000      1.325000  
1 1 1 -4  11 12 o 24.11000 1.199000  1.350000       2.397000  
1 1 1 -4  11 13 o 22.24000 1.297000  1.479000       2.594000  
1 1 1 -4  11 14 o 30.64000 0.9952000 2.831000       1.990000  
1 1 1 -4  11 15 o 25.92000 1.169000  -0.8760000     2.339000  
1 1 1 -4  11 16 o 25.43000 1.337000  1.409000       2.675000  
1 1 1 -4  11 17 o 23.95000 1.239000  -4.642000      2.478000  
1 1 1 -4  11 18 o 9.503000 2.467000  -1.497000      4.933000  
1 1 1 -4  11 19 o 7.521000 2.251000  0.3188000      4.503000  
1 1 1 -4  11 20 o 7.476000 2.217000  1.614000       4.435000  
1 1 1 -4  11 21 o 15.43000 2.256000  2.642000       4.511000  
1 1 1 -4  11 22 o 13.07000 2.665000  1.856000       5.331000  
1 1 1 -4  11 23 o 8.661000 2.581000  1.879000       5.162000  
1 1 1 -4  11 24 o 11.17000 2.666000  -5.187000      5.333000  
1 1 1 -4  11 25 o 14.44000 2.800000  -6.134000      5.599000  
1 1 1 -4  11 26 f 6.706000 2.271000  -0.6373000     4.542000  
1 1 1 -4  12 1  o 19.26000 1.426000  -5.550000      2.853000  
1 1 1 -4  12 2  o 32.67000 0.7181000 -1.836000      1.436000  
1 1 1 -4  12 3  o 26.98000 1.315000  -1.918000      2.631000  
1 1 1 -4  12 4  o 36.85000 1.021000  -4.613000      2.042000  
1 1 1 -4  12 5  o 69.70000 0.8028000 -2.682000      1.606000  
1 1 1 -4  12 6  o 27.66000 0.8611000 -2.887000      1.722000  
1 1 1 -4  12 7  o 43.23000 0.6442000 -1.378000      1.288000  
1 1 1 -4  12 8  o 26.43000 0.9087000 0.4663000E-02  1.817000  
1 1 1 -4  12 9  o 114.0000 0.8542000 0.4171000      1.708000  
1 1 1 -4  12 10 f 93.91000 0.7503000 2.035000       1.501000  
1 1 1 -4  12 11 o 52.98000 0.6837000 -3.048000      1.367000  
1 1 1 -4  12 12 o 43.08000 0.7532000 0.1199000E-01  1.506000  
1 1 1 -4  12 13 o 50.87000 0.6986000 0.1092000      1.397000  
1 1 1 -4  12 14 o 59.09000 0.6892000 -0.4579000     1.378000  
1 1 1 -4  12 15 o 47.59000 0.7261000 2.368000       1.452000  
1 1 1 -4  12 16 o 50.82000 0.7389000 -1.725000      1.478000  
1 1 1 -4  12 17 o 18.05000 1.655000  -3.380000      3.311000  
1 1 1 -4  12 18 o 19.99000 1.751000  2.196000       3.503000  
1 1 1 -4  12 19 o 11.10000 2.465000  -1.716000      4.930000  
1 1 1 -4  12 20 o 15.81000 2.210000  -3.873000      4.420000  
1 1 1 -4  12 21 o 8.806000 2.623000  -1.939000      5.247000  
1 1 1 -4  12 22 o 13.03000 2.537000  8.085000       5.075000  
1 1 1 -4  12 23 o 8.474000 2.581000  1.083000       5.162000  
1 1 1 -4  12 24 f 7.507000 2.439000  1.226000       4.877000  
1 1 1 -4  12 25 o 5.841000 2.037000  -1.835000      4.075000  
1 1 1 -4  13 1  o 36.68000 0.7179000 0.4175000      1.436000  
1 1 1 -4  13 2  f 105.2000 0.7940000 0.7353000      1.588000  
1 1 1 -4  13 3  o 94.26000 0.7340000 -1.332000      1.468000  
1 1 1 -4  13 4  o 49.14000 0.6049000 0.1028000      1.210000  
1 1 1 -4  13 5  o 37.00000 0.7252000 -0.4274000E-01 1.450000  
1 1 1 -4  13 6  o 46.87000 0.6482000 -0.9868000     1.296000  
1 1 1 -4  13 7  o 5.540000 1.820000  0.6291000      3.641000  
1 1 1 -4  13 8  f 15.78000 1.658000  -2.137000      3.315000  
1 1 1 -4  13 9  f 50.17000 0.6533000 0.4065000      1.307000  
1 1 1 -4  13 10 o 20.60000 1.223000  -1.299000      2.447000  
1 1 1 -4  13 11 o 24.58000 1.087000  -1.730000      2.174000  
1 1 1 -4  13 12 o 13.50000 2.035000  -0.1290000     4.070000  
1 1 1 -4  13 13 o 10.27000 2.027000  -6.737000      4.054000  
1 1 1 -4  13 14 o 19.62000 1.412000  -1.166000      2.823000  
1 1 1 -4  13 15 o 19.31000 1.511000  -5.494000      3.023000  
1 1 1 -4  13 16 o 11.55000 2.290000  -3.610000      4.581000  
1 1 1 -4  13 17 o 17.40000 1.756000  3.576000       3.512000  
1 1 1 -4  13 18 o 8.536000 2.342000  1.335000       4.683000  
1 1 1 -4  13 19 o 12.45000 2.730000  -3.654000      5.461000  
1 1 1 -4  13 20 o 9.028000 2.649000  1.203000       5.298000  
1 1 1 -4  13 22 o 8.435000 2.562000  1.361000       5.123000  
1 1 1 -4  13 23 o 12.66000 2.760000  -4.131000      5.521000  
1 1 1 -4  13 24 o 15.18000 2.779000  -1.477000      5.559000  
1 1 1 -4  14 1  o 54.33000 0.7244000 0.2787000      1.449000  
1 1 1 -4  14 2  o 60.46000 0.6155000 -0.6305000     1.231000  
1 1 1 -4  14 3  o 35.65000 0.7344000 -0.3587000     1.469000  
1 1 1 -4  14 4  o 22.01000 1.074000  1.341000       2.147000  
1 1 1 -4  14 5  o 29.64000 0.8852000 -0.4682000     1.770000  
1 1 1 -4  14 6  o 8.904000 2.023000  -4.209000      4.046000  
1 1 1 -4  14 7  o 8.638000 1.949000  -5.201000      3.898000  
1 1 1 -4  14 8  o 41.43000 0.6870000 1.529000       1.374000  
1 1 1 -4  14 9  o 57.25000 0.6414000 0.3665000      1.283000  
1 1 1 -4  14 10 o 69.13000 0.6567000 -1.192000      1.313000  
1 1 1 -4  14 11 o 47.59000 0.6521000 -1.422000      1.304000  
1 1 1 -4  14 12 o 46.45000 0.6742000 1.870000       1.348000  
1 1 1 -4  14 13 o 33.99000 0.8393000 -0.6665000     1.679000  
1 1 1 -4  14 14 o 41.44000 0.7433000 1.934000       1.487000  
1 1 1 -4  14 15 o 33.25000 0.9009000 -0.2411000     1.802000  
1 1 1 -4  14 16 o 20.24000 1.449000  -1.701000      2.899000  
1 1 1 -4  14 17 o 11.26000 2.369000  1.739000       4.738000  
1 1 1 -4  14 18 o 10.18000 2.726000  -1.834000      5.453000  
1 1 1 -4  14 19 o 9.409000 2.637000  -3.868000      5.273000  
1 1 1 -4  14 20 o 7.715000 2.421000  0.5270000E-02  4.842000  
1 1 1 -4  14 21 o 6.236000 2.114000  -0.2882000     4.228000  
1 1 1 -4  14 22 o 7.713000 2.466000  0.1233000      4.932000  
1 1 1 -4  14 23 o 8.446000 2.580000  1.608000       5.159000  
1 1 1 -4  15 1  f 15.45000 1.621000  1.196000       3.243000  
1 1 1 -4  15 2  o 20.28000 1.227000  -4.069000      2.454000  
1 1 1 -4  15 3  o 9.855000 2.121000  1.732000       4.243000  
1 1 1 -4  15 4  o 6.568000 2.011000  1.299000       4.021000  
1 1 1 -4  15 5  o 15.57000 1.725000  -1.814000      3.450000  
1 1 1 -4  15 6  o 16.25000 1.601000  -5.005000      3.202000  
1 1 1 -4  15 7  o 6.423000 1.970000  -0.7341000     3.941000  
1 1 1 -4  15 8  o 14.19000 1.817000  -1.899000      3.634000  
1 1 1 -4  15 9  o 6.313000 1.927000  3.142000       3.853000  
1 1 1 -4  15 10 f 9.250000 1.837000  -6.840000      3.674000  
1 1 1 -4  15 11 o 13.61000 1.866000  -0.3472000E-01 3.731000  
1 1 1 -4  15 12 o 24.53000 1.044000  -2.764000      2.089000  
1 1 1 -4  15 13 o 7.628000 2.172000  1.097000       4.345000  
1 1 1 -4  15 14 o 12.46000 2.155000  -2.906000      4.310000  
1 1 1 -4  15 15 o 8.114000 2.278000  -1.768000      4.555000  
1 1 1 -4  15 16 o 9.925000 2.520000  3.662000       5.040000  
1 1 1 -4  15 17 o 14.26000 2.599000  -6.790000      5.198000  
1 1 1 -4  15 18 o 10.51000 2.771000  -3.124000      5.541000  
1 1 1 -4  15 19 o 6.868000 2.264000  -2.746000      4.529000  
1 1 1 -4  15 20 o 7.035000 2.304000  -1.765000      4.608000  
1 1 1 -4  15 21 o 8.948000 2.663000  -1.446000      5.326000  
1 1 1 -4  15 22 o 6.286000 2.139000  0.2934000      4.277000  
1 1 1 -4  16 1  o 11.93000 2.016000  -2.501000      4.033000  
1 1 1 -4  16 2  o 15.43000 1.612000  0.9360000      3.225000  
1 1 1 -4  16 3  o 30.14000 0.8423000 -1.522000      1.685000  
1 1 1 -4  16 4  o 8.791000 2.186000  0.4748000      4.372000  
1 1 1 -4  16 5  o 15.27000 1.717000  -4.491000      3.434000  
1 1 1 -4  16 6  o 27.80000 0.9151000 -1.135000      1.830000  
1 1 1 -4  16 7  f 18.42000 1.403000  -4.688000      2.805000  
1 1 1 -4  16 8  o 15.04000 1.670000  1.522000       3.340000  
1 1 1 -4  16 9  o 26.41000 0.9687000 1.682000       1.937000  
1 1 1 -4  16 10 o 19.89000 1.473000  -4.091000      2.946000  
1 1 1 -4  16 11 o 20.01000 1.321000  -1.585000      2.643000  
1 1 1 -4  16 12 o 13.42000 1.937000  9.614000       3.874000  
1 1 1 -4  16 13 o 10.22000 2.028000  -6.564000      4.055000  
1 1 1 -4  16 14 o 9.657000 2.616000  2.589000       5.231000  
1 1 1 -4  16 15 o 20.13000 1.947000  -0.4308000     3.895000  
1 1 1 -4  16 16 o 11.93000 2.813000  0.5970000      5.627000  
1 1 1 -4  16 17 o 7.289000 2.340000  -2.552000      4.680000  
1 1 1 -4  16 18 f 7.024000 2.299000  -2.240000      4.598000  
1 1 1 -4  16 19 o 6.833000 2.265000  -2.716000      4.531000  
1 1 1 -4  16 20 o 11.90000 2.808000  -2.055000      5.617000  
1 1 1 -4  17 1  o 20.08000 1.270000  0.8680000E-01  2.541000  
1 1 1 -4  17 2  o 7.245000 2.018000  -3.279000      4.036000  
1 1 1 -4  17 3  o 5.969000 1.891000  2.262000       3.781000  
1 1 1 -4  17 4  o 6.563000 1.980000  -1.592000      3.960000  
1 1 1 -4  17 5  o 11.61000 1.913000  -8.116000      3.825000  
1 1 1 -4  17 6  o 10.01000 2.183000  3.456000       4.367000  
1 1 1 -4  17 7  o 7.107000 2.098000  1.199000       4.195000  
1 1 1 -4  17 8  o 11.47000 2.009000  -5.389000      4.018000  
1 1 1 -4  17 9  f 12.63000 2.175000  -0.5471000E-01 4.350000  
1 1 1 -4  17 10 o 10.94000 2.261000  2.509000       4.523000  
1 1 1 -4  17 11 o 8.497000 2.319000  0.9688000      4.638000  
1 1 1 -4  17 12 o 6.646000 2.102000  0.8353000      4.204000  
1 1 1 -4  17 13 o 9.898000 2.637000  2.213000       5.274000  
1 1 1 -4  17 14 o 10.69000 2.599000  -3.996000      5.197000  
1 1 1 -4  17 15 o 6.818000 2.228000  -0.7543000     4.455000  
1 1 1 -4  17 16 o 9.319000 2.442000  -6.707000      4.885000  
1 1 1 -4  17 17 o 7.426000 2.388000  -1.027000      4.775000  
1 1 1 -4  17 18 f 10.36000 2.798000  1.454000       5.596000  
1 1 1 -4  17 19 o 5.634000 1.963000  0.9722000      3.926000  
1 1 1 -4  18 1  o 9.594000 2.208000  3.826000       4.417000  
1 1 1 -4  18 2  o 8.540000 2.203000  -2.957000      4.407000  
1 1 1 -4  18 3  o 14.38000 1.969000  -1.402000      3.937000  
1 1 1 -4  18 4  o 22.02000 1.241000  1.145000       2.483000  
1 1 1 -4  18 5  o 24.95000 1.156000  1.762000       2.312000  
1 1 1 -4  18 6  o 16.63000 1.751000  1.292000       3.501000  
1 1 1 -4  18 7  o 9.448000 1.956000  -7.985000      3.912000  
1 1 1 -4  18 8  o 9.048000 2.373000  -0.6101000E-01 4.745000  
1 1 1 -4  18 9  o 10.14000 2.383000  2.696000       4.766000  
1 1 1 -4  18 10 o 9.217000 2.279000  -3.460000      4.558000  
1 1 1 -4  18 11 o 7.307000 2.337000  -0.4811000     4.674000  
1 1 1 -4  18 12 o 7.198000 2.318000  -0.3855000     4.635000  
1 1 1 -4  18 13 o 8.791000 2.546000  2.182000       5.092000  
1 1 1 -4  18 14 o 7.108000 2.200000  -3.565000      4.401000  
1 1 1 -4  18 15 o 6.854000 2.255000  -0.1638000     4.510000  
1 1 1 -4  18 16 o 9.269000 2.630000  1.344000       5.260000  
1 1 1 -4  18 17 o 7.681000 2.437000  -2.687000      4.875000  
1 1 1 -4  19 1  o 11.50000 2.454000  3.710000       4.908000  
1 1 1 -4  19 2  o 6.879000 2.178000  -0.2009000     4.356000  
1 1 1 -4  19 3  o 10.76000 2.426000  -0.4274000     4.852000  
1 1 1 -4  19 4  o 12.82000 2.301000  -2.494000      4.601000  
1 1 1 -4  19 5  o 15.67000 2.099000  -3.255000      4.199000  
1 1 1 -4  19 6  o 8.978000 2.442000  -0.9868000E-01 4.884000  
1 1 1 -4  19 7  o 10.61000 2.490000  3.686000       4.981000  
1 1 1 -4  19 8  o 11.40000 2.600000  -1.647000      5.199000  
1 1 1 -4  19 9  o 8.303000 2.497000  -1.906000      4.993000  
1 1 1 -4  19 10 o 6.553000 2.186000  1.067000       4.373000  
1 1 1 -4  19 11 o 7.980000 2.470000  -1.858000      4.939000  
1 1 1 -4  19 12 o 8.474000 2.558000  -2.166000      5.116000  
1 1 1 -4  19 14 f 12.00000 2.781000  -2.246000      5.563000  
1 1 1 -4  20 1  o 9.127000 2.460000  -2.814000      4.919000  
1 1 1 -4  20 2  o 9.471000 2.454000  -3.172000      4.909000  
1 1 1 -4  20 3  o 13.67000 2.626000  0.4316000E-01  5.253000  
1 1 1 -4  20 4  o 6.590000 2.239000  1.870000       4.477000  
1 1 1 -4  20 5  o 10.13000 2.807000  3.379000       5.615000  
1 1 1 -4  20 6  o 9.061000 2.684000  1.328000       5.368000  
1 1 1 -4  20 7  o 8.449000 2.522000  -2.566000      5.044000  
1 1 1 -4  20 8  o 7.304000 2.379000  1.600000       4.759000  
1 1 1 -4  20 9  o 7.053000 2.314000  -0.9830000     4.628000  
1 1 1 -4  20 10 o 8.089000 2.508000  -2.291000      5.016000  
1 1 1 -4  20 11 o 6.621000 2.237000  -1.390000      4.474000  
1 1 1 -4  21 1  o 7.638000 2.478000  2.237000       4.956000  
1 1 1 -4  21 2  o 7.075000 2.374000  0.4844000      4.749000  
1 1 1 -4  21 3  o 8.145000 2.583000  0.4839000      5.166000  
1 1 1 -4  21 4  o 6.977000 2.341000  0.8850000      4.681000  
1 1 1 -4  21 5  o 6.594000 2.247000  2.623000       4.495000  
1 1 1 -3  0  1  o 17.15000 0.4606000 -0.000000      0.000000  
1 1 1 -3  0  2  o 25.94000 0.4160000 -0.000000      0.000000  
1 1 1 -3  0  3  o 19.36000 0.5455000 -0.000000      0.000000  
1 1 1 -3  0  4  o 37.53000 0.5029000 -0.000000      0.000000  
1 1 1 -3  0  6  o 17.78000 0.8519000 -0.000000      0.000000  
1 1 1 -3  0  7  o 24.88000 0.7039000 -0.000000      0.000000  
1 1 1 -3  0  8  o 3.879000 2.389000  -0.000000      0.000000  
1 1 1 -3  0  9  o 87.96000 0.9160000 -0.000000      0.000000  
1 1 1 -3  0  10 o 23.31000 0.9825000 -0.000000      0.000000  
1 1 1 -3  0  11 o 55.48000 0.7358000 -0.000000      0.000000  
1 1 1 -3  0  12 o 5.943000 3.233000  -0.000000      0.000000  
1 1 1 -3  0  13 o 21.29000 1.479000  -0.000000      0.000000  
1 1 1 -3  0  14 o 84.52000 0.9438000 -0.000000      0.000000  
1 1 1 -3  0  15 o 66.02000 0.8817000 -0.000000      0.000000  
1 1 1 -3  0  16 o 12.69000 3.401000  -0.000000      0.000000  
1 1 1 -3  0  17 o 102.8000 1.137000  -0.000000      0.000000  
1 1 1 -3  0  18 o 135.7000 1.416000  -0.000000      0.000000  
1 1 1 -3  0  19 o 61.34000 1.049000  -0.000000      0.000000  
1 1 1 -3  0  20 o 97.84000 1.141000  -0.000000      0.000000  
1 1 1 -3  0  21 o 39.81000 1.389000  -0.000000      0.000000  
1 1 1 -3  0  22 o 10.13000 4.563000  -0.000000      0.000000  
1 1 1 -3  0  23 o 7.428000 4.200000  -0.000000      0.000000  
1 1 1 -3  0  24 o 29.14000 1.759000  -0.000000      0.000000  
1 1 1 -3  0  25 o 20.17000 2.589000  -0.000000      0.000000  
1 1 1 -3  0  26 o 3.756000 2.690000  -0.000000      0.000000  
1 1 1 -3  0  27 o 4.227000 2.982000  -0.000000      0.000000  
1 1 1 -3  1  1  o 109.0000 0.9366000 -4.580000      1.873000  
1 1 1 -3  1  3  o 106.6000 0.7547000 1.543000       1.509000  
1 1 1 -3  1  4  o 255.8000 2.544000  2.853000       5.089000  
1 1 1 -3  1  5  o 94.37000 0.6767000 -3.055000      1.353000  
1 1 1 -3  1  6  o 224.7000 1.580000  1.054000       3.159000  
1 1 1 -3  1  7  o 103.2000 0.8600000 -2.436000      1.720000  
1 1 1 -3  1  8  o 31.28000 0.5437000 1.911000       1.087000  
1 1 1 -3  1  9  o 87.99000 0.6510000 -0.8138000     1.302000  
1 1 1 -3  1  10 o 39.59000 0.4907000 -0.4235000     0.9814000 
1 1 1 -3  1  11 o 43.39000 0.5287000 -1.857000      1.057000  
1 1 1 -3  1  12 o 43.21000 0.5702000 1.316000       1.140000  
1 1 1 -3  1  13 o 11.13000 1.885000  3.488000       3.769000  
1 1 1 -3  1  14 o 10.66000 2.044000  -2.780000      4.088000  
1 1 1 -3  1  15 o 49.81000 0.6250000 -1.642000      1.250000  
1 1 1 -3  1  16 o 8.472000 2.275000  0.2447000      4.549000  
1 1 1 -3  1  17 o 36.00000 0.8463000 -2.830000      1.693000  
1 1 1 -3  1  18 o 14.62000 2.159000  4.832000       4.317000  
1 1 1 -3  1  19 o 8.789000 2.459000  0.5015000      4.918000  
1 1 1 -3  1  20 o 24.52000 1.458000  -3.896000      2.916000  
1 1 1 -3  1  21 o 21.01000 1.781000  -2.587000      3.562000  
1 1 1 -3  1  22 o 8.871000 2.576000  -0.9572000     5.153000  
1 1 1 -3  1  23 o 13.63000 2.540000  -0.1252000     5.079000  
1 1 1 -3  1  24 o 19.74000 1.976000  5.554000       3.952000  
1 1 1 -3  1  25 o 14.10000 2.939000  -8.692000      5.877000  
1 1 1 -3  1  26 o 9.720000 2.570000  1.219000       5.140000  
1 1 1 -3  1  27 o 8.737000 2.482000  2.024000       4.963000  
1 1 1 -3  2  1  o 14.15000 0.6736000 -1.821000      1.347000  
1 1 1 -3  2  2  o 44.31000 0.4560000 0.5962000      0.9121000 
1 1 1 -3  2  3  o 58.18000 0.5172000 0.3774000      1.034000  
1 1 1 -3  2  4  o 51.26000 0.4053000 0.3013000      0.8106000 
1 1 1 -3  2  5  o 40.63000 0.3778000 0.3338000      0.7555000 
1 1 1 -3  2  6  o 108.2000 0.7731000 2.701000       1.546000  
1 1 1 -3  2  7  o 147.4000 1.043000  -0.5310000     2.086000  
1 1 1 -3  2  8  o 102.7000 0.8555000 -1.577000      1.711000  
1 1 1 -3  2  9  o 38.14000 0.5551000 0.5035000      1.110000  
1 1 1 -3  2  10 o 82.17000 0.7655000 -1.272000      1.531000  
1 1 1 -3  2  11 o 49.98000 0.5209000 0.3333000      1.042000  
1 1 1 -3  2  12 o 115.0000 0.8369000 0.9334000      1.674000  
1 1 1 -3  2  13 o 134.3000 0.9682000 -2.853000      1.936000  
1 1 1 -3  2  14 o 84.92000 0.6725000 0.4680000      1.345000  
1 1 1 -3  2  15 o 98.63000 0.7553000 0.8392000      1.511000  
1 1 1 -3  2  16 f 57.90000 0.6332000 1.448000       1.266000  
1 1 1 -3  2  17 o 131.6000 0.9699000 0.2540000      1.940000  
1 1 1 -3  2  18 o 122.1000 0.9183000 -1.794000      1.837000  
1 1 1 -3  2  19 o 106.1000 0.8351000 -3.211000      1.670000  
1 1 1 -3  2  20 o 84.54000 0.7566000 -1.289000      1.513000  
1 1 1 -3  2  21 o 68.60000 0.9767000 -1.545000      1.953000  
1 1 1 -3  2  22 o 32.69000 1.161000  -0.2499000E-01 2.322000  
1 1 1 -3  2  23 o 27.41000 1.262000  -1.959000      2.523000  
1 1 1 -3  2  24 o 10.91000 2.610000  1.904000       5.219000  
1 1 1 -3  2  25 o 9.396000 2.207000  -7.121000      4.415000  
1 1 1 -3  2  26 o 5.635000 1.917000  -1.897000      3.835000  
1 1 1 -3  2  27 o 7.999000 2.314000  2.948000       4.629000  
1 1 1 -3  2  28 o 9.646000 3.964000  ?              ?         
1 1 1 -3  3  1  f 155.1000 1.348000  -1.945000      2.695000  
1 1 1 -3  3  2  o 232.4000 2.312000  0.2567000      4.624000  
1 1 1 -3  3  3  o 77.91000 0.5670000 0.5379000      1.134000  
1 1 1 -3  3  4  o 51.48000 0.4082000 0.9259000      0.8163000 
1 1 1 -3  3  5  o 44.50000 0.3931000 0.3863000      0.7861000 
1 1 1 -3  3  6  o 138.1000 0.9783000 1.010000       1.957000  
1 1 1 -3  3  7  o 380.2000 3.800000  1.419000       7.601000  
1 1 1 -3  3  8  o 144.6000 1.252000  1.771000       2.505000  
1 1 1 -3  3  9  o 93.87000 0.6942000 1.340000       1.388000  
1 1 1 -3  3  10 o 27.87000 0.7154000 1.570000       1.431000  
1 1 1 -3  3  11 o 77.79000 0.9051000 ?              ?         
1 1 1 -3  3  12 o 64.13000 0.6441000 1.563000       1.288000  
1 1 1 -3  3  13 o 44.90000 0.6636000 1.490000       1.327000  
1 1 1 -3  3  14 o 18.75000 1.260000  1.264000       2.520000  
1 1 1 -3  3  15 o 28.94000 0.9204000 2.632000       1.841000  
1 1 1 -3  3  16 o 15.67000 1.759000  3.179000       3.518000  
1 1 1 -3  3  17 o 25.46000 1.247000  1.947000       2.495000  
1 1 1 -3  3  18 o 28.95000 1.127000  1.607000       2.253000  
1 1 1 -3  3  19 o 41.38000 0.9019000 -0.2298000     1.804000  
1 1 1 -3  3  20 o 30.15000 1.205000  -0.1099000     2.411000  
1 1 1 -3  3  21 o 44.17000 0.9395000 0.9926000      1.879000  
1 1 1 -3  3  22 o 40.88000 0.9153000 -3.189000      1.831000  
1 1 1 -3  3  23 o 11.12000 2.587000  0.5100000      5.173000  
1 1 1 -3  3  24 o 33.57000 1.094000  -0.3210000     2.188000  
1 1 1 -3  3  25 o 7.946000 2.342000  -0.5874000     4.685000  
1 1 1 -3  3  26 o 11.08000 2.368000  5.264000       4.737000  
1 1 1 -3  3  27 o 10.51000 2.827000  0.7626000      5.653000  
1 1 1 -3  3  28 o 5.699000 2.772000  ?              ?         
1 1 1 -3  4  1  o 16.75000 0.4199000 -1.092000      0.8398000 
1 1 1 -3  4  2  o 34.59000 0.3235000 -1.774000      0.6470000 
1 1 1 -3  4  3  o 10.27000 0.6400000 -1.350000      1.280000  
1 1 1 -3  4  4  o 27.96000 0.3620000 -1.819000      0.7239000 
1 1 1 -3  4  5  o 49.91000 0.4215000 -0.3210000     0.8429000 
1 1 1 -3  4  6  o 68.11000 0.6267000 1.850000       1.253000  
1 1 1 -3  4  7  o 150.2000 1.064000  1.927000       2.127000  
1 1 1 -3  4  8  o 57.29000 0.5009000 1.852000       1.002000  
1 1 1 -3  4  9  o 56.24000 0.5209000 -1.417000      1.042000  
1 1 1 -3  4  10 o 29.89000 0.6450000 -0.2736000     1.290000  
1 1 1 -3  4  11 o 107.5000 0.9692000 2.074000       1.938000  
1 1 1 -3  4  12 o 44.59000 0.9576000 ?              ?         
1 1 1 -3  4  13 o 118.5000 1.001000  0.3249000      2.002000  
1 1 1 -3  4  14 o 50.33000 0.6979000 0.6355000E-01  1.396000  
1 1 1 -3  4  15 o 82.90000 0.7790000 -0.8238000     1.558000  
1 1 1 -3  4  16 o 93.46000 0.8976000 -1.285000      1.795000  
1 1 1 -3  4  17 f 174.6000 1.252000  1.369000       2.504000  
1 1 1 -3  4  18 f 84.28000 0.7353000 0.2472000      1.471000  
1 1 1 -3  4  19 o 79.80000 0.7379000 -0.3019000     1.476000  
1 1 1 -3  4  20 o 22.50000 1.595000  3.903000       3.191000  
1 1 1 -3  4  21 o 103.4000 0.8365000 -1.207000      1.673000  
1 1 1 -3  4  22 o 68.92000 0.7369000 1.931000       1.474000  
1 1 1 -3  4  23 o 31.60000 1.175000  2.404000       2.351000  
1 1 1 -3  4  24 o 17.52000 1.946000  0.4109000      3.893000  
1 1 1 -3  4  25 o 7.398000 2.294000  -0.7023000     4.587000  
1 1 1 -3  4  26 o 24.02000 1.609000  -2.348000      3.217000  
1 1 1 -3  4  27 f 13.54000 2.734000  -7.179000      5.467000  
1 1 1 -3  4  28 o 6.939000 2.241000  -4.007000      4.482000  
1 1 1 -3  5  1  o 265.6000 1.870000  -2.534000      3.740000  
1 1 1 -3  5  2  o 18.48000 0.4209000 -2.258000      0.8417000 
1 1 1 -3  5  3  o 187.9000 1.325000  -1.442000      2.650000  
1 1 1 -3  5  4  o 147.5000 1.278000  0.7731000      2.556000  
1 1 1 -3  5  5  o 115.7000 1.006000  0.9870000      2.013000  
1 1 1 -3  5  6  o 138.4000 0.9822000 -1.953000      1.964000  
1 1 1 -3  5  7  o 174.7000 1.523000  3.892000       3.046000  
1 1 1 -3  5  8  o 31.76000 0.5699000 2.034000       1.140000  
1 1 1 -3  5  9  o 12.23000 1.401000  -1.474000      2.802000  
1 1 1 -3  5  10 o 56.00000 0.5447000 0.4378000      1.089000  
1 1 1 -3  5  11 o 48.02000 0.5844000 2.059000       1.169000  
1 1 1 -3  5  12 o 44.45000 0.6509000 0.3207000      1.302000  
1 1 1 -3  5  13 o 25.86000 0.9669000 1.021000       1.934000  
1 1 1 -3  5  14 o 9.158000 2.214000  -1.867000      4.427000  
1 1 1 -3  5  15 o 74.00000 0.7502000 -1.804000      1.500000  
1 1 1 -3  5  16 o 27.56000 1.117000  1.196000       2.234000  
1 1 1 -3  5  17 o 47.84000 0.8496000 1.893000       1.699000  
1 1 1 -3  5  18 o 33.87000 1.084000  -4.461000      2.168000  
1 1 1 -3  5  19 o 24.29000 1.601000  -1.326000      3.201000  
1 1 1 -3  5  20 o 45.58000 0.8239000 2.151000       1.648000  
1 1 1 -3  5  21 o 57.96000 0.7666000 0.7904000      1.533000  
1 1 1 -3  5  22 o 30.81000 1.118000  -0.9873000     2.236000  
1 1 1 -3  5  23 o 39.94000 0.8864000 -1.385000      1.773000  
1 1 1 -3  5  24 o 24.02000 1.442000  -5.778000      2.885000  
1 1 1 -3  5  25 o 14.52000 2.263000  2.812000       4.526000  
1 1 1 -3  5  26 o 24.93000 1.783000  -1.699000      3.566000  
1 1 1 -3  5  27 o 10.55000 2.642000  7.610000       5.284000  
1 1 1 -3  5  28 o 7.326000 2.405000  0.5234000      4.810000  
1 1 1 -3  6  1  o 31.88000 0.4525000 -0.5184000     0.9050000 
1 1 1 -3  6  2  o 34.99000 0.5950000 -1.697000      1.190000  
1 1 1 -3  6  3  o 17.62000 1.054000  4.321000       2.108000  
1 1 1 -3  6  4  o 51.88000 0.4408000 -1.051000      0.8815000 
1 1 1 -3  6  5  o 36.99000 0.4373000 -0.5526000     0.8747000 
1 1 1 -3  6  6  o 56.90000 0.4934000 -0.7407000     0.9868000 
1 1 1 -3  6  7  o 95.90000 0.7085000 0.5873000      1.417000  
1 1 1 -3  6  8  o 109.9000 0.8011000 -0.1449000     1.602000  
1 1 1 -3  6  9  o 74.59000 0.6005000 1.179000       1.201000  
1 1 1 -3  6  10 o 59.35000 0.5541000 -0.1548000     1.108000  
1 1 1 -3  6  11 o 56.48000 0.5747000 -2.282000      1.149000  
1 1 1 -3  6  12 o 30.98000 0.7522000 1.518000       1.504000  
1 1 1 -3  6  13 o 69.16000 0.6964000 -1.161000      1.393000  
1 1 1 -3  6  14 o 75.32000 0.7393000 -0.6686000     1.479000  
1 1 1 -3  6  15 o 56.49000 0.7033000 0.4776000      1.407000  
1 1 1 -3  6  16 o 71.35000 0.7523000 0.9588000      1.505000  
1 1 1 -3  6  17 o 87.32000 0.8477000 -0.1289000     1.695000  
1 1 1 -3  6  18 o 109.8000 0.9701000 1.912000       1.940000  
1 1 1 -3  6  19 o 81.26000 0.8397000 2.414000       1.679000  
1 1 1 -3  6  20 o 84.29000 0.8391000 1.098000       1.678000  
1 1 1 -3  6  21 o 84.86000 0.8558000 1.261000       1.712000  
1 1 1 -3  6  22 o 26.09000 1.596000  ?              ?         
1 1 1 -3  6  23 o 8.445000 2.519000  1.131000       5.039000  
1 1 1 -3  6  24 o 12.14000 2.486000  -1.630000      4.972000  
1 1 1 -3  6  25 o 20.50000 1.842000  -1.070000      3.683000  
1 1 1 -3  6  26 o 11.75000 2.763000  -5.719000      5.526000  
1 1 1 -3  6  28 o 6.065000 2.090000  1.531000       4.179000  
1 1 1 -3  7  1  o 95.18000 0.6928000 1.285000       1.386000  
1 1 1 -3  7  2  o 148.2000 1.050000  3.733000       2.100000  
1 1 1 -3  7  3  o 87.98000 0.6495000 1.145000       1.299000  
1 1 1 -3  7  4  o 147.2000 1.045000  3.720000       2.091000  
1 1 1 -3  7  5  o 92.76000 0.6846000 -0.1513000     1.369000  
1 1 1 -3  7  6  o 99.87000 0.7311000 3.241000       1.462000  
1 1 1 -3  7  7  f 44.11000 0.5076000 -0.4167000     1.015000  
1 1 1 -3  7  8  o 83.00000 0.6394000 0.2167000      1.279000  
1 1 1 -3  7  9  f 70.79000 0.5900000 -0.5312000     1.180000  
1 1 1 -3  7  10 o 74.73000 0.6205000 0.5237000      1.241000  
1 1 1 -3  7  11 f 60.15000 0.5898000 0.9837000E-01  1.180000  
1 1 1 -3  7  12 o 50.52000 0.6115000 0.3483000      1.223000  
1 1 1 -3  7  13 o 13.90000 2.028000  -4.277000      4.055000  
1 1 1 -3  7  14 o 52.24000 0.7111000 -1.250000      1.422000  
1 1 1 -3  7  15 o 20.71000 1.518000  1.530000       3.036000  
1 1 1 -3  7  16 o 15.03000 2.080000  -6.356000      4.160000  
1 1 1 -3  7  17 o 27.22000 1.264000  0.6534000      2.528000  
1 1 1 -3  7  18 o 34.39000 1.138000  2.967000       2.276000  
1 1 1 -3  7  19 o 36.71000 1.090000  0.3557000      2.180000  
1 1 1 -3  7  20 o 11.51000 2.493000  2.180000       4.985000  
1 1 1 -3  7  21 o 14.99000 2.406000  0.3625000      4.813000  
1 1 1 -3  7  22 o 16.75000 2.169000  0.9321000      4.337000  
1 1 1 -3  7  23 o 14.68000 2.388000  3.112000       4.776000  
1 1 1 -3  7  24 o 11.62000 2.563000  2.490000       5.127000  
1 1 1 -3  7  25 o 9.552000 2.702000  3.971000       5.404000  
1 1 1 -3  7  26 o 12.96000 2.886000  3.660000       5.772000  
1 1 1 -3  7  27 o 5.540000 1.952000  0.8690000      3.903000  
1 1 1 -3  7  28 o 7.886000 2.510000  1.794000       5.019000  
1 1 1 -3  8  1  o 51.25000 0.4828000 0.4488000      0.9657000 
1 1 1 -3  8  2  o 13.64000 1.002000  1.615000       2.004000  
1 1 1 -3  8  3  o 82.10000 0.6176000 -0.3951000E-01 1.235000  
1 1 1 -3  8  4  f 83.90000 0.6333000 -2.374000      1.267000  
1 1 1 -3  8  5  o 30.10000 0.8405000 2.026000       1.681000  
1 1 1 -3  8  6  o 89.34000 0.6742000 -0.1818000     1.348000  
1 1 1 -3  8  7  o 77.33000 0.6167000 2.669000       1.233000  
1 1 1 -3  8  8  o 39.50000 0.5665000 -0.2064000     1.133000  
1 1 1 -3  8  9  o 12.01000 1.674000  -5.165000      3.349000  
1 1 1 -3  8  10 o 195.7000 1.388000  0.8116000E-01  2.776000  
1 1 1 -3  8  11 o 103.3000 0.7839000 1.992000       1.568000  
1 1 1 -3  8  12 o 29.36000 0.8737000 -1.828000      1.747000  
1 1 1 -3  8  13 o 52.65000 0.7377000 -2.330000      1.475000  
1 1 1 -3  8  14 o 32.29000 0.9481000 -0.5480000     1.896000  
1 1 1 -3  8  15 o 47.24000 0.7912000 0.1080000E-02  1.582000  
1 1 1 -3  8  16 o 8.942000 2.270000  -7.611000      4.540000  
1 1 1 -3  8  17 o 14.38000 2.264000  5.015000       4.528000  
1 1 1 -3  8  18 o 14.25000 2.400000  1.834000       4.799000  
1 1 1 -3  8  19 o 44.19000 0.8522000 -1.470000      1.704000  
1 1 1 -3  8  20 o 30.54000 1.155000  1.326000       2.310000  
1 1 1 -3  8  21 o 7.902000 2.404000  -0.7657000     4.809000  
1 1 1 -3  8  22 o 23.28000 1.475000  0.3301000      2.951000  
1 1 1 -3  8  23 o 14.41000 2.455000  3.467000       4.911000  
1 1 1 -3  8  24 o 9.091000 2.471000  -5.848000      4.941000  
1 1 1 -3  8  25 o 11.05000 2.861000  -0.8318000     5.721000  
1 1 1 -3  8  26 o 9.166000 2.735000  -0.1412000     5.471000  
1 1 1 -3  8  27 o 5.920000 2.056000  -1.099000      4.113000  
1 1 1 -3  8  28 o 7.569000 2.447000  1.986000       4.895000  
1 1 1 -3  9  1  o 94.86000 0.7012000 -0.7838000     1.402000  
1 1 1 -3  9  2  o 104.1000 0.7608000 1.298000       1.522000  
1 1 1 -3  9  3  o 87.03000 0.6555000 -1.660000      1.311000  
1 1 1 -3  9  4  o 176.5000 1.250000  -1.850000      2.500000  
1 1 1 -3  9  5  o 37.46000 0.5488000 -1.171000      1.098000  
1 1 1 -3  9  6  o 108.4000 0.7957000 -0.3416000     1.591000  
1 1 1 -3  9  7  o 102.7000 0.7661000 1.522000       1.532000  
1 1 1 -3  9  8  o 104.2000 0.7770000 0.5525000      1.554000  
1 1 1 -3  9  9  o 47.90000 0.6029000 2.962000       1.206000  
1 1 1 -3  9  10 o 92.19000 0.7235000 0.8797000      1.447000  
1 1 1 -3  9  11 o 122.1000 0.9008000 0.4360000      1.802000  
1 1 1 -3  9  12 o 44.34000 0.6955000 -0.1432000     1.391000  
1 1 1 -3  9  13 o 30.51000 0.9311000 -0.7988000     1.862000  
1 1 1 -3  9  14 o 35.05000 0.8918000 -2.210000      1.784000  
1 1 1 -3  9  15 o 23.37000 1.342000  -1.530000      2.683000  
1 1 1 -3  9  16 o 12.88000 2.312000  4.900000       4.624000  
1 1 1 -3  9  17 o 20.10000 1.701000  -5.323000      3.402000  
1 1 1 -3  9  18 o 11.36000 2.577000  -0.7546000     5.154000  
1 1 1 -3  9  19 o 17.47000 1.914000  -1.204000      3.828000  
1 1 1 -3  9  20 o 15.60000 2.236000  1.344000       4.473000  
1 1 1 -3  9  21 o 7.813000 2.396000  -3.259000      4.791000  
1 1 1 -3  9  22 o 19.12000 2.068000  4.585000       4.136000  
1 1 1 -3  9  23 o 21.88000 1.679000  -0.4779000     3.358000  
1 1 1 -3  9  24 o 13.08000 2.883000  -1.313000      5.765000  
1 1 1 -3  9  25 o 13.75000 2.777000  -1.610000      5.555000  
1 1 1 -3  9  26 o 12.26000 2.942000  1.880000       5.883000  
1 1 1 -3  9  27 o 7.245000 2.398000  1.553000       4.796000  
1 1 1 -3  9  28 o 8.968000 3.795000  ?              ?         
1 1 1 -3  10 1  o 15.18000 1.179000  -0.3538000E-03 2.358000  
1 1 1 -3  10 2  o 6.143000 1.753000  1.283000       3.505000  
1 1 1 -3  10 3  o 26.48000 0.6821000 0.2856000      1.364000  
1 1 1 -3  10 4  o 54.41000 0.5394000 0.2297000      1.079000  
1 1 1 -3  10 5  f 58.70000 0.5531000 -1.240000      1.106000  
1 1 1 -3  10 6  o 65.04000 0.5783000 -0.8151000     1.157000  
1 1 1 -3  10 7  o 71.00000 0.6083000 0.1339000      1.217000  
1 1 1 -3  10 8  o 60.36000 0.5939000 -1.810000      1.188000  
1 1 1 -3  10 9  o 16.02000 1.469000  -2.948000      2.937000  
1 1 1 -3  10 10 o 45.13000 0.6562000 2.027000       1.312000  
1 1 1 -3  10 11 o 113.3000 0.8536000 0.5001000E-01  1.707000  
1 1 1 -3  10 12 o 75.50000 0.6887000 -0.7984000     1.377000  
1 1 1 -3  10 13 o 14.01000 2.101000  2.441000       4.202000  
1 1 1 -3  10 14 o 69.19000 0.7057000 2.060000       1.411000  
1 1 1 -3  10 15 o 8.275000 2.359000  -1.577000      4.717000  
1 1 1 -3  10 16 o 19.79000 1.674000  -0.6078000     3.347000  
1 1 1 -3  10 17 o 23.39000 1.399000  -0.7881000     2.798000  
1 1 1 -3  10 18 o 70.56000 0.7760000 1.565000       1.552000  
1 1 1 -3  10 19 o 36.99000 0.9576000 0.3899000      1.915000  
1 1 1 -3  10 20 o 10.39000 2.451000  -5.555000      4.903000  
1 1 1 -3  10 21 o 8.060000 2.328000  1.678000       4.656000  
1 1 1 -3  10 22 o 7.492000 2.347000  0.2989000      4.694000  
1 1 1 -3  10 23 o 8.751000 2.541000  3.359000       5.082000  
1 1 1 -3  10 24 o 6.959000 2.222000  3.817000       4.445000  
1 1 1 -3  10 25 o 7.670000 2.481000  -1.368000      4.961000  
1 1 1 -3  10 26 o 7.652000 2.474000  1.728000       4.948000  
1 1 1 -3  10 27 f 7.743000 2.502000  3.157000       5.003000  
1 1 1 -3  11 1  o 16.58000 1.235000  3.615000       2.469000  
1 1 1 -3  11 2  o 108.8000 1.137000  0.4046000      2.273000  
1 1 1 -3  11 3  o 50.67000 0.5566000 0.6987000      1.113000  
1 1 1 -3  11 4  o 41.25000 0.5930000 0.7604000      1.186000  
1 1 1 -3  11 5  o 121.4000 1.097000  -1.407000      2.194000  
1 1 1 -3  11 6  o 38.45000 0.8859000 0.5571000      1.772000  
1 1 1 -3  11 7  o 25.40000 0.8457000 -0.2816000     1.691000  
1 1 1 -3  11 8  o 22.96000 0.9651000 0.5700000      1.930000  
1 1 1 -3  11 9  o 33.01000 0.7917000 -0.4871000     1.583000  
1 1 1 -3  11 10 o 22.97000 1.092000  0.7757000      2.184000  
1 1 1 -3  11 11 o 50.44000 0.6817000 -0.8241000     1.363000  
1 1 1 -3  11 12 f 33.73000 0.9033000 0.5783000      1.807000  
1 1 1 -3  11 13 o 48.33000 0.7459000 0.4139000      1.492000  
1 1 1 -3  11 14 o 30.40000 1.025000  3.229000       2.050000  
1 1 1 -3  11 15 o 9.172000 2.445000  -0.2711000     4.889000  
1 1 1 -3  11 16 o 14.13000 2.289000  6.021000       4.578000  
1 1 1 -3  11 17 o 11.90000 2.358000  3.792000       4.717000  
1 1 1 -3  11 18 o 8.005000 2.113000  4.650000       4.227000  
1 1 1 -3  11 19 o 17.47000 1.891000  -4.540000      3.781000  
1 1 1 -3  11 20 o 16.72000 1.993000  -0.9211000     3.986000  
1 1 1 -3  11 21 o 8.732000 2.406000  -0.6521000     4.811000  
1 1 1 -3  11 22 o 8.771000 2.551000  0.4164000      5.101000  
1 1 1 -3  11 23 o 8.029000 2.419000  -2.829000      4.837000  
1 1 1 -3  11 24 o 7.414000 2.370000  1.969000       4.740000  
1 1 1 -3  11 25 o 8.138000 2.555000  -3.032000      5.109000  
1 1 1 -3  11 26 o 6.115000 2.110000  -0.2394000     4.220000  
1 1 1 -3  12 1  o 44.33000 0.6090000 3.206000       1.218000  
1 1 1 -3  12 2  o 18.41000 1.185000  -0.5979000     2.371000  
1 1 1 -3  12 3  o 40.06000 0.6294000 0.6320000      1.259000  
1 1 1 -3  12 4  o 39.11000 0.6236000 0.4961000E-01  1.247000  
1 1 1 -3  12 5  o 50.58000 0.6063000 -0.3461000E-01 1.213000  
1 1 1 -3  12 6  o 24.78000 0.9504000 2.245000       1.901000  
1 1 1 -3  12 7  o 15.78000 1.645000  -5.909000      3.290000  
1 1 1 -3  12 8  o 16.06000 1.580000  -1.363000      3.161000  
1 1 1 -3  12 9  o 46.01000 0.6783000 -0.6496000     1.357000  
1 1 1 -3  12 10 o 66.93000 0.6697000 -1.113000      1.339000  
1 1 1 -3  12 11 o 10.45000 2.209000  -4.894000      4.418000  
1 1 1 -3  12 12 o 53.73000 0.7023000 -0.1761000E-01 1.405000  
1 1 1 -3  12 13 o 33.00000 0.9570000 2.034000       1.914000  
1 1 1 -3  12 14 o 45.55000 0.7630000 -0.3097000     1.526000  
1 1 1 -3  12 15 o 37.42000 0.8616000 -0.3550000     1.723000  
1 1 1 -3  12 16 o 11.93000 2.276000  0.7076000      4.553000  
1 1 1 -3  12 17 o 24.16000 1.314000  -3.811000      2.628000  
1 1 1 -3  12 18 o 20.33000 1.570000  -0.3275000     3.140000  
1 1 1 -3  12 19 o 13.41000 2.212000  -9.311000      4.423000  
1 1 1 -3  12 20 o 12.98000 2.382000  -3.776000      4.765000  
1 1 1 -3  12 21 f 9.416000 2.696000  -0.8026000     5.391000  
1 1 1 -3  12 22 o 6.434000 2.177000  -0.8945000     4.355000  
1 1 1 -3  12 23 o 10.77000 2.865000  1.469000       5.729000  
1 1 1 -3  12 24 o 6.668000 2.239000  -0.4047000E-01 4.478000  
1 1 1 -3  12 25 o 7.809000 2.516000  0.7876000      5.031000  
1 1 1 -3  13 1  o 65.04000 0.6108000 -0.8049000     1.222000  
1 1 1 -3  13 2  o 45.46000 0.6435000 -2.136000      1.287000  
1 1 1 -3  13 3  o 50.52000 0.6082000 0.6437000      1.216000  
1 1 1 -3  13 4  o 64.72000 0.6101000 -0.6178000     1.220000  
1 1 1 -3  13 5  o 52.68000 0.6393000 1.522000       1.279000  
1 1 1 -3  13 6  o 44.64000 0.6779000 -1.310000      1.356000  
1 1 1 -3  13 7  o 46.57000 0.6745000 1.156000       1.349000  
1 1 1 -3  13 8  o 57.69000 0.6463000 -1.162000      1.293000  
1 1 1 -3  13 9  o 10.65000 2.237000  1.504000       4.474000  
1 1 1 -3  13 10 o 33.88000 0.8172000 -0.7784000     1.634000  
1 1 1 -3  13 11 f 23.92000 1.143000  -0.6205000     2.285000  
1 1 1 -3  13 12 o 16.63000 1.787000  2.869000       3.573000  
1 1 1 -3  13 13 o 13.05000 2.183000  1.076000       4.366000  
1 1 1 -3  13 14 o 15.42000 1.947000  4.561000       3.895000  
1 1 1 -3  13 15 o 9.054000 2.389000  0.6636000      4.778000  
1 1 1 -3  13 16 o 8.479000 2.258000  -3.685000      4.516000  
1 1 1 -3  13 17 o 14.20000 2.086000  3.772000       4.171000  
1 1 1 -3  13 18 o 9.643000 2.467000  -2.345000      4.934000  
1 1 1 -3  13 19 o 7.693000 2.291000  0.5606000      4.582000  
1 1 1 -3  13 20 o 11.03000 2.501000  8.046000       5.003000  
1 1 1 -3  13 21 o 6.895000 2.250000  -2.773000      4.500000  
1 1 1 -3  13 22 o 6.122000 2.094000  0.1979000      4.187000  
1 1 1 -3  13 23 o 6.708000 2.258000  1.579000       4.516000  
1 1 1 -3  13 24 o 6.845000 2.299000  -0.2223000     4.598000  
1 1 1 -3  14 1  o 54.77000 0.6400000 0.8951000      1.280000  
1 1 1 -3  14 2  o 47.25000 0.6648000 -1.631000      1.330000  
1 1 1 -3  14 3  o 22.60000 1.122000  1.392000       2.244000  
1 1 1 -3  14 4  o 12.49000 1.976000  2.452000       3.953000  
1 1 1 -3  14 5  o 53.46000 0.7724000 2.097000       1.545000  
1 1 1 -3  14 6  o 30.02000 0.9005000 -1.009000      1.801000  
1 1 1 -3  14 7  o 53.41000 0.6490000 0.1601000      1.298000  
1 1 1 -3  14 8  o 52.08000 0.6470000 0.4793000      1.294000  
1 1 1 -3  14 9  o 21.83000 1.242000  -2.582000      2.483000  
1 1 1 -3  14 10 o 18.98000 1.577000  -8.436000      3.154000  
1 1 1 -3  14 11 o 16.92000 1.533000  -1.626000      3.065000  
1 1 1 -3  14 12 o 6.842000 2.040000  3.353000       4.080000  
1 1 1 -3  14 13 o 26.32000 1.060000  3.051000       2.121000  
1 1 1 -3  14 14 o 43.36000 0.7476000 2.616000       1.495000  
1 1 1 -3  14 15 o 21.55000 1.337000  -2.853000      2.674000  
1 1 1 -3  14 16 o 24.84000 1.177000  1.683000       2.355000  
1 1 1 -3  14 17 o 17.08000 1.805000  0.4683000E-01  3.611000  
1 1 1 -3  14 18 o 15.29000 2.390000  -4.774000      4.780000  
1 1 1 -3  14 19 o 10.23000 2.781000  -2.952000      5.562000  
1 1 1 -3  14 20 o 7.315000 2.359000  0.3492000      4.718000  
1 1 1 -3  14 21 o 7.616000 2.409000  2.647000       4.818000  
1 1 1 -3  14 22 o 8.541000 2.612000  -1.999000      5.224000  
1 1 1 -3  14 23 o 10.22000 2.712000  4.402000       5.423000  
1 1 1 -3  15 1  o 30.98000 0.8360000 -1.604000      1.672000  
1 1 1 -3  15 2  o 10.73000 2.047000  5.208000       4.094000  
1 1 1 -3  15 3  o 23.14000 1.131000  -0.2351000     2.262000  
1 1 1 -3  15 4  o 29.66000 0.8499000 -1.127000      1.700000  
1 1 1 -3  15 5  o 32.13000 0.8592000 -1.583000      1.718000  
1 1 1 -3  15 6  o 29.18000 0.9017000 -2.517000      1.803000  
1 1 1 -3  15 7  o 37.35000 0.7386000 3.152000       1.477000  
1 1 1 -3  15 8  o 21.32000 1.199000  -1.729000      2.398000  
1 1 1 -3  15 9  o 29.69000 0.8654000 -1.525000      1.731000  
1 1 1 -3  15 10 o 13.82000 1.946000  1.817000       3.892000  
1 1 1 -3  15 11 o 9.189000 2.376000  0.6559000      4.752000  
1 1 1 -3  15 12 o 14.25000 1.827000  0.3925000      3.654000  
1 1 1 -3  15 13 o 18.81000 1.458000  -1.774000      2.916000  
1 1 1 -3  15 14 o 20.73000 1.433000  -3.778000      2.866000  
1 1 1 -3  15 15 o 9.187000 2.427000  0.2499000      4.854000  
1 1 1 -3  15 16 o 11.78000 2.252000  -5.840000      4.504000  
1 1 1 -3  15 17 o 7.860000 2.505000  0.1158000      5.011000  
1 1 1 -3  15 18 o 15.25000 2.663000  -6.580000      5.325000  
1 1 1 -3  15 19 o 9.613000 2.732000  -0.1751000     5.463000  
1 1 1 -3  15 20 o 5.030000 1.791000  -0.9288000     3.581000  
1 1 1 -3  15 21 o 7.303000 2.381000  1.741000       4.761000  
1 1 1 -3  15 22 f 7.355000 2.401000  2.090000       4.803000  
1 1 1 -3  16 1  o 6.493000 1.997000  -0.2381000     3.994000  
1 1 1 -3  16 2  o 20.23000 1.226000  -0.4834000     2.452000  
1 1 1 -3  16 3  o 17.55000 1.423000  1.144000       2.845000  
1 1 1 -3  16 4  o 13.51000 1.799000  0.3456000      3.597000  
1 1 1 -3  16 5  o 7.187000 2.015000  3.580000       4.031000  
1 1 1 -3  16 6  o 10.97000 2.115000  -2.703000      4.230000  
1 1 1 -3  16 7  o 19.62000 1.310000  -3.449000      2.619000  
1 1 1 -3  16 8  o 19.70000 1.312000  0.2259000      2.625000  
1 1 1 -3  16 9  o 16.07000 1.729000  -3.951000      3.458000  
1 1 1 -3  16 10 o 38.07000 0.7779000 0.5203000      1.556000  
1 1 1 -3  16 11 o 28.07000 0.9978000 1.380000       1.996000  
1 1 1 -3  16 12 o 17.42000 1.621000  -1.749000      3.242000  
1 1 1 -3  16 13 o 18.94000 1.535000  -3.764000      3.069000  
1 1 1 -3  16 14 o 20.68000 1.428000  0.3195000      2.855000  
1 1 1 -3  16 15 o 12.87000 2.489000  1.576000       4.978000  
1 1 1 -3  16 17 o 8.228000 2.561000  -0.6474000     5.122000  
1 1 1 -3  16 18 o 6.303000 2.156000  0.8683000E-01  4.311000  
1 1 1 -3  16 19 o 6.990000 2.317000  -1.230000      4.634000  
1 1 1 -3  16 20 o 7.195000 2.355000  -1.742000      4.710000  
1 1 1 -3  16 21 o 5.781000 2.008000  1.251000       4.015000  
1 1 1 -3  17 1  o 23.47000 1.134000  -4.764000      2.268000  
1 1 1 -3  17 2  o 14.48000 1.815000  -0.1590000     3.629000  
1 1 1 -3  17 3  o 12.23000 2.047000  0.9045000      4.094000  
1 1 1 -3  17 4  o 20.04000 1.231000  0.8316000      2.462000  
1 1 1 -3  17 5  o 13.46000 1.922000  -2.323000      3.844000  
1 1 1 -3  17 6  o 19.19000 1.491000  -7.535000      2.983000  
1 1 1 -3  17 7  o 21.42000 1.278000  -2.819000      2.556000  
1 1 1 -3  17 8  o 21.42000 1.230000  1.529000       2.460000  
1 1 1 -3  17 9  o 14.20000 2.021000  -4.280000      4.041000  
1 1 1 -3  17 10 o 16.88000 1.670000  -0.5214000     3.340000  
1 1 1 -3  17 11 o 9.854000 2.355000  0.7208000      4.710000  
1 1 1 -3  17 12 o 13.61000 2.205000  -2.155000      4.410000  
1 1 1 -3  17 13 o 5.262000 1.808000  0.7207000      3.615000  
1 1 1 -3  17 14 o 9.505000 2.663000  0.4383000E-01  5.326000  
1 1 1 -3  17 15 o 5.747000 1.994000  0.1533000      3.988000  
1 1 1 -3  17 16 o 8.655000 2.628000  -0.4570000     5.255000  
1 1 1 -3  17 17 o 6.542000 2.202000  -0.7229000     4.403000  
1 1 1 -3  17 18 o 5.717000 1.989000  1.345000       3.977000  
1 1 1 -3  17 19 o 6.504000 2.198000  -2.726000      4.395000  
1 1 1 -3  18 1  o 17.61000 1.653000  -7.142000      3.307000  
1 1 1 -3  18 2  f 10.57000 2.194000  4.969000       4.387000  
1 1 1 -3  18 3  o 6.407000 2.007000  -1.572000      4.015000  
1 1 1 -3  18 4  o 14.07000 1.985000  -4.247000      3.970000  
1 1 1 -3  18 5  o 20.97000 1.357000  2.985000       2.715000  
1 1 1 -3  18 6  o 7.180000 2.155000  1.765000       4.309000  
1 1 1 -3  18 7  o 12.50000 2.024000  -8.697000      4.048000  
1 1 1 -3  18 8  o 6.849000 2.160000  1.436000       4.320000  
1 1 1 -3  18 9  o 5.472000 1.845000  -1.028000      3.689000  
1 1 1 -3  18 10 o 8.149000 2.330000  0.3012000      4.659000  
1 1 1 -3  18 11 o 7.219000 2.201000  2.680000       4.403000  
1 1 1 -3  18 12 f 10.92000 2.371000  -5.390000      4.741000  
1 1 1 -3  18 13 o 9.586000 2.704000  0.9564000E-01  5.407000  
1 1 1 -3  18 14 o 12.53000 2.735000  -3.066000      5.469000  
1 1 1 -3  18 15 o 9.146000 2.649000  2.056000       5.298000  
1 1 1 -3  18 16 o 11.29000 2.836000  0.7939000      5.672000  
1 1 1 -3  18 17 o 8.136000 2.539000  0.8980000      5.078000  
1 1 1 -3  19 1  o 21.03000 1.453000  -0.3252000     2.905000  
1 1 1 -3  19 2  o 10.37000 2.396000  -3.033000      4.792000  
1 1 1 -3  19 3  o 11.11000 2.391000  -3.071000      4.781000  
1 1 1 -3  19 4  o 9.963000 2.450000  -2.035000      4.899000  
1 1 1 -3  19 5  o 8.905000 2.365000  4.694000       4.730000  
1 1 1 -3  19 6  o 17.29000 1.895000  -0.3541000     3.791000  
1 1 1 -3  19 7  o 13.47000 2.359000  -3.187000      4.718000  
1 1 1 -3  19 8  o 8.317000 2.343000  3.761000       4.686000  
1 1 1 -3  19 9  o 6.620000 2.135000  -0.9147000     4.270000  
1 1 1 -3  19 10 o 7.940000 2.436000  -4.270000      4.873000  
1 1 1 -3  19 11 o 8.568000 2.598000  -3.530000      5.196000  
1 1 1 -3  19 12 o 7.834000 2.473000  -2.341000      4.946000  
1 1 1 -3  19 13 o 9.142000 2.602000  3.261000       5.205000  
1 1 1 -3  19 14 o 5.682000 1.978000  -1.527000      3.955000  
1 1 1 -3  20 1  o 7.011000 2.234000  -1.427000      4.468000  
1 1 1 -3  20 2  o 6.401000 2.100000  1.632000       4.200000  
1 1 1 -3  20 3  o 10.41000 2.614000  1.231000       5.228000  
1 1 1 -3  20 4  o 12.16000 2.294000  10.14000       4.589000  
1 1 1 -3  20 5  o 6.347000 2.122000  0.4803000      4.243000  
1 1 1 -3  20 6  o 5.663000 1.950000  0.4536000      3.900000  
1 1 1 -3  20 7  o 10.17000 2.700000  -1.554000      5.400000  
1 1 1 -3  20 8  o 8.959000 2.606000  -4.024000      5.212000  
1 1 1 -3  20 9  o 7.167000 2.365000  -0.3171000     4.731000  
1 1 1 -3  20 11 o 7.342000 2.411000  -1.542000      4.822000  
1 1 1 -3  21 1  o 17.39000 2.500000  -0.5030000     4.999000  
1 1 1 -3  21 2  o 22.72000 1.847000  0.9437000      3.693000  
1 1 1 -3  21 3  o 9.290000 2.776000  -2.850000      5.553000  
1 1 1 -3  21 4  o 11.30000 2.989000  -2.767000      5.977000  
1 1 1 -3  21 5  o 20.15000 2.465000  -5.482000      4.931000  
1 1 1 -3  21 6  o 6.841000 2.305000  -1.505000      4.610000  
1 1 1 -3  21 7  o 5.892000 2.068000  -0.3832000     4.136000  
1 1 1 -2  0  2  o 24.41000 0.4976000 -0.000000      0.000000  
1 1 1 -2  0  5  o 64.03000 0.6778000 -0.000000      0.000000  
1 1 1 -2  0  6  o 21.27000 0.7252000 -0.000000      0.000000  
1 1 1 -2  0  7  o 30.09000 0.6261000 -0.000000      0.000000  
1 1 1 -2  0  8  o 15.80000 1.119000  -0.000000      0.000000  
1 1 1 -2  0  9  o 3.891000 2.391000  -0.000000      0.000000  
1 1 1 -2  0  10 o 13.30000 1.577000  -0.000000      0.000000  
1 1 1 -2  0  11 o 2.562000 1.849000  -0.000000      0.000000  
1 1 1 -2  0  12 o 39.65000 0.8297000 -0.000000      0.000000  
1 1 1 -2  0  13 o 52.25000 0.8028000 -0.000000      0.000000  
1 1 1 -2  0  14 o 152.8000 1.549000  -0.000000      0.000000  
1 1 1 -2  0  15 o 5.880000 3.523000  -0.000000      0.000000  
1 1 1 -2  0  16 o 19.84000 1.975000  -0.000000      0.000000  
1 1 1 -2  0  17 o 68.80000 0.9607000 -0.000000      0.000000  
1 1 1 -2  0  18 o 195.0000 1.969000  -0.000000      0.000000  
1 1 1 -2  0  19 o 3.204000 2.349000  -0.000000      0.000000  
1 1 1 -2  0  20 o 186.6000 1.896000  -0.000000      0.000000  
1 1 1 -2  0  21 o 38.75000 1.432000  0.000000       0.000000  
1 1 1 -2  0  22 o 52.36000 1.171000  -0.000000      0.000000  
1 1 1 -2  0  23 o 29.05000 1.863000  -0.000000      0.000000  
1 1 1 -2  0  24 o 5.077000 3.423000  -0.000000      0.000000  
1 1 1 -2  0  25 o 29.41000 1.783000  -0.000000      0.000000  
1 1 1 -2  0  26 o 5.342000 3.500000  -0.000000      0.000000  
1 1 1 -2  0  27 o 4.293000 2.976000  -0.000000      0.000000  
1 1 1 -2  1  3  o 189.3000 1.881000  -4.550000      3.763000  
1 1 1 -2  1  4  o 182.1000 1.279000  1.167000       2.559000  
1 1 1 -2  1  5  o 199.5000 1.402000  4.338000       2.803000  
1 1 1 -2  1  7  o 109.4000 0.7822000 0.5022000E-01  1.564000  
1 1 1 -2  1  8  o 98.98000 0.7172000 -0.5304000     1.434000  
1 1 1 -2  1  9  o 53.98000 0.4769000 0.8350000      0.9537000 
1 1 1 -2  1  10 o 117.4000 0.8434000 2.146000       1.687000  
1 1 1 -2  1  11 o 52.13000 0.5243000 1.235000       1.049000  
1 1 1 -2  1  12 f 28.25000 0.7545000 -1.764000      1.509000  
1 1 1 -2  1  13 o 35.17000 0.6894000 -2.642000      1.379000  
1 1 1 -2  1  14 o 158.3000 1.132000  0.1758000      2.264000  
1 1 1 -2  1  15 o 67.05000 0.6313000 0.1751000      1.263000  
1 1 1 -2  1  16 o 38.29000 0.7859000 1.453000       1.572000  
1 1 1 -2  1  17 o 28.49000 1.042000  2.675000       2.084000  
1 1 1 -2  1  18 o 10.54000 2.457000  -3.133000      4.915000  
1 1 1 -2  1  19 o 43.65000 0.8615000 0.1198000      1.723000  
1 1 1 -2  1  20 o 47.09000 0.8579000 -3.525000      1.716000  
1 1 1 -2  1  21 o 23.81000 1.568000  0.5564000      3.136000  
1 1 1 -2  1  22 o 11.75000 2.354000  -8.497000      4.708000  
1 1 1 -2  1  23 o 24.59000 1.501000  -2.236000      3.001000  
1 1 1 -2  1  24 o 10.63000 2.564000  -1.718000      5.128000  
1 1 1 -2  1  25 o 9.030000 2.454000  -3.316000      4.908000  
1 1 1 -2  1  26 o 9.740000 2.190000  8.159000       4.380000  
1 1 1 -2  1  27 o 8.156000 2.557000  3.299000       5.113000  
1 1 1 -2  2  1  o 100.5000 1.008000  -1.342000      2.016000  
1 1 1 -2  2  2  o 69.41000 0.5028000 -0.2218000     1.006000  
1 1 1 -2  2  3  o 18.06000 0.3479000 0.5044000      0.6959000 
1 1 1 -2  2  4  o 28.78000 0.3319000 0.3897000      0.6637000 
1 1 1 -2  2  5  o 38.80000 0.3775000 -0.4065000     0.7549000 
1 1 1 -2  2  6  o 29.61000 0.4271000 -0.1786000     0.8543000 
1 1 1 -2  2  7  o 52.75000 0.5082000 1.082000       1.016000  
1 1 1 -2  2  8  o 52.47000 0.5465000 -1.066000      1.093000  
1 1 1 -2  2  9  o 25.67000 0.6958000 -0.4099000     1.392000  
1 1 1 -2  2  10 o 25.85000 0.6487000 -0.3029000     1.297000  
1 1 1 -2  2  11 o 19.90000 0.9773000 2.300000       1.955000  
1 1 1 -2  2  12 o 46.65000 0.5549000 0.4353000      1.110000  
1 1 1 -2  2  13 o 30.57000 1.005000  3.007000       2.011000  
1 1 1 -2  2  14 f 120.7000 0.8865000 1.395000       1.773000  
1 1 1 -2  2  15 f 67.54000 0.6355000 3.607000       1.271000  
1 1 1 -2  2  16 o 35.35000 0.7991000 2.043000       1.598000  
1 1 1 -2  2  17 o 126.7000 0.9399000 1.413000       1.880000  
1 1 1 -2  2  18 o 38.28000 0.8960000 0.9277000      1.792000  
1 1 1 -2  2  19 o 229.5000 1.632000  0.9804000      3.264000  
1 1 1 -2  2  21 o 193.7000 1.395000  0.1874000E-01  2.789000  
1 1 1 -2  2  22 o 82.07000 0.7624000 -2.150000      1.525000  
1 1 1 -2  2  23 o 37.51000 0.9866000 -1.040000      1.973000  
1 1 1 -2  2  24 o 36.22000 1.013000  -0.4825000     2.025000  
1 1 1 -2  2  25 o 12.90000 2.438000  -5.049000      4.876000  
1 1 1 -2  2  26 o 14.56000 2.279000  7.775000       4.557000  
1 1 1 -2  2  27 o 11.23000 3.018000  2.720000       6.036000  
1 1 1 -2  3  1  o 45.59000 0.3589000 -0.7156000     0.7177000 
1 1 1 -2  3  2  o 202.1000 2.010000  -1.477000      4.019000  
1 1 1 -2  3  3  o 140.8000 0.9932000 0.7529000      1.986000  
1 1 1 -2  3  4  o 115.4000 0.8183000 -0.2277000E-01 1.637000  
1 1 1 -2  3  5  o 124.5000 0.8833000 -0.7369000     1.767000  
1 1 1 -2  3  6  o 51.92000 0.4398000 1.287000       0.8797000 
1 1 1 -2  3  7  o 28.82000 0.4815000 0.7379000      0.9630000 
1 1 1 -2  3  8  o 154.9000 1.268000  -1.118000      2.536000  
1 1 1 -2  3  9  o 49.64000 0.5302000 0.6552000      1.060000  
1 1 1 -2  3  10 o 118.6000 0.9902000 -2.296000      1.980000  
1 1 1 -2  3  11 f 31.56000 0.6623000 0.4048000      1.325000  
1 1 1 -2  3  12 o 68.06000 0.5811000 0.3147000      1.162000  
1 1 1 -2  3  13 o 82.58000 0.6616000 -0.3189000     1.323000  
1 1 1 -2  3  14 o 25.83000 0.9495000 -0.5103000     1.899000  
1 1 1 -2  3  15 o 60.22000 0.6323000 1.215000       1.265000  
1 1 1 -2  3  16 o 127.9000 0.9424000 0.8147000      1.885000  
1 1 1 -2  3  17 o 59.69000 0.6913000 0.2920000      1.383000  
1 1 1 -2  3  18 f 7.531000 2.311000  -1.306000      4.621000  
1 1 1 -2  3  19 o 58.48000 0.7381000 -0.8300000     1.476000  
1 1 1 -2  3  20 o 27.15000 1.349000  4.213000       2.698000  
1 1 1 -2  3  21 o 33.42000 1.169000  -3.164000      2.338000  
1 1 1 -2  3  22 f 51.46000 0.8259000 -0.2266000     1.652000  
1 1 1 -2  3  23 o 7.878000 2.415000  0.2379000      4.831000  
1 1 1 -2  3  24 o 10.48000 2.491000  3.614000       4.982000  
1 1 1 -2  3  25 o 11.26000 2.528000  0.7776000      5.057000  
1 1 1 -2  3  26 o 9.358000 2.206000  6.514000       4.412000  
1 1 1 -2  3  27 o 8.359000 2.640000  -0.2937000     5.281000  
1 1 1 -2  4  1  o 43.71000 0.3643000 -0.7919000     0.7286000 
1 1 1 -2  4  2  o 28.41000 0.3268000 -0.2736000     0.6536000 
1 1 1 -2  4  3  o 38.01000 0.3618000 0.1142000      0.7235000 
1 1 1 -2  4  4  o 20.11000 0.4862000 0.6304000E-01  0.9724000 
1 1 1 -2  4  5  o 7.344000 1.326000  1.128000       2.652000  
1 1 1 -2  4  6  o 19.74000 0.6047000 -0.4886000     1.209000  
1 1 1 -2  4  7  o 19.45000 0.6584000 -0.9809000     1.317000  
1 1 1 -2  4  8  o 18.93000 0.9024000 0.8899000      1.805000  
1 1 1 -2  4  9  o 46.77000 0.5714000 -0.8972000     1.143000  
1 1 1 -2  4  10 o 70.90000 0.6561000 0.6312000      1.312000  
1 1 1 -2  4  11 f 42.69000 0.6466000 0.8196000      1.293000  
1 1 1 -2  4  12 o 33.78000 0.7436000 0.5329000      1.487000  
1 1 1 -2  4  13 o 71.11000 0.6105000 1.023000       1.221000  
1 1 1 -2  4  14 o 75.77000 0.6374000 1.780000       1.275000  
1 1 1 -2  4  15 o 139.1000 1.010000  1.329000       2.019000  
1 1 1 -2  4  16 o 164.3000 1.179000  0.4645000      2.359000  
1 1 1 -2  4  17 o 93.84000 0.9469000 -1.075000      1.894000  
1 1 1 -2  4  18 o 163.6000 1.184000  0.2384000      2.369000  
1 1 1 -2  4  20 o 216.5000 1.548000  1.341000       3.096000  
1 1 1 -2  4  21 o 111.2000 0.8790000 -0.2519000     1.758000  
1 1 1 -2  4  22 o 47.52000 0.8087000 0.4251000      1.617000  
1 1 1 -2  4  23 o 21.01000 1.661000  3.289000       3.322000  
1 1 1 -2  4  24 o 18.61000 1.878000  -5.948000      3.755000  
1 1 1 -2  4  25 o 18.64000 1.710000  1.553000       3.421000  
1 1 1 -2  4  26 o 9.065000 2.597000  -0.2704000     5.193000  
1 1 1 -2  4  27 o 12.79000 2.919000  -2.036000      5.838000  
1 1 1 -2  5  1  o 44.16000 0.3858000 -0.8439000     0.7716000 
1 1 1 -2  5  2  f 93.95000 0.6737000 2.789000       1.347000  
1 1 1 -2  5  3  o 116.5000 0.8279000 -1.692000      1.656000  
1 1 1 -2  5  4  o 127.0000 0.9015000 -0.2812000E-01 1.803000  
1 1 1 -2  5  5  o 30.53000 0.4366000 -2.772000      0.8732000 
1 1 1 -2  5  6  o 48.17000 0.5227000 -1.495000      1.045000  
1 1 1 -2  5  7  o 51.37000 0.4720000 0.4850000E-01  0.9440000 
1 1 1 -2  5  8  o 90.78000 0.6784000 -2.846000      1.357000  
1 1 1 -2  5  9  o 12.26000 1.432000  -0.1804000E-02 2.864000  
1 1 1 -2  5  10 o 79.06000 0.7076000 3.399000       1.415000  
1 1 1 -2  5  11 o 117.8000 1.049000  2.596000       2.099000  
1 1 1 -2  5  12 o 41.11000 0.6876000 -0.6427000     1.375000  
1 1 1 -2  5  13 f 105.6000 0.9253000 ?              ?         
1 1 1 -2  5  14 o 37.89000 0.8205000 -3.029000      1.641000  
1 1 1 -2  5  15 o 6.812000 2.021000  1.843000       4.042000  
1 1 1 -2  5  16 f 86.16000 0.7108000 2.283000       1.422000  
1 1 1 -2  5  17 o 50.18000 0.7642000 -1.414000      1.528000  
1 1 1 -2  5  18 o 44.63000 0.8375000 0.4508000      1.675000  
1 1 1 -2  5  19 o 46.22000 0.8897000 1.997000       1.779000  
1 1 1 -2  5  20 o 63.55000 0.7729000 -0.1892000     1.546000  
1 1 1 -2  5  21 f 74.08000 0.7427000 -1.344000      1.485000  
1 1 1 -2  5  22 o 8.195000 2.407000  1.476000       4.815000  
1 1 1 -2  5  23 o 14.99000 2.188000  6.080000       4.376000  
1 1 1 -2  5  24 o 7.456000 2.244000  2.288000       4.489000  
1 1 1 -2  5  25 o 10.44000 2.462000  -3.384000      4.923000  
1 1 1 -2  5  26 o 8.755000 2.645000  -1.453000      5.290000  
1 1 1 -2  5  27 o 11.28000 2.553000  7.552000       5.106000  
1 1 1 -2  6  1  o 49.83000 0.4234000 -0.8336000     0.8469000 
1 1 1 -2  6  2  o 48.56000 0.4167000 -1.559000      0.8334000 
1 1 1 -2  6  3  o 21.56000 0.5552000 1.667000       1.110000  
1 1 1 -2  6  4  o 25.38000 0.5104000 -0.6055000     1.021000  
1 1 1 -2  6  5  o 36.99000 0.4354000 -0.5476000     0.8708000 
1 1 1 -2  6  6  o 25.58000 0.5890000 -0.6483000E-02 1.178000  
1 1 1 -2  6  7  o 54.21000 0.5072000 0.5285000      1.014000  
1 1 1 -2  6  8  o 52.79000 0.8340000 -2.432000      1.668000  
1 1 1 -2  6  9  o 23.82000 1.141000  -0.6845000     2.281000  
1 1 1 -2  6  10 o 65.74000 0.5937000 -3.421000      1.187000  
1 1 1 -2  6  11 o 54.03000 0.6421000 -1.062000      1.284000  
1 1 1 -2  6  12 o 184.4000 1.513000  -0.8073000E-01 3.026000  
1 1 1 -2  6  13 o 110.8000 0.9477000 0.8031000      1.895000  
1 1 1 -2  6  14 o 39.39000 0.7521000 -0.3377000     1.504000  
1 1 1 -2  6  15 o 43.82000 0.7827000 1.384000       1.565000  
1 1 1 -2  6  16 o 25.23000 1.272000  -5.125000      2.544000  
1 1 1 -2  6  17 o 207.1000 1.702000  1.694000       3.404000  
1 1 1 -2  6  18 o 167.2000 1.399000  -1.894000      2.797000  
1 1 1 -2  6  19 o 189.0000 1.666000  -1.351000      3.332000  
1 1 1 -2  6  20 f 117.6000 0.9108000 -1.046000      1.822000  
1 1 1 -2  6  21 o 89.30000 0.7749000 0.5752000      1.550000  
1 1 1 -2  6  22 o 20.57000 1.689000  1.074000       3.378000  
1 1 1 -2  6  23 o 12.74000 2.515000  2.759000       5.030000  
1 1 1 -2  6  24 o 19.42000 1.733000  -1.587000      3.466000  
1 1 1 -2  6  25 o 15.70000 2.238000  10.97000       4.476000  
1 1 1 -2  6  26 o 7.331000 2.359000  1.626000       4.718000  
1 1 1 -2  6  27 o 14.63000 2.617000  -2.521000      5.234000  
1 1 1 -2  7  1  o 81.92000 0.6047000 0.8599000      1.209000  
1 1 1 -2  7  2  o 104.5000 0.9257000 0.8373000      1.851000  
1 1 1 -2  7  3  o 17.35000 1.272000  4.149000       2.544000  
1 1 1 -2  7  4  o 77.81000 0.7083000 0.2382000      1.417000  
1 1 1 -2  7  5  o 210.0000 1.481000  2.213000       2.962000  
1 1 1 -2  7  6  o 70.66000 0.7149000 -2.420000      1.430000  
1 1 1 -2  7  7  o 102.5000 0.7521000 -1.516000      1.504000  
1 1 1 -2  7  8  o 158.4000 1.126000  -1.594000      2.253000  
1 1 1 -2  7  9  o 21.86000 0.9353000 -2.313000      1.871000  
1 1 1 -2  7  10 o 113.7000 0.8369000 0.2710000      1.674000  
1 1 1 -2  7  11 o 50.09000 0.5970000 -0.7444000     1.194000  
1 1 1 -2  7  12 o 111.1000 0.9459000 0.1995000      1.892000  
1 1 1 -2  7  13 o 44.67000 0.7037000 0.5018000E-01  1.407000  
1 1 1 -2  7  14 f 99.02000 0.8791000 1.861000       1.758000  
1 1 1 -2  7  15 f 48.95000 0.7684000 -1.765000      1.537000  
1 1 1 -2  7  16 o 35.46000 0.9812000 -0.8694000     1.962000  
1 1 1 -2  7  17 f 54.85000 0.8190000 -0.5785000E-01 1.638000  
1 1 1 -2  7  18 o 22.70000 1.597000  -2.691000      3.194000  
1 1 1 -2  7  19 o 40.23000 0.9806000 -1.157000      1.961000  
1 1 1 -2  7  20 o 55.14000 0.8355000 -1.022000      1.671000  
1 1 1 -2  7  21 o 16.05000 2.244000  0.3752000E-02  4.489000  
1 1 1 -2  7  22 o 9.616000 2.498000  -6.437000      4.997000  
1 1 1 -2  7  23 o 8.656000 2.461000  -5.058000      4.922000  
1 1 1 -2  7  24 o 8.291000 2.389000  -0.8659000     4.778000  
1 1 1 -2  7  25 o 9.088000 2.469000  5.975000       4.937000  
1 1 1 -2  7  26 o 8.787000 2.620000  -0.2643000     5.241000  
1 1 1 -2  7  27 o 7.148000 2.331000  -1.771000      4.662000  
1 1 1 -2  8  1  o 151.1000 1.071000  3.102000       2.142000  
1 1 1 -2  8  2  o 93.81000 0.6889000 1.014000       1.378000  
1 1 1 -2  8  3  o 75.69000 0.5822000 -1.057000      1.164000  
1 1 1 -2  8  4  o 66.52000 0.5375000 -1.992000      1.075000  
1 1 1 -2  8  5  o 93.27000 0.6915000 -0.8675000     1.383000  
1 1 1 -2  8  6  f 74.24000 0.5921000 -1.142000      1.184000  
1 1 1 -2  8  7  o 29.52000 0.6381000 0.2372000      1.276000  
1 1 1 -2  8  8  o 38.34000 0.5925000 -3.207000      1.185000  
1 1 1 -2  8  9  o 34.94000 0.6610000 -2.178000      1.322000  
1 1 1 -2  8  10 o 147.0000 1.057000  1.702000       2.114000  
1 1 1 -2  8  11 o 41.94000 0.6632000 2.075000       1.326000  
1 1 1 -2  8  12 o 40.52000 0.7058000 1.237000       1.412000  
1 1 1 -2  8  13 o 8.413000 2.189000  -5.726000      4.377000  
1 1 1 -2  8  14 o 31.05000 1.019000  -2.373000      2.037000  
1 1 1 -2  8  15 f 25.76000 1.231000  -3.098000      2.463000  
1 1 1 -2  8  16 o 23.55000 1.455000  1.113000       2.909000  
1 1 1 -2  8  17 o 47.66000 0.8363000 -3.745000      1.673000  
1 1 1 -2  8  18 o 118.5000 1.035000  1.590000       2.071000  
1 1 1 -2  8  19 o 8.316000 2.444000  -0.3567000     4.888000  
1 1 1 -2  8  20 o 39.80000 0.9099000 -1.159000      1.820000  
1 1 1 -2  8  21 o 10.36000 2.625000  -1.088000      5.251000  
1 1 1 -2  8  22 o 12.40000 2.427000  4.488000       4.853000  
1 1 1 -2  8  23 o 10.68000 2.641000  -3.832000      5.282000  
1 1 1 -2  8  24 o 7.419000 2.317000  4.164000       4.633000  
1 1 1 -2  8  25 o 11.31000 2.678000  -6.141000      5.355000  
1 1 1 -2  8  26 o 8.877000 2.578000  -3.492000      5.156000  
1 1 1 -2  8  27 o 6.928000 2.283000  0.3403000      4.565000  
1 1 1 -2  9  1  o 161.5000 1.144000  1.918000       2.289000  
1 1 1 -2  9  2  o 181.6000 1.283000  2.132000       2.567000  
1 1 1 -2  9  3  o 25.73000 0.6358000 -0.7972000     1.272000  
1 1 1 -2  9  4  o 142.3000 1.015000  2.653000       2.029000  
1 1 1 -2  9  5  o 121.2000 0.8749000 2.422000       1.750000  
1 1 1 -2  9  6  o 76.09000 0.6100000 0.9579000      1.220000  
1 1 1 -2  9  7  o 110.8000 1.006000  -1.521000      2.012000  
1 1 1 -2  9  8  o 74.31000 0.6218000 -0.6012000E-02 1.244000  
1 1 1 -2  9  9  o 169.7000 1.210000  1.774000       2.420000  
1 1 1 -2  9  10 o 143.9000 1.039000  -1.494000      2.079000  
1 1 1 -2  9  11 o 64.79000 0.6319000 0.5472000      1.264000  
1 1 1 -2  9  12 o 32.56000 0.8677000 0.3074000      1.735000  
1 1 1 -2  9  13 o 77.07000 0.6892000 -1.798000      1.378000  
1 1 1 -2  9  14 o 9.752000 2.394000  1.508000       4.789000  
1 1 1 -2  9  15 o 58.95000 0.7786000 -0.5131000     1.557000  
1 1 1 -2  9  16 o 20.85000 1.682000  1.633000       3.363000  
1 1 1 -2  9  17 o 10.48000 2.582000  0.3809000      5.164000  
1 1 1 -2  9  18 o 56.93000 0.7773000 0.5376000      1.555000  
1 1 1 -2  9  19 o 11.28000 2.195000  -9.837000      4.390000  
1 1 1 -2  9  20 o 24.09000 1.379000  -3.498000      2.759000  
1 1 1 -2  9  21 o 7.320000 2.224000  1.370000       4.449000  
1 1 1 -2  9  22 o 6.614000 2.160000  -0.1536000     4.321000  
1 1 1 -2  9  23 o 12.78000 2.680000  -5.338000      5.360000  
1 1 1 -2  9  24 o 13.01000 2.638000  5.183000       5.275000  
1 1 1 -2  9  25 o 7.226000 2.362000  0.3892000      4.724000  
1 1 1 -2  9  26 o 7.462000 2.401000  0.8657000      4.803000  
1 1 1 -2  9  27 o 6.845000 2.285000  -2.522000      4.571000  
1 1 1 -2  10 1  o 18.83000 1.296000  0.1476000      2.591000  
1 1 1 -2  10 2  f 56.35000 0.5261000 0.6849000      1.052000  
1 1 1 -2  10 3  o 42.35000 0.5365000 -1.072000      1.073000  
1 1 1 -2  10 4  o 67.77000 0.5823000 -0.1432000     1.165000  
1 1 1 -2  10 5  o 19.30000 0.9959000 2.380000       1.992000  
1 1 1 -2  10 6  o 29.84000 0.7267000 2.638000       1.453000  
1 1 1 -2  10 7  o 21.83000 0.9314000 -0.8854000     1.863000  
1 1 1 -2  10 8  o 28.47000 0.8304000 -2.864000      1.661000  
1 1 1 -2  10 9  o 87.90000 0.7053000 -0.5885000     1.411000  
1 1 1 -2  10 10 o 67.14000 0.6379000 -2.072000      1.276000  
1 1 1 -2  10 11 o 75.10000 0.6766000 -1.643000      1.353000  
1 1 1 -2  10 12 o 49.86000 0.7119000 0.4638000      1.424000  
1 1 1 -2  10 13 o 25.31000 1.195000  0.9638000      2.391000  
1 1 1 -2  10 14 f 9.887000 2.541000  -3.073000      5.081000  
1 1 1 -2  10 15 o 46.20000 0.8182000 -1.570000      1.636000  
1 1 1 -2  10 16 o 38.32000 0.9402000 0.8721000      1.880000  
1 1 1 -2  10 17 o 47.84000 0.8555000 -0.1283000     1.711000  
1 1 1 -2  10 18 f 67.62000 0.7663000 -1.288000      1.533000  
1 1 1 -2  10 19 o 46.32000 0.8477000 0.8452000      1.695000  
1 1 1 -2  10 20 o 18.50000 2.093000  7.923000       4.185000  
1 1 1 -2  10 21 o 15.46000 2.606000  ?              ?         
1 1 1 -2  10 22 o 6.016000 2.017000  -1.053000      4.033000  
1 1 1 -2  10 23 o 8.187000 2.524000  2.045000       5.047000  
1 1 1 -2  10 24 o 9.381000 2.623000  4.472000       5.246000  
1 1 1 -2  10 25 o 6.366000 2.143000  1.891000       4.287000  
1 1 1 -2  10 26 o 7.409000 2.414000  1.564000       4.828000  
1 1 1 -2  10 27 o 7.413000 2.449000  -0.4385000     4.897000  
1 1 1 -2  11 1  o 71.33000 0.5917000 -0.6600000     1.183000  
1 1 1 -2  11 2  o 79.73000 0.6293000 0.4797000      1.259000  
1 1 1 -2  11 3  o 115.5000 0.8419000 -0.5588000     1.684000  
1 1 1 -2  11 4  o 16.80000 1.188000  0.4018000      2.375000  
1 1 1 -2  11 5  o 70.37000 0.6111000 -0.5779000     1.222000  
1 1 1 -2  11 6  o 108.4000 0.8080000 0.8123000      1.616000  
1 1 1 -2  11 7  o 35.39000 0.6950000 0.2939000      1.390000  
1 1 1 -2  11 8  o 113.1000 0.8442000 1.310000       1.688000  
1 1 1 -2  11 9  o 87.48000 0.7105000 -2.157000      1.421000  
1 1 1 -2  11 10 o 28.62000 0.9554000 1.179000       1.911000  
1 1 1 -2  11 11 o 22.55000 1.257000  3.760000       2.514000  
1 1 1 -2  11 12 o 69.97000 0.6907000 -1.040000      1.381000  
1 1 1 -2  11 13 o 30.08000 1.045000  2.377000       2.089000  
1 1 1 -2  11 14 o 40.54000 0.8683000 -0.5859000     1.737000  
1 1 1 -2  11 15 f 37.24000 0.9416000 0.5713000      1.883000  
1 1 1 -2  11 16 o 22.49000 1.449000  -1.540000      2.898000  
1 1 1 -2  11 17 o 26.62000 1.259000  -1.847000      2.517000  
1 1 1 -2  11 18 o 8.370000 2.343000  -3.170000      4.687000  
1 1 1 -2  11 19 o 17.35000 2.060000  1.536000       4.120000  
1 1 1 -2  11 20 o 7.791000 2.365000  -3.604000      4.729000  
1 1 1 -2  11 21 o 7.803000 2.361000  -1.011000      4.722000  
1 1 1 -2  11 22 o 5.862000 2.025000  0.7844000      4.050000  
1 1 1 -2  11 23 f 7.910000 2.494000  0.8702000      4.988000  
1 1 1 -2  11 25 o 7.991000 2.511000  -2.600000      5.022000  
1 1 1 -2  11 26 o 5.894000 2.056000  -0.1534000E-02 4.111000  
1 1 1 -2  12 1  o 8.248000 2.067000  1.422000       4.133000  
1 1 1 -2  12 2  o 93.32000 0.7146000 0.7798000      1.429000  
1 1 1 -2  12 3  o 62.16000 0.5818000 -1.010000      1.164000  
1 1 1 -2  12 4  o 20.11000 1.078000  1.949000       2.156000  
1 1 1 -2  12 5  o 39.29000 0.6930000 -0.1996000E-01 1.386000  
1 1 1 -2  12 6  o 11.89000 2.031000  1.560000       4.061000  
1 1 1 -2  12 7  o 11.23000 2.003000  -4.587000      4.006000  
1 1 1 -2  12 8  o 18.84000 1.438000  -3.905000      2.877000  
1 1 1 -2  12 9  o 6.525000 2.019000  0.9185000E-02  4.037000  
1 1 1 -2  12 10 o 33.25000 0.9057000 -1.248000      1.811000  
1 1 1 -2  12 11 o 10.50000 2.398000  1.680000       4.796000  
1 1 1 -2  12 12 o 21.72000 1.398000  4.896000       2.795000  
1 1 1 -2  12 13 o 19.37000 1.636000  2.107000       3.271000  
1 1 1 -2  12 14 o 45.95000 0.7905000 -2.971000      1.581000  
1 1 1 -2  12 15 o 31.97000 1.009000  1.594000       2.018000  
1 1 1 -2  12 16 f 34.17000 0.9873000 -4.187000      1.975000  
1 1 1 -2  12 17 o 13.01000 2.412000  -4.762000      4.824000  
1 1 1 -2  12 18 f 12.64000 2.435000  0.1648000E-01  4.870000  
1 1 1 -2  12 19 o 25.21000 1.345000  1.567000       2.691000  
1 1 1 -2  12 20 o 20.64000 1.677000  0.2170000      3.355000  
1 1 1 -2  12 21 o 15.74000 2.695000  -0.6410000     5.390000  
1 1 1 -2  12 22 o 13.41000 2.749000  -6.603000      5.499000  
1 1 1 -2  12 23 o 6.842000 2.299000  0.1053000      4.598000  
1 1 1 -2  12 24 o 6.612000 2.237000  0.4051000      4.474000  
1 1 1 -2  12 25 o 5.557000 1.944000  -0.6212000     3.889000  
1 1 1 -2  13 1  o 63.48000 0.6091000 0.5488000      1.218000  
1 1 1 -2  13 2  o 69.72000 0.6268000 0.3877000      1.254000  
1 1 1 -2  13 3  o 77.93000 0.6560000 0.5525000      1.312000  
1 1 1 -2  13 4  o 84.66000 0.6797000 1.043000       1.359000  
1 1 1 -2  13 5  o 55.43000 0.7265000 1.442000       1.453000  
1 1 1 -2  13 6  o 18.80000 1.410000  -0.1407000     2.820000  
1 1 1 -2  13 7  o 72.04000 0.6549000 1.208000       1.310000  
1 1 1 -2  13 8  o 131.4000 0.9673000 -0.1450000     1.935000  
1 1 1 -2  13 9  o 46.85000 0.6987000 -0.1755000     1.397000  
1 1 1 -2  13 10 o 71.25000 0.6785000 -0.3285000     1.357000  
1 1 1 -2  13 11 f 45.46000 0.7537000 0.4802000      1.507000  
1 1 1 -2  13 12 f 17.65000 1.845000  -6.640000      3.691000  
1 1 1 -2  13 13 o 29.32000 1.022000  1.411000       2.045000  
1 1 1 -2  13 14 o 11.43000 2.285000  4.209000       4.571000  
1 1 1 -2  13 15 o 16.70000 1.888000  -3.522000      3.775000  
1 1 1 -2  13 16 o 22.72000 1.437000  2.601000       2.874000  
1 1 1 -2  13 17 o 18.80000 1.833000  5.843000       3.666000  
1 1 1 -2  13 18 o 6.576000 2.089000  0.9908000      4.179000  
1 1 1 -2  13 19 f 14.60000 2.328000  -2.527000      4.656000  
1 1 1 -2  13 20 o 10.50000 2.807000  -0.2671000     5.615000  
1 1 1 -2  13 21 o 6.484000 2.177000  0.1689000      4.355000  
1 1 1 -2  13 22 o 7.458000 2.407000  0.5969000      4.814000  
1 1 1 -2  13 23 o 7.900000 2.526000  0.8029000      5.053000  
1 1 1 -2  13 24 o 5.905000 2.046000  0.6978000E-02  4.091000  
1 1 1 -2  14 1  o 18.56000 1.410000  3.129000       2.819000  
1 1 1 -2  14 2  o 46.59000 0.6646000 0.6562000      1.329000  
1 1 1 -2  14 3  o 27.03000 0.9903000 -5.426000      1.981000  
1 1 1 -2  14 4  o 23.42000 1.100000  -2.937000      2.200000  
1 1 1 -2  14 5  o 33.26000 0.8531000 -0.1534000E-01 1.706000  
1 1 1 -2  14 6  o 23.67000 1.133000  1.135000       2.267000  
1 1 1 -2  14 7  o 18.25000 1.488000  0.5226000      2.975000  
1 1 1 -2  14 8  o 46.02000 0.7108000 -1.794000      1.422000  
1 1 1 -2  14 9  o 21.25000 1.339000  -4.207000      2.678000  
1 1 1 -2  14 10 o 28.25000 1.003000  -1.192000      2.006000  
1 1 1 -2  14 11 o 10.54000 2.372000  0.8972000      4.744000  
1 1 1 -2  14 12 o 23.68000 1.194000  2.518000       2.389000  
1 1 1 -2  14 13 o 34.12000 0.9076000 2.450000       1.815000  
1 1 1 -2  14 14 o 31.76000 0.9492000 2.530000       1.898000  
1 1 1 -2  14 15 o 12.08000 2.287000  4.814000       4.573000  
1 1 1 -2  14 16 o 7.441000 2.222000  -1.747000      4.443000  
1 1 1 -2  14 17 o 10.00000 2.479000  -0.1711000     4.958000  
1 1 1 -2  14 18 o 7.222000 2.261000  -2.864000      4.521000  
1 1 1 -2  14 19 o 14.03000 2.795000  1.070000       5.590000  
1 1 1 -2  14 20 o 7.583000 2.415000  -0.8665000     4.830000  
1 1 1 -2  14 21 o 8.535000 2.598000  1.615000       5.196000  
1 1 1 -2  14 22 o 8.099000 2.430000  3.860000       4.859000  
1 1 1 -2  14 23 o 7.690000 2.475000  -1.219000      4.950000  
1 1 1 -2  15 1  o 35.31000 0.8135000 -1.155000      1.627000  
1 1 1 -2  15 2  o 35.85000 0.7953000 -4.642000      1.591000  
1 1 1 -2  15 3  o 33.47000 0.8189000 1.218000       1.638000  
1 1 1 -2  15 4  o 15.47000 1.684000  3.610000       3.368000  
1 1 1 -2  15 5  o 10.67000 2.225000  0.8685000      4.451000  
1 1 1 -2  15 6  o 65.27000 0.8078000 -2.665000      1.616000  
1 1 1 -2  15 7  o 73.05000 0.6669000 -1.814000      1.334000  
1 1 1 -2  15 8  o 35.09000 0.7962000 -2.241000      1.592000  
1 1 1 -2  15 9  o 49.44000 0.6699000 -0.3124000     1.340000  
1 1 1 -2  15 10 o 52.29000 0.6698000 -1.543000      1.340000  
1 1 1 -2  15 11 o 31.22000 0.8924000 2.786000       1.785000  
1 1 1 -2  15 12 o 27.31000 0.9992000 -0.3037000     1.998000  
1 1 1 -2  15 13 o 11.80000 2.235000  0.9149000      4.470000  
1 1 1 -2  15 14 o 10.87000 2.221000  -5.555000      4.441000  
1 1 1 -2  15 15 o 12.35000 2.378000  -0.7820000     4.756000  
1 1 1 -2  15 16 o 14.47000 2.196000  4.175000       4.393000  
1 1 1 -2  15 17 o 9.838000 2.681000  0.7304000      5.361000  
1 1 1 -2  15 18 o 8.660000 2.650000  -0.5347000     5.301000  
1 1 1 -2  15 19 o 7.693000 2.472000  -1.043000      4.945000  
1 1 1 -2  15 20 o 7.658000 2.426000  -2.428000      4.851000  
1 1 1 -2  15 21 o 6.447000 2.202000  1.728000       4.403000  
1 1 1 -2  15 22 o 6.573000 2.230000  -1.108000      4.460000  
1 1 1 -2  16 1  o 18.27000 1.401000  0.9416000      2.802000  
1 1 1 -2  16 2  o 11.76000 2.096000  0.3258000      4.191000  
1 1 1 -2  16 3  o 20.04000 1.259000  0.8378000      2.519000  
1 1 1 -2  16 4  o 15.30000 1.614000  0.4514000      3.229000  
1 1 1 -2  16 5  o 35.32000 0.7921000 1.979000       1.584000  
1 1 1 -2  16 6  o 22.44000 1.140000  -1.968000      2.281000  
1 1 1 -2  16 7  o 16.37000 1.754000  -7.062000      3.507000  
1 1 1 -2  16 8  o 6.734000 2.062000  -0.6600000     4.123000  
1 1 1 -2  16 9  o 5.469000 1.822000  1.500000       3.644000  
1 1 1 -2  16 10 o 13.83000 1.967000  2.549000       3.934000  
1 1 1 -2  16 11 o 13.86000 2.010000  -0.6867000     4.020000  
1 1 1 -2  16 12 o 27.71000 1.056000  -0.1259000E-01 2.112000  
1 1 1 -2  16 13 o 25.72000 1.134000  -2.154000      2.268000  
1 1 1 -2  16 14 o 12.24000 1.997000  -9.209000      3.993000  
1 1 1 -2  16 15 o 9.251000 2.433000  -2.812000      4.866000  
1 1 1 -2  16 16 o 10.21000 2.735000  2.161000       5.470000  
1 1 1 -2  16 17 o 10.23000 2.804000  2.618000       5.609000  
1 1 1 -2  16 18 o 13.04000 2.708000  5.241000       5.415000  
1 1 1 -2  16 19 o 6.753000 2.255000  2.500000       4.511000  
1 1 1 -2  16 20 o 6.647000 2.243000  1.108000       4.486000  
1 1 1 -2  16 21 o 6.392000 2.182000  -0.5428000     4.364000  
1 1 1 -2  17 1  o 14.77000 1.817000  -5.292000      3.635000  
1 1 1 -2  17 2  o 14.63000 1.867000  -4.480000      3.734000  
1 1 1 -2  17 3  o 9.900000 2.119000  -5.284000      4.238000  
1 1 1 -2  17 4  f 28.40000 0.9197000 0.6954000      1.839000  
1 1 1 -2  17 5  o 40.69000 0.7540000 1.029000       1.508000  
1 1 1 -2  17 6  o 11.23000 2.192000  0.2828000      4.385000  
1 1 1 -2  17 7  o 16.66000 1.695000  6.583000       3.390000  
1 1 1 -2  17 8  o 8.660000 2.212000  -3.327000      4.424000  
1 1 1 -2  17 9  o 21.35000 1.335000  -1.468000      2.670000  
1 1 1 -2  17 10 o 14.85000 1.950000  1.721000       3.899000  
1 1 1 -2  17 11 o 6.849000 2.138000  -0.2661000     4.276000  
1 1 1 -2  17 12 o 8.913000 2.349000  -2.232000      4.698000  
1 1 1 -2  17 13 o 6.730000 2.141000  -0.2876000     4.281000  
1 1 1 -2  17 14 o 6.727000 2.145000  0.5867000      4.291000  
1 1 1 -2  17 15 o 14.06000 2.772000  -0.8910000     5.543000  
1 1 1 -2  17 16 o 10.96000 2.662000  6.720000       5.324000  
1 1 1 -2  17 17 o 7.916000 2.482000  2.947000       4.964000  
1 1 1 -2  17 18 o 6.192000 2.138000  -1.925000      4.275000  
1 1 1 -2  17 19 o 5.582000 1.963000  -0.2780000     3.927000  
1 1 1 -2  18 1  o 7.651000 2.176000  1.834000       4.353000  
1 1 1 -2  18 2  o 7.315000 2.125000  3.075000       4.250000  
1 1 1 -2  18 3  o 9.424000 2.321000  1.734000       4.643000  
1 1 1 -2  18 4  o 9.733000 2.181000  4.491000       4.363000  
1 1 1 -2  18 5  o 9.036000 2.293000  -2.783000      4.585000  
1 1 1 -2  18 6  o 6.765000 2.099000  2.066000       4.198000  
1 1 1 -2  18 7  o 8.201000 2.284000  2.451000       4.567000  
1 1 1 -2  18 8  o 8.084000 2.325000  1.431000       4.650000  
1 1 1 -2  18 9  o 8.250000 2.216000  6.010000       4.432000  
1 1 1 -2  18 10 o 6.046000 1.996000  1.594000       3.992000  
1 1 1 -2  18 11 o 14.82000 2.132000  -5.027000      4.264000  
1 1 1 -2  18 12 f 9.683000 2.490000  -1.600000      4.979000  
1 1 1 -2  18 13 o 7.595000 2.319000  4.349000       4.638000  
1 1 1 -2  18 14 o 5.662000 1.972000  -1.017000      3.943000  
1 1 1 -2  18 15 o 6.704000 2.242000  -1.805000      4.485000  
1 1 1 -2  18 16 o 7.011000 2.305000  -2.533000      4.609000  
1 1 1 -2  18 17 o 5.718000 2.003000  0.4551000      4.007000  
1 1 1 -2  19 1  o 16.06000 1.979000  4.215000       3.959000  
1 1 1 -2  19 2  o 8.568000 2.333000  2.401000       4.667000  
1 1 1 -2  19 3  o 6.421000 2.055000  2.422000       4.110000  
1 1 1 -2  19 4  o 12.75000 2.289000  5.282000       4.577000  
1 1 1 -2  19 5  o 21.96000 1.454000  -1.257000      2.907000  
1 1 1 -2  19 6  o 21.98000 1.517000  0.3136000      3.035000  
1 1 1 -2  19 7  o 7.487000 2.225000  -3.552000      4.450000  
1 1 1 -2  19 8  o 17.18000 2.085000  2.052000       4.170000  
1 1 1 -2  19 9  o 6.181000 2.058000  -0.7173000E-01 4.117000  
1 1 1 -2  19 10 o 6.278000 2.077000  -0.9720000     4.154000  
1 1 1 -2  19 11 o 6.792000 2.245000  2.166000       4.490000  
1 1 1 -2  19 12 o 8.950000 2.558000  -4.650000      5.117000  
1 1 1 -2  19 13 o 8.494000 2.427000  5.582000       4.854000  
1 1 1 -2  19 14 o 6.868000 2.262000  2.674000       4.524000  
1 1 1 -2  19 15 o 6.220000 2.140000  -1.433000      4.280000  
1 1 1 -2  20 1  o 8.256000 2.428000  2.379000       4.856000  
1 1 1 -2  20 2  o 12.58000 2.457000  -4.597000      4.914000  
1 1 1 -2  20 3  o 12.45000 2.488000  -3.225000      4.976000  
1 1 1 -2  20 4  o 9.047000 2.541000  -0.8192000     5.082000  
1 1 1 -2  20 5  f 10.79000 2.569000  4.079000       5.137000  
1 1 1 -2  20 6  o 11.42000 2.605000  -2.281000      5.210000  
1 1 1 -2  20 7  o 6.535000 2.153000  0.6051000      4.305000  
1 1 1 -2  20 8  o 7.273000 2.288000  -0.9839000     4.577000  
1 1 1 -2  20 9  o 8.527000 2.529000  -4.444000      5.058000  
1 1 1 -2  20 10 o 9.381000 2.740000  -2.926000      5.479000  
1 1 1 -2  20 11 o 6.771000 2.294000  -1.045000      4.587000  
1 1 1 -2  20 12 o 5.698000 2.012000  -1.257000      4.025000  
1 1 1 -2  21 1  o 11.53000 2.293000  8.402000       4.585000  
1 1 1 -2  21 2  o 7.549000 2.361000  -1.380000      4.721000  
1 1 1 -2  21 3  o 5.642000 1.948000  -0.6347000     3.896000  
1 1 1 -2  21 4  o 6.966000 2.233000  -2.899000      4.467000  
1 1 1 -2  21 5  o 9.613000 2.780000  3.517000       5.559000  
1 1 1 -2  21 6  o 6.911000 2.343000  0.4011000      4.686000  
1 1 1 -2  21 7  o 8.301000 2.556000  4.667000       5.112000  
1 1 1 -1  0  3  o 129.3000 1.819000  -0.000000      0.000000  
1 1 1 -1  0  4  o 7.326000 1.374000  -0.000000      0.000000  
1 1 1 -1  0  5  o 41.75000 0.5219000 -0.000000      0.000000  
1 1 1 -1  0  6  o 22.61000 0.6478000 -0.000000      0.000000  
1 1 1 -1  0  7  o 51.53000 0.6069000 -0.000000      0.000000  
1 1 1 -1  0  8  o 2.245000 1.608000  -0.000000      0.000000  
1 1 1 -1  0  9  o 48.35000 0.6448000 -0.000000      0.000000  
1 1 1 -1  0  10 o 14.30000 1.499000  -0.000000      0.000000  
1 1 1 -1  0  11 o 7.045000 3.293000  -0.000000      0.000000  
1 1 1 -1  0  12 o 13.37000 2.134000  -0.000000      0.000000  
1 1 1 -1  0  13 o 26.13000 1.260000  0.000000       0.000000  
1 1 1 -1  0  14 o 4.239000 2.856000  -0.000000      0.000000  
1 1 1 -1  0  15 o 23.16000 1.594000  -0.000000      0.000000  
1 1 1 -1  0  16 o 61.86000 0.9151000 -0.000000      0.000000  
1 1 1 -1  0  17 o 81.15000 0.9972000 -0.000000      0.000000  
1 1 1 -1  0  18 o 160.6000 1.640000  -0.000000      0.000000  
1 1 1 -1  0  19 o 108.3000 1.211000  -0.000000      0.000000  
1 1 1 -1  0  20 o 84.40000 1.096000  -0.000000      0.000000  
1 1 1 -1  0  21 o 10.63000 4.588000  -0.000000      0.000000  
1 1 1 -1  0  22 o 80.98000 1.079000  -0.000000      0.000000  
1 1 1 -1  0  23 o 41.93000 1.300000  -0.000000      0.000000  
1 1 1 -1  0  24 o 13.25000 4.183000  -0.000000      0.000000  
1 1 1 -1  0  25 o 27.36000 1.710000  -0.000000      0.000000  
1 1 1 -1  0  26 o 39.66000 1.290000  -0.000000      0.000000  
1 1 1 -1  1  3  o 152.4000 1.314000  -0.9056000     2.627000  
1 1 1 -1  1  4  o 65.70000 0.4808000 0.5508000      0.9615000 
1 1 1 -1  1  5  o 127.8000 0.9023000 0.4949000      1.805000  
1 1 1 -1  1  6  o 124.6000 0.8828000 -0.4849000     1.766000  
1 1 1 -1  1  7  o 85.74000 0.6269000 0.6019000      1.254000  
1 1 1 -1  1  8  o 80.63000 0.6001000 -0.2025000     1.200000  
1 1 1 -1  1  9  o 81.43000 0.7517000 3.584000       1.503000  
1 1 1 -1  1  10 o 41.24000 0.4870000 -0.6321000     0.9740000 
1 1 1 -1  1  11 o 66.62000 0.5620000 0.4491000      1.124000  
1 1 1 -1  1  12 o 52.84000 0.5608000 -2.016000      1.122000  
1 1 1 -1  1  13 o 46.32000 0.5970000 -0.9374000     1.194000  
1 1 1 -1  1  14 o 80.20000 0.6566000 1.336000       1.313000  
1 1 1 -1  1  15 o 134.8000 0.9820000 2.499000       1.964000  
1 1 1 -1  1  16 o 117.4000 0.8773000 -0.8835000E-01 1.755000  
1 1 1 -1  1  17 o 222.1000 1.577000  3.192000       3.154000  
1 1 1 -1  1  18 o 165.7000 1.196000  2.453000       2.393000  
1 1 1 -1  1  19 o 120.1000 0.9168000 2.271000       1.834000  
1 1 1 -1  1  20 o 106.8000 0.8565000 1.641000       1.713000  
1 1 1 -1  1  21 f 20.88000 1.767000  0.7790000      3.534000  
1 1 1 -1  1  22 o 35.69000 1.116000  -3.246000      2.232000  
1 1 1 -1  1  23 o 26.18000 1.359000  -4.551000      2.717000  
1 1 1 -1  1  24 o 8.613000 2.485000  -1.484000      4.970000  
1 1 1 -1  1  25 o 8.501000 2.483000  -0.1640000     4.967000  
1 1 1 -1  1  26 o 8.793000 2.353000  -3.161000      4.706000  
1 1 1 -1  1  27 o 13.34000 4.151000  ?              ?         
1 1 1 -1  2  1  o 108.4000 0.9371000 -1.460000      1.874000  
1 1 1 -1  2  2  f 154.3000 1.533000  ?              ?         
1 1 1 -1  2  3  o 133.9000 0.9430000 0.2544000      1.886000  
1 1 1 -1  2  4  f 89.79000 0.6432000 -1.106000      1.286000  
1 1 1 -1  2  5  o 77.60000 0.6497000 0.7596000      1.299000  
1 1 1 -1  2  6  o 93.23000 0.6722000 -0.2409000     1.344000  
1 1 1 -1  2  7  o 37.68000 0.4227000 -1.295000      0.8453000 
1 1 1 -1  2  8  o 56.03000 0.4768000 1.024000       0.9536000 
1 1 1 -1  2  9  o 21.08000 0.8513000 2.239000       1.703000  
1 1 1 -1  2  10 o 45.72000 0.4914000 0.4809000      0.9828000 
1 1 1 -1  2  11 o 14.21000 1.381000  1.292000       2.763000  
1 1 1 -1  2  12 o 25.23000 0.8275000 0.3330000      1.655000  
1 1 1 -1  2  13 o 23.28000 0.9768000 -1.249000      1.954000  
1 1 1 -1  2  14 o 33.52000 0.7559000 1.492000       1.512000  
1 1 1 -1  2  15 o 69.91000 0.6408000 -0.2846000     1.282000  
1 1 1 -1  2  16 o 86.19000 0.7119000 0.5798000      1.424000  
1 1 1 -1  2  17 o 176.4000 1.265000  -1.922000      2.529000  
1 1 1 -1  2  18 o 76.17000 0.7177000 1.364000       1.435000  
1 1 1 -1  2  19 o 136.6000 1.014000  1.028000       2.029000  
1 1 1 -1  2  20 o 38.61000 0.9876000 1.811000       1.975000  
1 1 1 -1  2  21 o 96.63000 0.8108000 0.6983000      1.622000  
1 1 1 -1  2  22 o 117.2000 0.9117000 3.309000       1.823000  
1 1 1 -1  2  23 o 34.97000 1.042000  -3.095000      2.085000  
1 1 1 -1  2  24 o 8.565000 2.452000  -0.6341000     4.904000  
1 1 1 -1  2  25 o 8.683000 2.450000  -2.548000      4.900000  
1 1 1 -1  2  26 o 9.690000 2.396000  4.450000       4.792000  
1 1 1 -1  2  27 o 22.89000 2.776000  ?              ?         
1 1 1 -1  3  2  o 82.35000 0.5903000 -0.9295000     1.181000  
1 1 1 -1  3  3  o 64.24000 0.4767000 1.554000       0.9534000 
1 1 1 -1  3  4  o 157.4000 1.109000  0.4489000      2.218000  
1 1 1 -1  3  5  o 123.5000 0.8763000 1.010000       1.753000  
1 1 1 -1  3  6  o 98.85000 0.8204000 -0.5287000     1.641000  
1 1 1 -1  3  7  o 55.43000 0.5580000 0.8757000      1.116000  
1 1 1 -1  3  8  o 23.62000 0.6821000 0.7407000      1.364000  
1 1 1 -1  3  9  o 112.5000 0.8126000 -0.7703000E-01 1.625000  
1 1 1 -1  3  10 o 94.45000 0.7047000 -1.354000      1.409000  
1 1 1 -1  3  11 o 35.37000 0.6009000 -0.1550000E-01 1.202000  
1 1 1 -1  3  12 o 77.20000 0.6293000 -0.8180000     1.259000  
1 1 1 -1  3  13 o 83.80000 0.6689000 -0.5407000     1.338000  
1 1 1 -1  3  14 o 199.0000 1.411000  3.432000       2.822000  
1 1 1 -1  3  15 o 159.4000 1.144000  1.576000       2.288000  
1 1 1 -1  3  16 o 57.26000 0.6529000 -0.5376000     1.306000  
1 1 1 -1  3  17 o 104.4000 0.8132000 -1.281000      1.626000  
1 1 1 -1  3  18 o 41.30000 0.8570000 0.6555000      1.714000  
1 1 1 -1  3  19 o 66.70000 0.7368000 1.001000       1.474000  
1 1 1 -1  3  20 o 13.95000 2.581000  0.5193000      5.162000  
1 1 1 -1  3  21 o 121.9000 0.9381000 -1.125000      1.876000  
1 1 1 -1  3  22 o 35.76000 1.026000  -4.826000      2.053000  
1 1 1 -1  3  23 o 18.74000 1.888000  -0.9119000E-01 3.775000  
1 1 1 -1  3  24 o 20.44000 1.691000  -0.9963000     3.382000  
1 1 1 -1  3  25 o 8.760000 2.468000  0.8841000      4.937000  
1 1 1 -1  3  26 o 8.712000 3.785000  ?              ?         
1 1 1 -1  3  27 o 12.44000 3.111000  4.026000       6.222000  
1 1 1 -1  4  1  o 251.6000 3.540000  ?              ?         
1 1 1 -1  4  2  o 90.53000 0.6476000 -0.2489000     1.295000  
1 1 1 -1  4  3  o 50.23000 0.4110000 -0.7068000     0.8219000 
1 1 1 -1  4  4  f 122.3000 0.8682000 -2.159000      1.736000  
1 1 1 -1  4  5  o 116.8000 0.8326000 1.774000       1.665000  
1 1 1 -1  4  6  o 117.4000 0.8393000 1.702000       1.679000  
1 1 1 -1  4  7  o 105.5000 0.9327000 -0.4924000     1.865000  
1 1 1 -1  4  8  o 44.91000 0.5071000 -0.7062000     1.014000  
1 1 1 -1  4  9  o 50.66000 0.5713000 -0.2090000     1.143000  
1 1 1 -1  4  10 o 36.26000 0.7210000 -0.4053000     1.442000  
1 1 1 -1  4  11 f 6.626000 1.917000  -0.3926000     3.834000  
1 1 1 -1  4  12 o 48.14000 0.5883000 0.6913000      1.177000  
1 1 1 -1  4  13 o 46.75000 0.6143000 -2.127000      1.229000  
1 1 1 -1  4  14 o 50.27000 0.6328000 -0.6593000     1.266000  
1 1 1 -1  4  15 o 49.36000 0.6491000 -2.432000      1.298000  
1 1 1 -1  4  16 o 111.2000 0.8471000 -1.348000      1.694000  
1 1 1 -1  4  17 o 141.0000 1.032000  -3.024000      2.063000  
1 1 1 -1  4  18 f 28.68000 1.211000  -1.527000      2.422000  
1 1 1 -1  4  19 o 91.55000 0.7865000 -0.7593000     1.573000  
1 1 1 -1  4  20 o 170.1000 1.235000  -0.7935000     2.470000  
1 1 1 -1  4  22 o 84.92000 1.105000  -2.703000      2.211000  
1 1 1 -1  4  23 o 38.30000 0.9299000 2.291000       1.860000  
1 1 1 -1  4  24 o 15.30000 2.167000  -7.065000      4.335000  
1 1 1 -1  4  25 o 8.419000 2.404000  -1.916000      4.809000  
1 1 1 -1  4  26 o 30.04000 1.552000  -0.6294000     3.105000  
1 1 1 -1  4  27 o 21.46000 2.287000  5.453000       4.573000  
1 1 1 -1  5  1  o 66.27000 0.4964000 -0.2649000     0.9928000 
1 1 1 -1  5  2  o 128.5000 0.9092000 -1.668000      1.818000  
1 1 1 -1  5  3  o 137.0000 0.9688000 -1.777000      1.938000  
1 1 1 -1  5  4  o 71.40000 0.5404000 -2.396000      1.081000  
1 1 1 -1  5  5  o 42.73000 0.4348000 0.8671000      0.8695000 
1 1 1 -1  5  6  o 83.74000 0.7568000 1.672000       1.514000  
1 1 1 -1  5  7  o 152.8000 1.083000  -5.527000      2.166000  
1 1 1 -1  5  8  o 47.73000 0.6578000 -0.9574000     1.316000  
1 1 1 -1  5  9  o 144.6000 1.178000  5.202000       2.357000  
1 1 1 -1  5  10 o 124.3000 1.030000  2.182000       2.061000  
1 1 1 -1  5  11 o 156.4000 1.281000  2.528000       2.563000  
1 1 1 -1  5  12 o 197.8000 1.612000  2.214000       3.224000  
1 1 1 -1  5  13 o 18.05000 1.299000  -1.909000      2.598000  
1 1 1 -1  5  14 o 115.6000 0.8601000 1.564000       1.720000  
1 1 1 -1  5  15 o 83.93000 0.7002000 1.204000       1.400000  
1 1 1 -1  5  16 o 154.3000 1.117000  -6.020000      2.233000  
1 1 1 -1  5  17 o 112.4000 0.8593000 0.5454000      1.719000  
1 1 1 -1  5  18 o 52.24000 1.059000  3.652000       2.119000  
1 1 1 -1  5  19 o 86.59000 0.7708000 0.2988000E-01  1.542000  
1 1 1 -1  5  20 f 114.0000 0.8957000 -0.2659000     1.791000  
1 1 1 -1  5  21 o 84.46000 0.7663000 -0.6331000     1.533000  
1 1 1 -1  5  22 o 16.13000 2.178000  -1.928000      4.356000  
1 1 1 -1  5  23 o 36.96000 0.9589000 2.078000       1.918000  
1 1 1 -1  5  24 o 13.32000 2.438000  2.702000       4.875000  
1 1 1 -1  5  25 o 7.772000 2.312000  0.8872000      4.624000  
1 1 1 -1  5  26 o 10.55000 2.774000  -1.100000      5.548000  
1 1 1 -1  5  27 o 5.884000 2.016000  -1.233000      4.032000  
1 1 1 -1  6  1  o 125.2000 0.8883000 -0.4036000     1.777000  
1 1 1 -1  6  2  o 122.7000 0.8716000 1.298000       1.743000  
1 1 1 -1  6  3  o 101.4000 0.7289000 -1.095000      1.458000  
1 1 1 -1  6  4  o 28.71000 0.4710000 -0.3185000     0.9419000 
1 1 1 -1  6  5  o 66.09000 0.5217000 1.376000       1.043000  
1 1 1 -1  6  6  o 34.56000 0.5072000 -0.5801000     1.014000  
1 1 1 -1  6  7  o 34.81000 0.5420000 -1.567000      1.084000  
1 1 1 -1  6  8  o 23.35000 0.7956000 -0.6330000     1.591000  
1 1 1 -1  6  9  o 39.36000 0.5788000 -2.798000      1.158000  
1 1 1 -1  6  10 o 17.81000 1.193000  -2.638000      2.387000  
1 1 1 -1  6  11 o 12.99000 1.736000  -2.685000      3.471000  
1 1 1 -1  6  12 o 28.65000 0.8587000 0.2510000      1.717000  
1 1 1 -1  6  13 o 56.24000 0.7615000 -2.615000      1.523000  
1 1 1 -1  6  14 o 71.54000 0.7396000 -0.2846000E-02 1.479000  
1 1 1 -1  6  15 o 141.8000 1.186000  1.856000       2.372000  
1 1 1 -1  6  16 o 96.46000 0.7726000 -1.412000      1.545000  
1 1 1 -1  6  17 o 25.78000 1.303000  -1.666000      2.607000  
1 1 1 -1  6  18 o 48.64000 0.8111000 2.544000       1.622000  
1 1 1 -1  6  19 o 204.5000 1.464000  -3.861000      2.929000  
1 1 1 -1  6  20 o 214.9000 1.540000  1.148000       3.081000  
1 1 1 -1  6  21 o 93.77000 0.7846000 0.8353000E-01  1.569000  
1 1 1 -1  6  22 o 17.71000 1.902000  -0.5773000     3.805000  
1 1 1 -1  6  23 o 40.93000 0.8809000 2.242000       1.762000  
1 1 1 -1  6  24 o 35.20000 0.9427000 0.6699000E-01  1.885000  
1 1 1 -1  6  25 o 7.850000 2.470000  1.687000       4.939000  
1 1 1 -1  6  26 o 11.13000 2.760000  2.110000       5.520000  
1 1 1 -1  6  27 o 8.296000 2.538000  2.260000       5.077000  
1 1 1 -1  7  1  o 92.83000 0.6738000 2.784000       1.348000  
1 1 1 -1  7  2  o 40.91000 0.5937000 ?              ?         
1 1 1 -1  7  3  o 48.13000 0.5252000 -0.4603000     1.050000  
1 1 1 -1  7  4  o 36.49000 0.4837000 -0.1253000     0.9673000 
1 1 1 -1  7  5  o 151.8000 1.077000  1.515000       2.154000  
1 1 1 -1  7  6  o 87.54000 0.6596000 -0.3283000     1.319000  
1 1 1 -1  7  7  o 122.0000 1.086000  2.241000       2.173000  
1 1 1 -1  7  8  o 191.4000 1.668000  3.065000       3.335000  
1 1 1 -1  7  9  o 88.91000 0.9963000 -1.344000      1.993000  
1 1 1 -1  7  10 o 65.94000 0.7072000 -0.2547000     1.414000  
1 1 1 -1  7  11 o 80.85000 0.7304000 3.737000       1.461000  
1 1 1 -1  7  12 o 109.8000 0.9332000 3.514000       1.866000  
1 1 1 -1  7  13 o 35.99000 0.8587000 0.6249000      1.717000  
1 1 1 -1  7  14 o 136.6000 1.146000  0.5683000      2.292000  
1 1 1 -1  7  15 o 71.99000 0.7557000 -0.1027000     1.511000  
1 1 1 -1  7  16 o 79.18000 0.8034000 1.357000       1.607000  
1 1 1 -1  7  17 o 82.53000 0.8304000 0.1618000      1.661000  
1 1 1 -1  7  18 o 75.43000 0.8208000 2.242000       1.642000  
1 1 1 -1  7  19 o 138.8000 1.034000  2.413000       2.068000  
1 1 1 -1  7  20 o 88.95000 0.7711000 1.188000       1.542000  
1 1 1 -1  7  21 f 19.77000 1.710000  -0.6075000     3.420000  
1 1 1 -1  7  22 o 13.16000 2.268000  6.045000       4.537000  
1 1 1 -1  7  23 o 20.22000 1.642000  3.271000       3.284000  
1 1 1 -1  7  24 o 8.942000 2.296000  4.581000       4.591000  
1 1 1 -1  7  25 o 8.327000 2.419000  -4.636000      4.838000  
1 1 1 -1  7  26 o 6.754000 2.240000  -0.9518000     4.481000  
1 1 1 -1  7  27 o 5.819000 2.862000  ?              ?         
1 1 1 -1  8  1  o 41.06000 0.4726000 0.5799000E-01  0.9452000 
1 1 1 -1  8  2  o 134.9000 0.9603000 4.005000       1.921000  
1 1 1 -1  8  3  o 104.8000 0.7612000 3.150000       1.522000  
1 1 1 -1  8  4  o 80.13000 0.7635000 -2.553000      1.527000  
1 1 1 -1  8  5  f 164.5000 1.434000  1.972000       2.867000  
1 1 1 -1  8  6  o 95.65000 0.8870000 3.587000       1.774000  
1 1 1 -1  8  7  o 51.42000 0.5498000 -0.7018000     1.100000  
1 1 1 -1  8  8  o 32.44000 0.6775000 1.980000       1.355000  
1 1 1 -1  8  9  o 84.88000 0.6717000 0.4988000      1.343000  
1 1 1 -1  8  10 o 61.64000 0.6078000 0.7978000      1.216000  
1 1 1 -1  8  11 o 17.22000 1.426000  -0.3018000     2.852000  
1 1 1 -1  8  12 o 35.13000 0.8076000 -3.392000      1.615000  
1 1 1 -1  8  13 o 43.55000 0.7863000 0.7583000E-01  1.573000  
1 1 1 -1  8  14 o 46.60000 0.7945000 -1.751000      1.589000  
1 1 1 -1  8  15 o 7.033000 2.222000  -0.7874000     4.445000  
1 1 1 -1  8  16 o 31.30000 1.118000  -0.4456000     2.237000  
1 1 1 -1  8  17 o 94.06000 0.8830000 -0.6375000     1.766000  
1 1 1 -1  8  18 o 118.7000 1.044000  1.020000       2.087000  
1 1 1 -1  8  19 o 119.8000 1.054000  0.5533000      2.109000  
1 1 1 -1  8  20 o 73.45000 0.8037000 -1.160000      1.607000  
1 1 1 -1  8  21 o 15.18000 2.193000  -3.990000      4.386000  
1 1 1 -1  8  22 o 9.629000 2.596000  -3.108000      5.193000  
1 1 1 -1  8  23 o 8.212000 2.444000  -1.623000      4.888000  
1 1 1 -1  8  24 o 13.80000 2.830000  4.523000       5.661000  
1 1 1 -1  8  25 f 8.340000 2.564000  0.4766000      5.128000  
1 1 1 -1  8  26 o 14.61000 2.731000  -3.031000      5.463000  
1 1 1 -1  8  27 f 7.097000 3.358000  ?              ?         
1 1 1 -1  9  1  o 133.1000 0.9511000 0.8652000      1.902000  
1 1 1 -1  9  2  o 131.8000 0.9425000 0.7957000      1.885000  
1 1 1 -1  9  3  o 9.326000 1.710000  -0.2383000     3.421000  
1 1 1 -1  9  4  o 85.67000 0.8092000 0.8897000      1.618000  
1 1 1 -1  9  5  o 118.6000 0.8596000 -2.203000      1.719000  
1 1 1 -1  9  6  o 74.40000 0.6061000 -1.578000      1.212000  
1 1 1 -1  9  7  o 32.22000 0.6817000 -0.2440000     1.363000  
1 1 1 -1  9  8  o 58.63000 0.5862000 1.054000       1.172000  
1 1 1 -1  9  9  o 75.56000 0.6373000 2.183000       1.275000  
1 1 1 -1  9  10 o 63.88000 0.6295000 -0.9526000     1.259000  
1 1 1 -1  9  11 o 147.9000 1.070000  -0.4106000E-01 2.140000  
1 1 1 -1  9  12 o 49.49000 0.7359000 -1.484000      1.472000  
1 1 1 -1  9  13 o 22.75000 1.440000  7.788000       2.880000  
1 1 1 -1  9  14 o 64.73000 0.7375000 -1.371000      1.475000  
1 1 1 -1  9  15 o 110.2000 0.9679000 1.476000       1.936000  
1 1 1 -1  9  16 o 95.22000 0.8891000 1.842000       1.778000  
1 1 1 -1  9  17 o 92.64000 0.8685000 1.785000       1.737000  
1 1 1 -1  9  18 o 50.02000 0.8593000 -1.889000      1.719000  
1 1 1 -1  9  19 o 40.23000 0.9513000 -3.242000      1.903000  
1 1 1 -1  9  20 o 34.83000 1.078000  -1.238000      2.156000  
1 1 1 -1  9  21 o 14.30000 2.337000  -9.187000      4.674000  
1 1 1 -1  9  22 o 14.68000 2.310000  -1.961000      4.621000  
1 1 1 -1  9  23 o 11.87000 2.628000  -1.246000      5.256000  
1 1 1 -1  9  24 o 10.32000 2.781000  2.382000       5.562000  
1 1 1 -1  9  25 o 7.627000 2.443000  0.4801000      4.886000  
1 1 1 -1  9  26 o 7.054000 2.337000  0.1867000      4.675000  
1 1 1 -1  10 1  o 96.16000 0.7124000 1.503000       1.425000  
1 1 1 -1  10 2  o 54.25000 0.5155000 0.3916000      1.031000  
1 1 1 -1  10 3  o 51.29000 0.5198000 2.432000       1.040000  
1 1 1 -1  10 4  f 68.57000 0.5792000 1.262000       1.158000  
1 1 1 -1  10 5  o 46.55000 0.5498000 -1.511000      1.100000  
1 1 1 -1  10 6  f 44.71000 0.5761000 3.309000       1.152000  
1 1 1 -1  10 7  o 18.27000 1.172000  -0.8279000     2.344000  
1 1 1 -1  10 8  o 63.75000 0.6105000 0.8192000E-01  1.221000  
1 1 1 -1  10 9  o 49.54000 0.6284000 1.024000       1.257000  
1 1 1 -1  10 10 o 28.41000 0.9502000 -0.1633000     1.900000  
1 1 1 -1  10 11 o 21.80000 1.274000  2.857000       2.548000  
1 1 1 -1  10 12 o 46.92000 0.7441000 -0.5262000     1.488000  
1 1 1 -1  10 13 o 24.30000 1.326000  -1.694000      2.652000  
1 1 1 -1  10 14 o 12.63000 2.386000  3.062000       4.771000  
1 1 1 -1  10 15 o 23.26000 1.484000  0.8487000E-01  2.968000  
1 1 1 -1  10 16 o 23.80000 1.557000  4.972000       3.114000  
1 1 1 -1  10 17 o 35.96000 0.9812000 -2.400000      1.962000  
1 1 1 -1  10 18 o 12.35000 2.321000  -9.085000      4.642000  
1 1 1 -1  10 19 o 36.28000 0.9989000 1.220000       1.998000  
1 1 1 -1  10 20 o 10.08000 2.487000  -2.838000      4.974000  
1 1 1 -1  10 21 o 11.09000 2.485000  1.886000       4.970000  
1 1 1 -1  10 22 o 7.063000 2.185000  1.178000       4.369000  
1 1 1 -1  10 23 o 6.822000 2.248000  -1.913000      4.495000  
1 1 1 -1  10 24 o 12.53000 2.917000  0.5513000      5.835000  
1 1 1 -1  10 25 o 6.060000 2.086000  -0.7480000E-01 4.173000  
1 1 1 -1  10 26 o 7.655000 2.416000  2.712000       4.833000  
1 1 1 -1  11 1  o 91.40000 0.6967000 -2.625000      1.393000  
1 1 1 -1  11 2  o 86.76000 0.6692000 -1.703000      1.338000  
1 1 1 -1  11 3  o 22.92000 0.8714000 2.057000       1.743000  
1 1 1 -1  11 4  o 81.30000 0.6452000 -0.2821000     1.290000  
1 1 1 -1  11 5  f 77.01000 0.6301000 -0.1655000E-01 1.260000  
1 1 1 -1  11 6  o 62.35000 0.5958000 -0.9316000     1.192000  
1 1 1 -1  11 7  o 80.20000 0.6621000 -0.3460000     1.324000  
1 1 1 -1  11 8  o 143.0000 1.034000  1.409000       2.069000  
1 1 1 -1  11 9  o 33.06000 0.8630000 -0.7131000E-01 1.726000  
1 1 1 -1  11 10 o 72.67000 0.6709000 2.504000       1.342000  
1 1 1 -1  11 11 o 52.63000 0.6985000 2.383000       1.397000  
1 1 1 -1  11 12 o 18.61000 1.680000  -1.653000      3.359000  
1 1 1 -1  11 13 o 57.55000 0.7045000 -0.3737000     1.409000  
1 1 1 -1  11 14 o 85.06000 0.8280000 -0.3967000     1.656000  
1 1 1 -1  11 15 o 27.20000 1.246000  4.330000       2.493000  
1 1 1 -1  11 16 o 34.07000 1.065000  1.545000       2.130000  
1 1 1 -1  11 17 o 14.99000 2.270000  0.5521000      4.540000  
1 1 1 -1  11 18 o 22.87000 1.476000  -2.799000      2.951000  
1 1 1 -1  11 19 o 19.07000 2.066000  ?              ?         
1 1 1 -1  11 20 o 7.624000 2.357000  -0.4426000     4.714000  
1 1 1 -1  11 21 o 6.808000 2.166000  0.6875000      4.332000  
1 1 1 -1  11 22 o 9.788000 2.750000  -2.625000      5.499000  
1 1 1 -1  11 23 o 7.101000 2.294000  4.125000       4.589000  
1 1 1 -1  11 24 o 7.578000 2.448000  1.978000       4.895000  
1 1 1 -1  11 25 o 7.636000 2.424000  -1.646000      4.849000  
1 1 1 -1  11 26 o 7.353000 3.458000  ?              ?         
1 1 1 -1  12 1  o 42.68000 0.6231000 0.5098000      1.246000  
1 1 1 -1  12 2  o 76.43000 0.6330000 0.3116000      1.266000  
1 1 1 -1  12 3  o 57.85000 0.5822000 1.240000       1.164000  
1 1 1 -1  12 4  o 74.61000 0.6291000 -0.6234000     1.258000  
1 1 1 -1  12 5  o 80.80000 0.6737000 0.3315000      1.347000  
1 1 1 -1  12 6  o 47.11000 0.7849000 -1.695000      1.570000  
1 1 1 -1  12 7  o 7.438000 2.094000  -1.779000      4.187000  
1 1 1 -1  12 8  o 50.55000 0.6523000 0.2100000E-01  1.305000  
1 1 1 -1  12 9  o 10.56000 2.271000  1.871000       4.542000  
1 1 1 -1  12 10 f 22.85000 1.280000  3.662000       2.560000  
1 1 1 -1  12 11 o 8.199000 2.322000  0.1442000      4.645000  
1 1 1 -1  12 12 o 23.07000 1.361000  0.3952000      2.721000  
1 1 1 -1  12 13 o 7.908000 2.235000  -3.759000      4.470000  
1 1 1 -1  12 14 o 12.34000 2.250000  5.080000       4.500000  
1 1 1 -1  12 15 o 42.51000 0.8685000 -0.2103000     1.737000  
1 1 1 -1  12 16 o 44.18000 0.8421000 -1.813000      1.684000  
1 1 1 -1  12 17 o 31.84000 1.104000  -2.291000      2.208000  
1 1 1 -1  12 18 f 11.31000 2.595000  0.4233000      5.191000  
1 1 1 -1  12 19 f 8.665000 2.473000  -0.9640000     4.946000  
1 1 1 -1  12 20 o 9.364000 2.512000  -2.347000      5.025000  
1 1 1 -1  12 21 o 12.36000 2.890000  -1.369000      5.781000  
1 1 1 -1  12 22 o 11.68000 2.719000  -6.822000      5.437000  
1 1 1 -1  12 23 o 7.640000 2.415000  -4.245000      4.831000  
1 1 1 -1  12 24 o 7.785000 2.478000  1.899000       4.956000  
1 1 1 -1  12 25 o 10.58000 2.676000  -5.945000      5.353000  
1 1 1 -1  13 1  o 50.09000 0.6311000 0.2092000      1.262000  
1 1 1 -1  13 2  o 67.48000 0.6211000 -1.605000      1.242000  
1 1 1 -1  13 3  o 71.52000 0.6361000 -1.484000      1.272000  
1 1 1 -1  13 4  o 47.28000 0.6354000 0.8601000      1.271000  
1 1 1 -1  13 5  o 66.81000 0.6441000 -0.8892000     1.288000  
1 1 1 -1  13 6  o 18.83000 1.428000  -1.126000      2.857000  
1 1 1 -1  13 7  o 46.14000 0.7007000 0.4522000E-01  1.401000  
1 1 1 -1  13 8  o 29.92000 0.9574000 -1.058000      1.915000  
1 1 1 -1  13 9  o 11.78000 2.261000  -2.707000      4.522000  
1 1 1 -1  13 10 o 37.27000 0.8217000 -2.336000      1.643000  
1 1 1 -1  13 11 o 26.06000 1.168000  -1.978000      2.336000  
1 1 1 -1  13 12 o 47.40000 0.8709000 -0.5568000     1.742000  
1 1 1 -1  13 13 o 45.93000 0.7587000 2.507000       1.517000  
1 1 1 -1  13 14 o 56.00000 0.6999000 1.361000       1.400000  
1 1 1 -1  13 15 o 30.68000 1.102000  1.930000       2.204000  
1 1 1 -1  13 16 o 11.37000 2.492000  -1.450000      4.984000  
1 1 1 -1  13 17 o 27.45000 1.228000  -1.518000      2.456000  
1 1 1 -1  13 18 o 23.89000 1.424000  -0.7093000     2.848000  
1 1 1 -1  13 19 o 9.008000 2.535000  -0.7324000     5.070000  
1 1 1 -1  13 20 o 16.40000 2.631000  -4.830000      5.261000  
1 1 1 -1  13 21 o 7.862000 2.464000  -1.243000      4.928000  
1 1 1 -1  13 22 o 6.387000 2.179000  -1.468000      4.359000  
1 1 1 -1  13 23 o 6.797000 2.295000  0.4676000      4.589000  
1 1 1 -1  13 24 o 7.662000 2.452000  1.237000       4.905000  
1 1 1 -1  14 1  o 66.78000 0.6347000 -3.097000      1.269000  
1 1 1 -1  14 2  o 58.72000 0.6263000 0.7206000      1.253000  
1 1 1 -1  14 3  o 15.54000 1.754000  -3.825000      3.509000  
1 1 1 -1  14 4  o 29.45000 0.9026000 3.236000       1.805000  
1 1 1 -1  14 5  o 59.95000 0.6603000 -1.482000      1.321000  
1 1 1 -1  14 6  o 83.71000 0.7078000 -1.960000      1.416000  
1 1 1 -1  14 7  o 80.96000 0.6969000 1.633000       1.394000  
1 1 1 -1  14 8  o 20.29000 1.357000  1.378000       2.714000  
1 1 1 -1  14 9  o 9.127000 2.296000  -0.8077000     4.592000  
1 1 1 -1  14 10 o 19.18000 1.442000  0.6425000      2.884000  
1 1 1 -1  14 11 o 14.45000 1.922000  1.082000       3.844000  
1 1 1 -1  14 12 o 17.17000 1.680000  -2.955000      3.359000  
1 1 1 -1  14 13 f 10.46000 2.300000  -4.184000      4.600000  
1 1 1 -1  14 14 o 12.66000 2.161000  -5.017000      4.322000  
1 1 1 -1  14 15 o 10.89000 2.506000  -4.091000      5.012000  
1 1 1 -1  14 16 o 14.11000 2.193000  3.045000       4.386000  
1 1 1 -1  14 17 o 15.12000 2.233000  0.7228000      4.467000  
1 1 1 -1  14 18 o 7.166000 2.310000  -1.255000      4.620000  
1 1 1 -1  14 19 o 9.775000 2.729000  3.799000       5.458000  
1 1 1 -1  14 20 o 7.399000 2.356000  4.000000       4.712000  
1 1 1 -1  14 21 o 8.744000 2.639000  -1.280000      5.279000  
1 1 1 -1  14 22 o 7.003000 2.346000  -1.066000      4.692000  
1 1 1 -1  14 23 o 8.600000 2.662000  0.3873000      5.324000  
1 1 1 -1  15 1  o 6.120000 1.964000  -0.3309000     3.928000  
1 1 1 -1  15 2  f 42.59000 0.6981000 -0.4682000     1.396000  
1 1 1 -1  15 3  o 9.143000 2.264000  -0.6379000     4.528000  
1 1 1 -1  15 4  o 14.33000 1.877000  6.524000       3.753000  
1 1 1 -1  15 5  o 10.18000 2.275000  0.2604000      4.550000  
1 1 1 -1  15 6  o 19.64000 1.366000  -0.9933000     2.732000  
1 1 1 -1  15 7  o 13.67000 2.016000  5.730000       4.033000  
1 1 1 -1  15 8  o 30.14000 0.9132000 1.488000       1.826000  
1 1 1 -1  15 9  o 52.35000 0.6647000 -0.5854000     1.329000  
1 1 1 -1  15 10 o 28.21000 0.9666000 0.6474000      1.933000  
1 1 1 -1  15 11 o 41.06000 0.7517000 0.7377000      1.503000  
1 1 1 -1  15 12 o 33.18000 0.8875000 -0.3714000E-01 1.775000  
1 1 1 -1  15 13 o 26.14000 1.131000  -1.244000      2.261000  
1 1 1 -1  15 14 o 7.384000 2.212000  2.598000       4.424000  
1 1 1 -1  15 15 o 8.245000 2.237000  4.235000       4.475000  
1 1 1 -1  15 16 o 13.93000 2.251000  -6.072000      4.502000  
1 1 1 -1  15 17 o 17.51000 2.063000  0.4332000      4.126000  
1 1 1 -1  15 18 f 25.85000 1.749000  -3.710000      3.498000  
1 1 1 -1  15 19 o 6.969000 2.287000  -0.2198000     4.573000  
1 1 1 -1  15 20 o 7.588000 2.411000  1.856000       4.821000  
1 1 1 -1  15 21 o 6.455000 2.199000  -0.8198000     4.399000  
1 1 1 -1  15 22 o 5.538000 1.956000  -0.5877000     3.912000  
1 1 1 -1  16 1  o 12.57000 2.054000  1.482000       4.108000  
1 1 1 -1  16 2  o 8.779000 2.227000  -1.197000      4.453000  
1 1 1 -1  16 3  o 6.548000 1.978000  -2.206000      3.955000  
1 1 1 -1  16 4  o 45.70000 0.6578000 -3.658000      1.316000  
1 1 1 -1  16 5  o 11.10000 2.112000  4.714000       4.225000  
1 1 1 -1  16 6  f 26.66000 0.9920000 1.182000       1.984000  
1 1 1 -1  16 7  o 11.28000 2.233000  1.278000       4.465000  
1 1 1 -1  16 8  o 14.13000 1.982000  -0.8735000     3.965000  
1 1 1 -1  16 9  o 26.38000 1.069000  -1.747000      2.138000  
1 1 1 -1  16 10 o 10.08000 2.272000  -2.607000      4.544000  
1 1 1 -1  16 11 o 16.70000 1.716000  1.452000       3.433000  
1 1 1 -1  16 12 o 16.48000 1.760000  -0.3364000     3.521000  
1 1 1 -1  16 13 o 19.67000 1.488000  -1.439000      2.976000  
1 1 1 -1  16 14 o 11.18000 2.313000  4.098000       4.627000  
1 1 1 -1  16 15 o 8.461000 2.391000  0.8170000      4.782000  
1 1 1 -1  16 16 o 7.750000 2.430000  -1.444000      4.859000  
1 1 1 -1  16 17 o 7.290000 2.395000  -0.8923000     4.790000  
1 1 1 -1  16 18 o 7.656000 2.490000  -0.2932000     4.981000  
1 1 1 -1  16 19 o 6.270000 2.145000  -1.821000      4.291000  
1 1 1 -1  16 20 o 9.731000 2.845000  0.7372000      5.690000  
1 1 1 -1  16 21 o 5.880000 2.072000  1.355000       4.144000  
1 1 1 -1  17 1  o 24.08000 1.070000  1.598000       2.140000  
1 1 1 -1  17 2  o 11.97000 2.059000  5.719000       4.118000  
1 1 1 -1  17 3  o 23.96000 1.117000  0.1433000E-01  2.234000  
1 1 1 -1  17 4  o 20.52000 1.271000  -0.9566000     2.542000  
1 1 1 -1  17 5  o 5.871000 1.897000  -1.780000      3.794000  
1 1 1 -1  17 6  o 9.726000 2.329000  0.2497000      4.657000  
1 1 1 -1  17 7  o 18.65000 1.471000  0.5611000      2.943000  
1 1 1 -1  17 8  o 21.74000 1.302000  0.2314000      2.603000  
1 1 1 -1  17 9  o 13.59000 2.091000  -3.884000      4.182000  
1 1 1 -1  17 10 o 8.135000 2.254000  3.682000       4.508000  
1 1 1 -1  17 11 o 11.13000 2.382000  1.543000       4.764000  
1 1 1 -1  17 12 o 6.249000 2.026000  -1.446000      4.051000  
1 1 1 -1  17 13 o 6.253000 2.047000  1.567000       4.094000  
1 1 1 -1  17 14 o 12.70000 2.364000  -2.549000      4.728000  
1 1 1 -1  17 15 o 15.96000 2.831000  1.441000       5.663000  
1 1 1 -1  17 16 o 10.47000 2.903000  -1.145000      5.806000  
1 1 1 -1  17 17 o 8.862000 2.625000  3.876000       5.250000  
1 1 1 -1  17 18 o 5.621000 1.971000  0.5433000      3.942000  
1 1 1 -1  17 19 o 5.603000 1.968000  1.266000       3.937000  
1 1 1 -1  18 1  o 24.26000 1.159000  1.312000       2.319000  
1 1 1 -1  18 2  o 10.76000 2.249000  2.924000       4.499000  
1 1 1 -1  18 3  o 16.13000 1.650000  2.514000       3.300000  
1 1 1 -1  18 4  o 29.66000 0.9609000 -0.9276000     1.922000  
1 1 1 -1  18 5  o 16.73000 1.788000  -2.827000      3.575000  
1 1 1 -1  18 6  f 9.748000 2.409000  0.6507000      4.818000  
1 1 1 -1  18 7  o 10.82000 2.394000  -1.068000      4.788000  
1 1 1 -1  18 8  o 12.64000 2.306000  2.549000       4.612000  
1 1 1 -1  18 9  o 5.499000 1.849000  -1.577000      3.699000  
1 1 1 -1  18 10 o 8.522000 2.409000  0.9252000      4.818000  
1 1 1 -1  18 11 o 7.683000 2.310000  0.3237000      4.620000  
1 1 1 -1  18 12 o 8.332000 2.334000  -3.994000      4.668000  
1 1 1 -1  18 13 o 11.13000 2.485000  1.555000       4.971000  
1 1 1 -1  18 14 o 6.870000 2.305000  0.7932000      4.610000  
1 1 1 -1  18 15 o 6.962000 2.308000  -1.158000      4.616000  
1 1 1 -1  18 16 o 6.107000 2.114000  1.279000       4.229000  
1 1 1 -1  18 17 o 5.868000 2.055000  -0.6819000     4.110000  
1 1 1 -1  19 1  o 6.109000 2.005000  1.110000       4.010000  
1 1 1 -1  19 2  o 8.941000 2.326000  3.272000       4.652000  
1 1 1 -1  19 3  f 10.12000 2.286000  -5.579000      4.572000  
1 1 1 -1  19 4  o 12.87000 2.210000  6.775000       4.419000  
1 1 1 -1  19 5  o 13.48000 2.281000  -5.858000      4.562000  
1 1 1 -1  19 6  o 6.357000 2.080000  -1.406000      4.159000  
1 1 1 -1  19 7  o 5.326000 1.838000  -0.1542000     3.677000  
1 1 1 -1  19 8  o 9.638000 2.546000  0.8335000      5.092000  
1 1 1 -1  19 9  o 5.969000 2.012000  1.380000       4.024000  
1 1 1 -1  19 10 f 6.483000 2.109000  2.898000       4.217000  
1 1 1 -1  19 11 o 5.983000 1.966000  -3.508000      3.932000  
1 1 1 -1  19 12 o 7.303000 2.183000  -3.842000      4.366000  
1 1 1 -1  19 13 o 7.195000 2.369000  0.4665000      4.737000  
1 1 1 -1  19 14 o 6.454000 2.203000  -0.2901000E-01 4.406000  
1 1 1 -1  19 15 o 7.166000 2.395000  -0.8464000E-01 4.789000  
1 1 1 -1  20 1  o 7.661000 2.371000  0.9051000      4.743000  
1 1 1 -1  20 2  o 6.730000 2.178000  -1.170000      4.356000  
1 1 1 -1  20 3  o 8.836000 2.408000  -4.335000      4.817000  
1 1 1 -1  20 4  o 9.436000 2.451000  4.658000       4.903000  
1 1 1 -1  20 5  o 11.01000 2.652000  3.221000       5.303000  
1 1 1 -1  20 6  o 6.294000 2.113000  0.8344000      4.227000  
1 1 1 -1  20 7  o 15.81000 2.308000  1.401000       4.615000  
1 1 1 -1  20 8  o 16.70000 2.180000  0.2678000      4.359000  
1 1 1 -1  20 9  o 6.657000 2.180000  0.3035000      4.361000  
1 1 1 -1  20 10 o 7.237000 2.367000  1.535000       4.734000  
1 1 1 -1  20 11 o 7.197000 2.410000  1.002000       4.820000  
1 1 1 -1  20 12 o 6.004000 2.098000  -0.5169000     4.196000  
1 1 1 -1  21 1  o 6.152000 2.063000  1.185000       4.126000  
1 1 1 -1  21 2  o 9.376000 2.497000  4.612000       4.995000  
1 1 1 -1  21 3  o 8.488000 2.504000  2.958000       5.009000  
1 1 1 -1  21 4  o 14.47000 2.541000  1.380000       5.081000  
1 1 1 -1  21 5  o 10.43000 2.268000  -8.532000      4.536000  
1 1 1 -1  21 6  o 11.27000 2.619000  5.304000       5.238000  
1 1 1 -1  21 7  o 6.189000 2.091000  0.2958000      4.182000  
1 1 1 0   0  4  o 149.0000 1.483000  -0.000000      0.000000  
1 1 1 0   0  5  o 34.61000 0.5045000 -0.000000      0.000000  
1 1 1 0   0  6  o 200.0000 1.988000  0.000000       0.000000  
1 1 1 0   0  7  o 93.62000 0.9586000 -0.000000      0.000000  
1 1 1 0   0  8  o 5.310000 2.711000  0.000000       0.000000  
1 1 1 0   0  9  o 33.48000 0.7091000 0.000000       0.000000  
1 1 1 0   0  10 o 16.94000 1.336000  0.000000       0.000000  
1 1 1 0   0  11 o 24.78000 1.140000  -0.000000      0.000000  
1 1 1 0   0  12 o 67.11000 0.8332000 0.000000       0.000000  
1 1 1 0   0  13 o 32.38000 1.038000  0.000000       0.000000  
1 1 1 0   0  14 o 5.088000 3.190000  -0.000000      0.000000  
1 1 1 0   0  15 o 13.74000 3.000000  0.000000       0.000000  
1 1 1 0   0  16 f 6.652000 3.774000  0.000000       0.000000  
1 1 1 0   0  17 o 10.19000 4.201000  0.000000       0.000000  
1 1 1 0   0  18 o 71.10000 1.002000  0.000000       0.000000  
1 1 1 0   0  19 o 37.67000 1.380000  -0.000000      0.000000  
1 1 1 0   0  20 f 22.02000 2.378000  0.000000       0.000000  
1 1 1 0   0  21 o 124.6000 1.346000  -0.000000      0.000000  
1 1 1 0   0  22 o 13.44000 4.188000  0.000000       0.000000  
1 1 1 0   0  23 o 36.65000 1.413000  0.000000       0.000000  
1 1 1 0   0  24 o 25.66000 1.943000  0.000000       0.000000  
1 1 1 0   0  25 o 7.246000 4.042000  -0.000000      0.000000  
1 1 1 0   0  26 o 4.382000 3.029000  0.000000       0.000000  
1 1 1 0   1  2  o 32.73000 0.3741000 -0.7940000     0.7483000 
1 1 1 0   1  3  o 28.23000 0.4072000 0.9233000      0.8145000 
1 1 1 0   1  4  o 53.19000 0.4086000 0.2252000      0.8172000 
1 1 1 0   1  5  o 94.69000 0.6772000 1.365000       1.354000  
1 1 1 0   1  6  o 179.1000 1.260000  -2.005000      2.520000  
1 1 1 0   1  7  o 118.9000 0.8472000 0.4119000      1.694000  
1 1 1 0   1  8  o 12.50000 1.023000  0.1645000      2.045000  
1 1 1 0   1  9  o 46.67000 0.4619000 0.3832000      0.9237000 
1 1 1 0   1  10 o 77.01000 0.5956000 -0.6866000E-02 1.191000  
1 1 1 0   1  11 o 86.24000 0.6636000 -1.638000      1.327000  
1 1 1 0   1  12 o 42.74000 0.5875000 0.7099000      1.175000  
1 1 1 0   1  13 o 104.1000 0.7810000 -2.766000      1.562000  
1 1 1 0   1  14 o 72.20000 0.6337000 1.076000       1.267000  
1 1 1 0   1  15 o 152.6000 1.101000  1.298000       2.202000  
1 1 1 0   1  16 o 108.4000 0.8258000 -0.3193000     1.652000  
1 1 1 0   1  17 o 72.28000 0.6831000 0.7676000      1.366000  
1 1 1 0   1  18 o 125.4000 0.9413000 -0.6700000     1.883000  
1 1 1 0   1  19 o 245.0000 1.741000  -1.744000      3.483000  
1 1 1 0   1  20 o 62.22000 0.7717000 0.5374000      1.543000  
1 1 1 0   1  21 o 144.2000 1.070000  1.194000       2.141000  
1 1 1 0   1  22 o 34.91000 1.052000  -0.1885000     2.104000  
1 1 1 0   1  23 o 41.20000 0.9302000 -0.9496000     1.860000  
1 1 1 0   1  24 o 19.80000 1.757000  0.4675000      3.515000  
1 1 1 0   1  25 o 8.850000 2.389000  -3.326000      4.777000  
1 1 1 0   1  26 o 6.825000 2.153000  -0.5342000     4.306000  
1 1 1 0   2  3  o 142.4000 1.162000  -2.539000      2.325000  
1 1 1 0   2  4  o 81.03000 0.5842000 -0.1884000     1.168000  
1 1 1 0   2  5  o 252.1000 2.508000  -0.9846000     5.016000  
1 1 1 0   2  7  o 200.4000 1.411000  -2.323000      2.821000  
1 1 1 0   2  8  o 60.61000 0.4968000 -0.2546000     0.9935000 
1 1 1 0   2  9  o 47.54000 0.4735000 -0.1001000     0.9470000 
1 1 1 0   2  10 f 70.44000 0.5670000 -0.2990000     1.134000  
1 1 1 0   2  11 f 84.37000 0.6572000 -1.883000      1.314000  
1 1 1 0   2  12 o 28.88000 0.7799000 2.365000       1.560000  
1 1 1 0   2  13 o 36.57000 0.6985000 -1.190000      1.397000  
1 1 1 0   2  14 o 32.71000 0.7916000 -1.795000      1.583000  
1 1 1 0   2  15 o 28.37000 0.9580000 0.6834000      1.916000  
1 1 1 0   2  16 o 35.25000 0.8776000 0.7595000      1.755000  
1 1 1 0   2  17 o 45.10000 0.7918000 0.9468000E-02  1.584000  
1 1 1 0   2  18 o 62.46000 0.7307000 -0.2097000     1.461000  
1 1 1 0   2  19 o 136.0000 1.014000  0.2408000E-01  2.029000  
1 1 1 0   2  20 o 100.2000 0.8238000 -0.4175000     1.648000  
1 1 1 0   2  21 o 46.92000 0.8881000 3.043000       1.776000  
1 1 1 0   2  22 o 21.97000 1.656000  4.558000       3.313000  
1 1 1 0   2  23 o 35.05000 1.026000  -1.190000      2.051000  
1 1 1 0   2  24 o 15.59000 2.312000  -2.911000      4.624000  
1 1 1 0   2  25 o 8.935000 2.495000  -0.3902000     4.990000  
1 1 1 0   2  26 o 7.842000 2.404000  -0.6706000E-01 4.808000  
1 1 1 0   3  1  o 73.08000 0.5256000 0.7383000      1.051000  
1 1 1 0   3  2  o 72.11000 0.5238000 -0.9267000     1.048000  
1 1 1 0   3  3  o 78.03000 0.5667000 -0.7587000     1.133000  
1 1 1 0   3  4  o 78.94000 0.5776000 1.269000       1.155000  
1 1 1 0   3  5  o 59.92000 0.5348000 0.1427000      1.070000  
1 1 1 0   3  6  o 109.9000 0.7859000 -1.192000      1.572000  
1 1 1 0   3  7  o 59.04000 0.4881000 0.5053000      0.9762000 
1 1 1 0   3  8  o 100.1000 0.8893000 1.293000       1.779000  
1 1 1 0   3  9  o 48.06000 0.6090000 0.8284000      1.218000  
1 1 1 0   3  10 o 38.29000 0.5610000 -0.8155000     1.122000  
1 1 1 0   3  11 o 60.25000 0.5644000 2.095000       1.129000  
1 1 1 0   3  12 o 46.26000 0.5902000 1.265000       1.180000  
1 1 1 0   3  13 o 60.27000 0.6021000 1.204000       1.204000  
1 1 1 0   3  14 o 132.0000 0.9607000 -0.8746000     1.921000  
1 1 1 0   3  15 o 140.7000 1.022000  -0.5870000     2.045000  
1 1 1 0   3  16 o 72.23000 0.6758000 0.4089000      1.352000  
1 1 1 0   3  17 o 66.86000 0.6874000 0.3247000      1.375000  
1 1 1 0   3  18 o 218.6000 1.558000  4.472000       3.115000  
1 1 1 0   3  19 o 108.3000 0.8573000 0.2312000      1.715000  
1 1 1 0   3  20 o 160.6000 1.172000  0.3551000      2.343000  
1 1 1 0   3  21 o 106.3000 0.8519000 -2.537000      1.704000  
1 1 1 0   3  22 o 10.25000 2.568000  -2.509000      5.137000  
1 1 1 0   3  23 o 23.38000 1.474000  -0.6823000     2.948000  
1 1 1 0   3  24 o 17.48000 1.897000  -0.3131000     3.794000  
1 1 1 0   3  25 o 8.107000 2.313000  -4.204000      4.627000  
1 1 1 0   3  26 o 9.799000 2.837000  2.975000       5.674000  
1 1 1 0   4  0  o 151.0000 1.504000  1.519000       3.008000  
1 1 1 0   4  2  o 177.8000 1.250000  1.489000       2.500000  
1 1 1 0   4  3  o 236.1000 1.658000  6.369000       3.317000  
1 1 1 0   4  4  o 187.6000 1.321000  -2.768000      2.641000  
1 1 1 0   4  5  o 70.98000 0.5409000 0.2268000      1.082000  
1 1 1 0   4  6  o 94.31000 0.7897000 1.081000       1.579000  
1 1 1 0   4  7  o 62.44000 0.5828000 -0.1196000     1.166000  
1 1 1 0   4  8  o 97.01000 0.7101000 0.2153000      1.420000  
1 1 1 0   4  9  o 60.66000 0.5354000 0.2861000      1.071000  
1 1 1 0   4  10 o 31.18000 0.6652000 0.9022000      1.330000  
1 1 1 0   4  11 o 42.74000 0.5810000 -1.445000      1.162000  
1 1 1 0   4  12 o 24.93000 0.9078000 -3.461000      1.816000  
1 1 1 0   4  13 o 31.80000 0.7987000 -0.6039000     1.597000  
1 1 1 0   4  14 o 37.93000 0.7413000 1.287000       1.483000  
1 1 1 0   4  15 o 12.06000 2.174000  3.409000       4.347000  
1 1 1 0   4  16 o 13.06000 2.105000  4.859000       4.210000  
1 1 1 0   4  17 o 35.41000 0.9578000 -0.2570000     1.916000  
1 1 1 0   4  18 o 100.8000 0.8158000 -0.2416000     1.632000  
1 1 1 0   4  19 o 85.37000 0.7654000 -3.070000      1.531000  
1 1 1 0   4  20 o 75.31000 0.7575000 0.2470000      1.515000  
1 1 1 0   4  21 o 27.62000 1.846000  0.8565000      3.692000  
1 1 1 0   4  22 f 23.91000 1.477000  -3.710000      2.953000  
1 1 1 0   4  23 o 22.05000 1.553000  -3.286000      3.106000  
1 1 1 0   4  24 o 12.15000 2.211000  8.856000       4.421000  
1 1 1 0   4  25 o 18.76000 1.812000  1.674000       3.625000  
1 1 1 0   4  26 o 7.413000 2.450000  -0.9826000     4.900000  
1 1 1 0   5  1  o 29.93000 0.3704000 -0.2673000     0.7408000 
1 1 1 0   5  2  o 61.81000 0.4743000 -0.5427000     0.9486000 
1 1 1 0   5  3  o 78.19000 0.5771000 0.5726000      1.154000  
1 1 1 0   5  4  o 25.14000 0.5151000 0.8588000      1.030000  
1 1 1 0   5  5  o 75.44000 0.5733000 -0.5939000     1.147000  
1 1 1 0   5  6  o 35.19000 0.4828000 -0.9727000E-01 0.9655000 
1 1 1 0   5  7  o 83.40000 0.7203000 -0.3721000     1.441000  
1 1 1 0   5  8  o 136.4000 1.126000  -0.4040000     2.252000  
1 1 1 0   5  9  o 85.52000 0.7456000 1.251000       1.491000  
1 1 1 0   5  10 o 55.32000 0.5544000 1.662000       1.109000  
1 1 1 0   5  11 o 134.7000 0.9722000 -0.3798000     1.944000  
1 1 1 0   5  12 f 143.0000 1.029000  -0.7245000     2.058000  
1 1 1 0   5  13 o 82.57000 0.6720000 0.7016000      1.344000  
1 1 1 0   5  14 o 74.58000 0.6528000 3.931000       1.306000  
1 1 1 0   5  15 o 42.81000 0.7355000 -2.010000      1.471000  
1 1 1 0   5  16 o 74.82000 0.6965000 -0.6635000E-01 1.393000  
1 1 1 0   5  17 o 132.3000 0.9805000 1.110000       1.961000  
1 1 1 0   5  18 o 102.8000 0.8250000 -1.187000      1.650000  
1 1 1 0   5  19 f 152.5000 1.119000  -1.621000      2.238000  
1 1 1 0   5  20 o 100.2000 0.8170000 0.2534000      1.634000  
1 1 1 0   5  21 o 48.76000 0.8048000 1.311000       1.610000  
1 1 1 0   5  22 o 13.33000 2.436000  -2.954000      4.873000  
1 1 1 0   5  23 o 8.549000 2.358000  3.931000       4.717000  
1 1 1 0   5  24 o 12.65000 2.353000  -4.392000      4.706000  
1 1 1 0   5  25 o 25.05000 1.483000  0.4099000      2.967000  
1 1 1 0   5  26 o 8.918000 2.602000  -4.947000      5.204000  
1 1 1 0   6  0  o 119.3000 1.199000  2.341000       2.398000  
1 1 1 0   6  1  o 152.7000 1.077000  -2.081000      2.155000  
1 1 1 0   6  2  o 221.2000 1.555000  -3.418000      3.111000  
1 1 1 0   6  3  o 148.2000 1.048000  -1.568000      2.096000  
1 1 1 0   6  4  o 95.47000 0.6943000 0.7784000      1.389000  
1 1 1 0   6  5  o 10.41000 1.352000  -3.216000      2.705000  
1 1 1 0   6  6  o 71.99000 0.5671000 -1.302000      1.134000  
1 1 1 0   6  7  o 81.34000 0.6249000 0.7476000      1.250000  
1 1 1 0   6  8  o 72.95000 0.6766000 -2.307000      1.353000  
1 1 1 0   6  9  o 31.91000 0.7042000 0.6777000      1.408000  
1 1 1 0   6  10 o 65.21000 0.6533000 -0.2431000     1.307000  
1 1 1 0   6  11 o 64.62000 0.6565000 1.556000       1.313000  
1 1 1 0   6  12 o 28.57000 0.9348000 1.475000       1.870000  
1 1 1 0   6  13 o 37.03000 0.7159000 -0.9253000     1.432000  
1 1 1 0   6  14 o 36.90000 0.7820000 -0.2719000     1.564000  
1 1 1 0   6  15 o 30.57000 0.9458000 -2.554000      1.892000  
1 1 1 0   6  16 o 73.20000 0.7009000 1.015000       1.402000  
1 1 1 0   6  17 o 74.33000 0.7077000 -1.659000      1.415000  
1 1 1 0   6  18 o 75.08000 0.9172000 -0.3019000     1.834000  
1 1 1 0   6  19 o 58.34000 0.7777000 2.144000       1.555000  
1 1 1 0   6  20 o 42.19000 0.9239000 -0.9844000     1.848000  
1 1 1 0   6  21 f 70.49000 0.7221000 1.390000       1.444000  
1 1 1 0   6  22 o 13.90000 2.380000  -0.2929000E-01 4.760000  
1 1 1 0   6  23 o 9.714000 2.393000  -4.782000      4.786000  
1 1 1 0   6  24 o 15.21000 2.118000  1.906000       4.235000  
1 1 1 0   6  25 o 17.54000 2.407000  3.132000       4.814000  
1 1 1 0   6  26 o 10.21000 2.752000  2.811000       5.503000  
1 1 1 0   7  1  o 46.85000 0.4319000 -1.740000      0.8638000 
1 1 1 0   7  2  o 61.15000 0.5959000 -2.003000      1.192000  
1 1 1 0   7  3  o 72.31000 0.5585000 1.823000       1.117000  
1 1 1 0   7  4  o 24.40000 0.6474000 -0.7131000     1.295000  
1 1 1 0   7  5  f 46.84000 0.4952000 1.366000       0.9905000 
1 1 1 0   7  6  o 52.00000 0.5250000 -0.5864000E-01 1.050000  
1 1 1 0   7  7  o 85.66000 0.8153000 1.396000       1.631000  
1 1 1 0   7  8  f 166.6000 1.183000  3.950000       2.366000  
1 1 1 0   7  9  o 98.38000 0.8347000 2.669000       1.669000  
1 1 1 0   7  10 o 169.0000 1.382000  2.573000       2.763000  
1 1 1 0   7  11 o 67.95000 0.6710000 2.546000       1.342000  
1 1 1 0   7  12 o 94.40000 0.8416000 -0.9035000     1.683000  
1 1 1 0   7  13 o 47.82000 0.7522000 -0.4566000     1.504000  
1 1 1 0   7  14 o 33.53000 1.521000  ?              ?         
1 1 1 0   7  15 o 105.9000 0.9334000 1.586000       1.867000  
1 1 1 0   7  16 o 110.6000 0.8501000 -0.7556000     1.700000  
1 1 1 0   7  17 o 158.6000 1.153000  2.615000       2.307000  
1 1 1 0   7  18 o 75.12000 0.7490000 0.5056000      1.498000  
1 1 1 0   7  19 o 67.37000 0.7277000 -2.008000      1.455000  
1 1 1 0   7  20 o 64.30000 0.7323000 -1.264000      1.465000  
1 1 1 0   7  21 o 42.39000 0.8679000 -0.9055000     1.736000  
1 1 1 0   7  22 o 18.94000 1.873000  9.341000       3.747000  
1 1 1 0   7  23 o 15.66000 2.150000  -4.552000      4.300000  
1 1 1 0   7  24 o 9.190000 2.510000  -4.431000      5.020000  
1 1 1 0   7  25 o 11.68000 2.676000  -5.864000      5.352000  
1 1 1 0   7  26 o 9.967000 2.774000  -0.3796000     5.547000  
1 1 1 0   8  0  o 102.5000 1.054000  0.4856000      2.107000  
1 1 1 0   8  1  o 227.0000 1.964000  1.089000       3.929000  
1 1 1 0   8  2  o 153.1000 1.085000  -1.979000      2.169000  
1 1 1 0   8  3  o 164.1000 1.429000  -2.710000      2.857000  
1 1 1 0   8  4  o 90.05000 0.9570000 -1.818000      1.914000  
1 1 1 0   8  5  o 22.02000 1.113000  1.364000       2.227000  
1 1 1 0   8  6  o 22.20000 0.8616000 0.8712000      1.723000  
1 1 1 0   8  7  o 45.67000 0.5616000 0.1012000      1.123000  
1 1 1 0   8  8  o 167.0000 1.189000  0.3622000      2.378000  
1 1 1 0   8  9  o 85.65000 0.8512000 0.1321000      1.702000  
1 1 1 0   8  10 o 49.64000 0.7125000 ?              ?         
1 1 1 0   8  11 f 22.74000 1.124000  -4.941000      2.249000  
1 1 1 0   8  12 o 21.09000 1.333000  -3.316000      2.666000  
1 1 1 0   8  13 o 9.998000 2.238000  -6.568000      4.476000  
1 1 1 0   8  14 o 48.82000 0.7880000 -0.2820000     1.576000  
1 1 1 0   8  15 o 65.13000 0.7823000 0.9491000      1.565000  
1 1 1 0   8  16 o 49.45000 0.8141000 -2.063000      1.628000  
1 1 1 0   8  17 o 43.49000 0.9157000 0.9077000      1.831000  
1 1 1 0   8  18 o 46.47000 0.9159000 -2.430000      1.832000  
1 1 1 0   8  19 o 47.67000 0.9373000 2.525000       1.875000  
1 1 1 0   8  20 f 54.56000 0.7367000 1.445000       1.473000  
1 1 1 0   8  21 o 15.71000 2.110000  2.062000       4.220000  
1 1 1 0   8  22 o 10.61000 2.381000  -4.138000      4.763000  
1 1 1 0   8  23 f 16.72000 2.019000  0.9423000      4.037000  
1 1 1 0   8  24 o 9.318000 2.697000  -2.215000      5.394000  
1 1 1 0   8  25 o 8.486000 2.605000  0.5131000      5.210000  
1 1 1 0   8  26 o 7.307000 3.392000  ?              ?         
1 1 1 0   9  1  o 58.55000 0.5141000 -0.7180000     1.028000  
1 1 1 0   9  2  o 79.53000 0.6114000 0.2573000      1.223000  
1 1 1 0   9  3  f 89.12000 0.6685000 1.109000       1.337000  
1 1 1 0   9  4  o 56.17000 0.6562000 2.298000       1.312000  
1 1 1 0   9  5  o 19.33000 1.016000  3.341000       2.032000  
1 1 1 0   9  6  o 78.18000 0.6240000 0.8322000      1.248000  
1 1 1 0   9  7  o 28.60000 0.7743000 -0.6133000     1.549000  
1 1 1 0   9  8  o 21.17000 1.079000  -2.027000      2.158000  
1 1 1 0   9  9  o 147.4000 1.061000  -2.432000      2.122000  
1 1 1 0   9  10 o 122.4000 0.9020000 0.7941000      1.804000  
1 1 1 0   9  11 o 39.27000 0.7796000 -2.591000      1.559000  
1 1 1 0   9  12 o 71.88000 0.7357000 2.267000       1.471000  
1 1 1 0   9  13 o 84.14000 0.8085000 -0.4270000E-01 1.617000  
1 1 1 0   9  14 o 61.41000 0.7779000 1.477000       1.556000  
1 1 1 0   9  15 o 52.26000 0.8214000 0.9576000E-01  1.643000  
1 1 1 0   9  16 o 58.45000 0.7921000 1.147000       1.584000  
1 1 1 0   9  17 o 41.82000 0.9738000 -0.5452000E-01 1.948000  
1 1 1 0   9  18 o 57.53000 0.8106000 -1.614000      1.621000  
1 1 1 0   9  19 o 59.34000 0.7686000 1.306000       1.537000  
1 1 1 0   9  20 o 62.97000 0.7759000 2.482000       1.552000  
1 1 1 0   9  21 o 42.22000 0.8791000 1.731000       1.758000  
1 1 1 0   9  22 o 5.802000 1.990000  0.9797000      3.979000  
1 1 1 0   9  23 o 14.39000 2.443000  1.489000       4.887000  
1 1 1 0   9  24 o 10.19000 2.575000  6.822000       5.149000  
1 1 1 0   9  25 f 13.02000 2.897000  2.039000       5.795000  
1 1 1 0   9  26 o 7.095000 3.294000  ?              ?         
1 1 1 0   10 0  o 134.3000 1.362000  -0.1491000     2.723000  
1 1 1 0   10 1  o 37.70000 0.7796000 -1.300000      1.559000  
1 1 1 0   10 2  o 47.20000 0.5183000 0.1439000      1.037000  
1 1 1 0   10 3  o 111.4000 0.8107000 0.1315000E-01  1.621000  
1 1 1 0   10 4  o 98.88000 0.7349000 3.338000       1.470000  
1 1 1 0   10 5  f 36.18000 0.6211000 2.087000       1.242000  
1 1 1 0   10 6  o 37.90000 0.6342000 1.251000       1.268000  
1 1 1 0   10 7  o 108.2000 0.8048000 1.282000       1.610000  
1 1 1 0   10 8  o 141.3000 1.021000  0.6436000      2.042000  
1 1 1 0   10 9  o 74.11000 0.6514000 2.329000       1.303000  
1 1 1 0   10 10 o 10.08000 2.206000  -4.181000      4.411000  
1 1 1 0   10 11 o 32.82000 1.012000  -2.122000      2.024000  
1 1 1 0   10 12 o 29.06000 1.051000  -3.722000      2.102000  
1 1 1 0   10 13 o 41.89000 0.8918000 -0.9758000     1.784000  
1 1 1 0   10 14 o 49.14000 0.8160000 -1.646000      1.632000  
1 1 1 0   10 15 o 24.99000 1.442000  -2.657000      2.884000  
1 1 1 0   10 16 o 13.82000 2.415000  3.565000       4.831000  
1 1 1 0   10 17 o 10.01000 2.560000  -3.078000      5.119000  
1 1 1 0   10 18 o 11.77000 2.495000  -5.497000      4.990000  
1 1 1 0   10 19 o 17.99000 2.056000  0.8315000      4.112000  
1 1 1 0   10 20 o 13.68000 2.466000  2.740000       4.932000  
1 1 1 0   10 21 o 15.21000 2.316000  5.304000       4.632000  
1 1 1 0   10 22 o 9.902000 2.376000  3.377000       4.752000  
1 1 1 0   10 23 o 10.70000 2.727000  -1.636000      5.454000  
1 1 1 0   10 24 o 7.525000 2.426000  1.479000       4.852000  
1 1 1 0   10 25 o 8.021000 2.529000  -1.476000      5.058000  
1 1 1 0   11 1  o 41.49000 0.5766000 0.5387000      1.153000  
1 1 1 0   11 2  f 22.25000 0.9111000 2.728000       1.822000  
1 1 1 0   11 3  o 65.86000 0.5721000 -0.7141000     1.144000  
1 1 1 0   11 4  o 81.58000 0.6518000 -0.8328000     1.304000  
1 1 1 0   11 5  o 28.44000 0.8135000 1.009000       1.627000  
1 1 1 0   11 6  f 18.99000 1.347000  -1.444000      2.694000  
1 1 1 0   11 7  o 97.38000 0.7586000 2.501000       1.517000  
1 1 1 0   11 8  o 16.31000 1.565000  -1.699000      3.130000  
1 1 1 0   11 9  o 49.38000 0.6948000 -1.208000      1.390000  
1 1 1 0   11 10 o 78.89000 0.6949000 0.9273000      1.390000  
1 1 1 0   11 11 o 81.91000 0.7219000 1.121000       1.444000  
1 1 1 0   11 12 o 28.99000 1.110000  2.742000       2.220000  
1 1 1 0   11 13 o 47.12000 0.8344000 -0.1984000     1.669000  
1 1 1 0   11 14 o 9.403000 2.458000  1.531000       4.915000  
1 1 1 0   11 15 o 20.77000 1.627000  0.7184000      3.254000  
1 1 1 0   11 16 o 43.96000 0.8875000 2.549000       1.775000  
1 1 1 0   11 17 o 24.52000 1.419000  2.215000       2.837000  
1 1 1 0   11 18 o 9.004000 2.507000  -2.744000      5.014000  
1 1 1 0   11 19 o 20.71000 1.658000  -0.3757000     3.316000  
1 1 1 0   11 20 o 17.66000 2.104000  3.276000       4.208000  
1 1 1 0   11 21 o 15.28000 2.261000  -4.113000      4.522000  
1 1 1 0   11 22 o 10.84000 2.791000  3.774000       5.581000  
1 1 1 0   11 23 o 9.993000 2.731000  -4.057000      5.462000  
1 1 1 0   11 24 o 12.23000 2.829000  -3.382000      5.658000  
1 1 1 0   11 25 o 6.786000 3.243000  ?              ?         
1 1 1 0   12 0  o 233.7000 2.343000  1.475000       4.687000  
1 1 1 0   12 1  o 121.1000 0.8829000 0.8824000      1.766000  
1 1 1 0   12 2  o 26.68000 0.8603000 -2.549000      1.721000  
1 1 1 0   12 3  o 66.84000 0.5988000 -0.4712000E-01 1.198000  
1 1 1 0   12 4  o 100.9000 0.7659000 -1.791000      1.532000  
1 1 1 0   12 5  o 111.7000 0.8354000 -1.096000      1.671000  
1 1 1 0   12 6  o 36.24000 0.7535000 -0.2112000     1.507000  
1 1 1 0   12 7  o 11.78000 2.165000  4.258000       4.329000  
1 1 1 0   12 8  o 69.94000 0.6557000 0.9015000      1.311000  
1 1 1 0   12 9  o 10.72000 2.161000  -4.329000      4.322000  
1 1 1 0   12 10 o 37.97000 0.8640000 1.099000       1.728000  
1 1 1 0   12 11 o 35.80000 0.9127000 1.253000       1.825000  
1 1 1 0   12 12 o 11.28000 2.590000  2.606000       5.181000  
1 1 1 0   12 13 o 8.871000 2.409000  2.135000       4.818000  
1 1 1 0   12 14 o 24.01000 1.419000  2.018000       2.839000  
1 1 1 0   12 15 o 13.19000 2.223000  -8.622000      4.446000  
1 1 1 0   12 16 o 9.953000 2.483000  -3.639000      4.966000  
1 1 1 0   12 17 o 15.46000 2.240000  1.393000       4.479000  
1 1 1 0   12 18 o 17.54000 2.041000  -2.162000      4.082000  
1 1 1 0   12 19 o 9.619000 2.469000  1.923000       4.937000  
1 1 1 0   12 20 o 8.714000 2.476000  0.2131000E-01  4.953000  
1 1 1 0   12 21 o 8.639000 2.570000  -2.175000      5.141000  
1 1 1 0   12 22 o 7.333000 2.356000  2.973000       4.712000  
1 1 1 0   12 23 o 8.302000 2.575000  2.400000       5.151000  
1 1 1 0   12 24 o 7.132000 2.338000  -0.9136000     4.675000  
1 1 1 0   13 1  o 61.61000 0.6129000 -0.5862000     1.226000  
1 1 1 0   13 2  o 65.99000 0.6158000 -0.4683000     1.232000  
1 1 1 0   13 3  o 50.46000 0.6139000 0.2766000      1.228000  
1 1 1 0   13 4  o 14.43000 1.731000  3.663000       3.462000  
1 1 1 0   13 5  o 27.40000 1.024000  0.9918000      2.048000  
1 1 1 0   13 6  o 8.811000 2.159000  -3.482000      4.318000  
1 1 1 0   13 7  o 57.77000 0.6617000 1.101000       1.323000  
1 1 1 0   13 8  o 53.60000 0.6877000 -0.6786000     1.375000  
1 1 1 0   13 9  o 58.89000 0.6762000 -0.3617000E-01 1.352000  
1 1 1 0   13 10 o 42.95000 0.7854000 0.9919000E-01  1.571000  
1 1 1 0   13 11 o 23.10000 1.349000  -1.086000      2.698000  
1 1 1 0   13 12 o 64.65000 0.7047000 -1.015000      1.409000  
1 1 1 0   13 13 o 48.36000 0.8593000 2.013000       1.719000  
1 1 1 0   13 14 o 16.25000 2.049000  2.370000       4.097000  
1 1 1 0   13 15 o 9.368000 2.446000  -2.925000      4.892000  
1 1 1 0   13 16 o 17.57000 1.869000  -0.4009000     3.739000  
1 1 1 0   13 17 o 29.20000 1.229000  -0.5847000     2.458000  
1 1 1 0   13 18 o 15.46000 2.304000  4.766000       4.608000  
1 1 1 0   13 19 o 7.765000 2.488000  -0.9178000     4.975000  
1 1 1 0   13 20 o 11.30000 2.713000  -3.826000      5.427000  
1 1 1 0   13 21 o 6.820000 2.276000  0.8806000      4.551000  
1 1 1 0   13 22 o 9.251000 2.586000  -5.513000      5.172000  
1 1 1 0   13 23 o 5.779000 2.019000  0.7986000      4.037000  
1 1 1 0   13 24 o 6.332000 2.194000  -0.3035000     4.387000  
1 1 1 0   14 0  o 104.5000 1.129000  -1.002000      2.257000  
1 1 1 0   14 1  o 60.85000 0.6342000 0.2189000      1.268000  
1 1 1 0   14 2  o 56.48000 0.6308000 -3.099000      1.262000  
1 1 1 0   14 3  o 57.94000 0.6303000 -2.438000      1.261000  
1 1 1 0   14 4  o 52.12000 0.6464000 0.3691000      1.293000  
1 1 1 0   14 5  o 27.57000 1.048000  -2.637000      2.096000  
1 1 1 0   14 6  o 60.16000 0.6609000 -2.056000      1.322000  
1 1 1 0   14 7  o 41.21000 0.7584000 0.1336000      1.517000  
1 1 1 0   14 8  o 59.44000 0.6799000 0.1678000      1.360000  
1 1 1 0   14 9  o 10.66000 2.311000  -0.2592000     4.622000  
1 1 1 0   14 10 o 40.86000 0.7665000 2.299000       1.533000  
1 1 1 0   14 11 o 7.787000 2.219000  2.794000       4.437000  
1 1 1 0   14 12 o 27.87000 1.055000  -1.757000      2.111000  
1 1 1 0   14 13 f 8.284000 2.301000  -1.638000      4.602000  
1 1 1 0   14 14 o 10.47000 2.512000  -2.075000      5.025000  
1 1 1 0   14 15 o 10.86000 2.490000  0.8959000      4.980000  
1 1 1 0   14 16 o 15.92000 2.156000  -1.257000      4.313000  
1 1 1 0   14 17 o 6.799000 2.199000  -0.9028000     4.399000  
1 1 1 0   14 18 o 7.905000 2.319000  0.8222000      4.639000  
1 1 1 0   14 19 o 9.768000 2.628000  0.9664000      5.257000  
1 1 1 0   14 20 o 8.687000 2.530000  2.741000       5.059000  
1 1 1 0   14 21 o 7.376000 2.395000  1.556000       4.790000  
1 1 1 0   14 23 o 5.212000 1.846000  1.059000       3.693000  
1 1 1 0   15 1  o 23.73000 1.155000  0.3746000      2.311000  
1 1 1 0   15 2  o 40.22000 0.7459000 -0.4113000     1.492000  
1 1 1 0   15 3  o 20.35000 1.262000  -4.535000      2.524000  
1 1 1 0   15 4  o 32.66000 0.8544000 -0.6382000     1.709000  
1 1 1 0   15 5  o 12.49000 2.106000  -5.557000      4.212000  
1 1 1 0   15 6  o 11.91000 2.196000  -2.017000      4.391000  
1 1 1 0   15 7  o 14.20000 1.949000  3.511000       3.899000  
1 1 1 0   15 8  o 14.61000 1.938000  0.8130000      3.876000  
1 1 1 0   15 9  o 16.90000 1.585000  0.5640000      3.170000  
1 1 1 0   15 10 o 13.85000 2.015000  1.746000       4.031000  
1 1 1 0   15 11 o 10.51000 2.348000  2.307000       4.697000  
1 1 1 0   15 12 o 28.57000 1.020000  -2.084000      2.039000  
1 1 1 0   15 13 o 25.83000 1.357000  5.477000       2.715000  
1 1 1 0   15 14 o 21.45000 1.459000  5.029000       2.919000  
1 1 1 0   15 15 o 11.05000 2.466000  2.401000       4.933000  
1 1 1 0   15 16 o 7.659000 2.269000  1.818000       4.537000  
1 1 1 0   15 17 o 14.00000 2.483000  0.6840000E-01  4.966000  
1 1 1 0   15 18 o 16.58000 2.374000  4.591000       4.747000  
1 1 1 0   15 19 o 6.943000 2.336000  0.1062000      4.672000  
1 1 1 0   15 20 o 7.534000 2.452000  1.494000       4.904000  
1 1 1 0   15 21 o 6.538000 2.242000  -0.6465000     4.484000  
1 1 1 0   15 22 o 5.959000 2.061000  1.435000       4.121000  
1 1 1 0   16 0  o 10.46000 2.633000  2.264000       5.265000  
1 1 1 0   16 1  o 12.08000 2.107000  3.349000       4.215000  
1 1 1 0   16 2  o 26.80000 0.9793000 1.771000       1.959000  
1 1 1 0   16 3  o 32.57000 0.8270000 -0.5339000     1.654000  
1 1 1 0   16 4  o 28.78000 0.9024000 0.4083000      1.805000  
1 1 1 0   16 5  o 10.97000 2.171000  4.287000       4.342000  
1 1 1 0   16 6  o 13.11000 2.055000  3.013000       4.111000  
1 1 1 0   16 7  o 24.09000 1.156000  1.397000       2.312000  
1 1 1 0   16 8  o 23.72000 1.169000  -0.3363000     2.338000  
1 1 1 0   16 9  o 6.587000 2.053000  2.363000       4.106000  
1 1 1 0   16 10 f 7.634000 2.236000  0.1152000      4.472000  
1 1 1 0   16 11 o 12.23000 2.199000  -2.323000      4.398000  
1 1 1 0   16 12 o 5.867000 1.947000  1.232000       3.894000  
1 1 1 0   16 13 o 6.903000 1.965000  -4.805000      3.931000  
1 1 1 0   16 14 o 5.653000 1.896000  1.372000       3.791000  
1 1 1 0   16 15 o 8.520000 2.398000  -5.223000      4.796000  
1 1 1 0   16 16 o 8.118000 2.448000  -3.757000      4.897000  
1 1 1 0   16 17 o 14.26000 2.659000  -2.807000      5.317000  
1 1 1 0   16 18 o 8.343000 2.510000  3.836000       5.019000  
1 1 1 0   16 19 o 8.577000 2.636000  -2.181000      5.272000  
1 1 1 0   16 20 o 7.165000 2.352000  1.987000       4.705000  
1 1 1 0   17 1  o 12.44000 2.188000  1.981000       4.376000  
1 1 1 0   17 2  o 16.43000 1.692000  -3.810000      3.384000  
1 1 1 0   17 3  o 6.281000 1.960000  -2.218000      3.920000  
1 1 1 0   17 4  o 16.58000 1.641000  -3.054000      3.282000  
1 1 1 0   17 5  o 27.05000 1.054000  0.4158000      2.108000  
1 1 1 0   17 6  o 18.29000 1.596000  -4.870000      3.192000  
1 1 1 0   17 7  o 33.79000 0.8772000 0.4382000      1.754000  
1 1 1 0   17 8  o 15.36000 1.963000  -6.706000      3.925000  
1 1 1 0   17 9  o 7.045000 2.152000  2.167000       4.304000  
1 1 1 0   17 10 o 24.34000 1.213000  1.489000       2.426000  
1 1 1 0   17 11 o 33.17000 0.9537000 0.5153000E-01  1.907000  
1 1 1 0   17 12 o 8.101000 2.342000  0.2791000E-01  4.685000  
1 1 1 0   17 13 o 8.342000 2.357000  2.280000       4.715000  
1 1 1 0   17 14 o 7.141000 2.216000  -0.6093000     4.432000  
1 1 1 0   17 15 o 11.56000 2.678000  -0.7182000     5.357000  
1 1 1 0   17 16 o 11.21000 2.944000  -1.451000      5.888000  
1 1 1 0   17 17 o 8.097000 2.568000  -2.162000      5.135000  
1 1 1 0   17 18 o 6.546000 2.245000  0.5726000      4.489000  
1 1 1 0   17 19 o 7.654000 2.445000  4.275000       4.891000  
1 1 1 0   18 0  o 30.67000 1.380000  -0.9876000     2.760000  
1 1 1 0   18 1  o 24.20000 1.221000  -4.877000      2.442000  
1 1 1 0   18 2  o 17.82000 1.641000  5.585000       3.281000  
1 1 1 0   18 3  o 10.29000 2.297000  1.445000       4.595000  
1 1 1 0   18 4  f 20.06000 1.393000  -2.485000      2.785000  
1 1 1 0   18 5  o 6.732000 2.104000  -1.583000      4.208000  
1 1 1 0   18 6  o 19.50000 1.556000  -2.647000      3.111000  
1 1 1 0   18 7  o 17.34000 1.766000  -1.198000      3.532000  
1 1 1 0   18 8  o 12.44000 2.281000  6.406000       4.563000  
1 1 1 0   18 9  o 7.696000 2.309000  2.112000       4.619000  
1 1 1 0   18 10 o 5.705000 1.924000  1.267000       3.848000  
1 1 1 0   18 11 o 7.410000 2.213000  -3.423000      4.425000  
1 1 1 0   18 12 o 6.194000 2.068000  -0.4122000E-01 4.136000  
1 1 1 0   18 13 o 16.48000 2.120000  6.653000       4.239000  
1 1 1 0   18 14 o 16.57000 2.222000  -6.655000      4.444000  
1 1 1 0   18 15 o 10.70000 2.778000  5.916000       5.556000  
1 1 1 0   18 16 o 8.314000 2.619000  -1.057000      5.239000  
1 1 1 0   18 17 o 5.314000 1.892000  0.3015000      3.785000  
1 1 1 0   19 1  o 7.659000 2.153000  4.413000       4.307000  
1 1 1 0   19 2  o 22.43000 1.308000  1.495000       2.615000  
1 1 1 0   19 3  f 7.042000 2.144000  2.770000       4.287000  
1 1 1 0   19 4  o 9.140000 2.407000  1.380000       4.814000  
1 1 1 0   19 5  o 6.154000 1.981000  -2.996000      3.962000  
1 1 1 0   19 6  o 6.729000 2.147000  -0.8089000     4.293000  
1 1 1 0   19 7  o 7.990000 2.238000  -3.784000      4.476000  
1 1 1 0   19 8  o 7.737000 2.341000  -1.273000      4.683000  
1 1 1 0   19 9  o 9.003000 2.471000  -1.897000      4.943000  
1 1 1 0   19 10 f 7.729000 2.302000  3.989000       4.604000  
1 1 1 0   19 11 o 5.241000 1.824000  -0.3138000     3.648000  
1 1 1 0   19 12 o 7.773000 2.314000  4.430000       4.628000  
1 1 1 0   19 13 o 10.14000 2.409000  -5.728000      4.818000  
1 1 1 0   19 14 o 17.50000 2.552000  -10.50000      5.103000  
1 1 1 0   20 0  o 6.852000 2.313000  -1.428000      4.625000  
1 1 1 0   20 1  o 5.083000 1.783000  0.9956000      3.566000  
1 1 1 0   20 2  o 6.984000 2.197000  -3.077000      4.395000  
1 1 1 0   20 3  o 13.99000 2.456000  1.154000       4.913000  
1 1 1 0   20 4  o 9.180000 2.499000  3.808000       4.997000  
1 1 1 0   20 5  o 16.03000 2.350000  -6.132000      4.700000  
1 1 1 0   20 6  o 8.524000 2.295000  -5.792000      4.589000  
1 1 1 0   20 7  o 6.739000 2.200000  -0.3826000E-01 4.399000  
1 1 1 0   20 8  o 6.607000 2.186000  1.887000       4.372000  
1 1 1 0   20 9  f 6.092000 2.059000  2.159000       4.119000  
1 1 1 0   20 10 o 6.195000 2.078000  2.287000       4.157000  
1 1 1 0   20 11 o 8.937000 2.635000  5.205000       5.269000  
1 1 1 0   21 1  o 6.873000 2.236000  -0.9635000     4.472000  
1 1 1 0   21 2  o 6.403000 2.143000  0.7228000E-02  4.286000  
1 1 1 0   21 3  o 10.03000 2.699000  -0.8262000     5.397000  
1 1 1 0   21 4  o 8.890000 2.422000  -4.989000      4.844000  
1 1 1 0   21 5  o 9.404000 2.481000  -3.593000      4.963000  
1 1 1 0   21 6  o 8.377000 2.518000  -1.045000      5.036000  
1 1 1 0   21 7  o 5.857000 2.016000  0.3766000      4.031000  
1 1 1 1   0  2  o 74.55000 1.060000  0.000000       0.000000  
1 1 1 1   0  4  o 67.07000 0.6988000 0.000000       0.000000  
1 1 1 1   0  5  o 131.6000 1.316000  0.000000       0.000000  
1 1 1 1   0  6  f 44.66000 0.5789000 0.000000       0.000000  
1 1 1 1   0  7  o 24.66000 0.7601000 0.000000       0.000000  
1 1 1 1   0  8  o 4.092000 2.452000  0.000000       0.000000  
1 1 1 1   0  9  o 23.78000 1.250000  0.000000       0.000000  
1 1 1 1   0  10 o 5.785000 3.018000  -0.000000      0.000000  
1 1 1 1   0  11 o 123.1000 1.259000  0.000000       0.000000  
1 1 1 1   0  12 o 29.44000 1.069000  0.000000       0.000000  
1 1 1 1   0  13 o 42.65000 0.9193000 0.000000       0.000000  
1 1 1 1   0  14 o 5.832000 3.501000  0.000000       0.000000  
1 1 1 1   0  15 o 19.78000 1.872000  0.000000       0.000000  
1 1 1 1   0  16 o 112.4000 1.207000  0.000000       0.000000  
1 1 1 1   0  17 o 87.25000 1.035000  0.000000       0.000000  
1 1 1 1   0  18 o 5.860000 3.692000  0.000000       0.000000  
1 1 1 1   0  19 f 29.08000 1.847000  0.000000       0.000000  
1 1 1 1   0  20 o 24.85000 2.048000  0.000000       0.000000  
1 1 1 1   0  21 o 20.92000 2.604000  0.000000       0.000000  
1 1 1 1   0  22 o 6.588000 4.015000  0.000000       0.000000  
1 1 1 1   0  23 o 5.736000 3.675000  0.000000       0.000000  
1 1 1 1   0  24 o 5.472000 3.519000  0.000000       0.000000  
1 1 1 1   0  25 o 11.88000 4.342000  0.000000       0.000000  
1 1 1 1   0  26 o 8.123000 4.536000  0.000000       0.000000  
1 1 1 1   1  1  o 87.37000 0.8715000 -1.264000      1.743000  
1 1 1 1   1  2  o 39.71000 0.4374000 -0.8437000     0.8749000 
1 1 1 1   1  3  o 83.94000 0.7322000 -2.568000      1.464000  
1 1 1 1   1  4  o 34.77000 0.3488000 0.1053000      0.6976000 
1 1 1 1   1  5  o 31.02000 0.3866000 0.4170000      0.7732000 
1 1 1 1   1  6  o 28.83000 0.4305000 0.3346000      0.8610000 
1 1 1 1   1  7  o 21.48000 0.5856000 1.580000       1.171000  
1 1 1 1   1  8  o 39.03000 0.4653000 1.836000       0.9306000 
1 1 1 1   1  9  o 29.05000 0.6687000 -2.393000      1.337000  
1 1 1 1   1  10 o 21.38000 0.8418000 -0.5417000     1.684000  
1 1 1 1   1  11 o 70.01000 0.5928000 0.7157000      1.186000  
1 1 1 1   1  12 o 19.18000 1.153000  -0.9620000     2.305000  
1 1 1 1   1  13 o 28.96000 0.8133000 2.436000       1.627000  
1 1 1 1   1  14 o 68.46000 0.6285000 0.7779000      1.257000  
1 1 1 1   1  15 o 84.02000 0.6931000 1.259000       1.386000  
1 1 1 1   1  16 o 206.5000 1.469000  1.763000       2.938000  
1 1 1 1   1  17 o 212.4000 1.512000  -2.791000      3.024000  
1 1 1 1   1  18 o 137.7000 1.017000  -0.3783000     2.033000  
1 1 1 1   1  19 o 84.33000 0.7630000 1.162000       1.526000  
1 1 1 1   1  20 o 104.4000 0.8400000 -1.993000      1.680000  
1 1 1 1   1  22 o 115.2000 0.8978000 -1.366000      1.796000  
1 1 1 1   1  23 o 36.09000 0.9828000 0.2171000      1.966000  
1 1 1 1   1  24 o 23.40000 1.474000  1.727000       2.949000  
1 1 1 1   1  25 o 23.12000 1.390000  1.065000       2.780000  
1 1 1 1   1  26 o 15.09000 3.979000  ?              ?         
1 1 1 1   2  3  o 143.9000 1.013000  -2.196000      2.026000  
1 1 1 1   2  4  o 61.00000 0.4629000 2.560000       0.9257000 
1 1 1 1   2  5  o 166.8000 1.175000  -0.3450000     2.349000  
1 1 1 1   2  6  o 54.19000 0.4481000 1.286000       0.8962000 
1 1 1 1   2  7  o 87.96000 0.6460000 0.3124000      1.292000  
1 1 1 1   2  8  o 119.6000 0.8553000 -1.195000      1.711000  
1 1 1 1   2  9  o 71.55000 0.5619000 -1.516000      1.124000  
1 1 1 1   2  10 o 32.66000 0.6312000 -0.8936000     1.262000  
1 1 1 1   2  11 o 142.3000 1.020000  -0.5966000E-01 2.041000  
1 1 1 1   2  12 o 30.77000 0.7375000 0.7052000      1.475000  
1 1 1 1   2  13 o 36.43000 0.7094000 2.683000       1.419000  
1 1 1 1   2  14 o 68.70000 0.6312000 2.130000       1.262000  
1 1 1 1   2  15 o 35.63000 0.7782000 1.663000       1.556000  
1 1 1 1   2  16 o 82.06000 0.6970000 0.5974000E-02  1.394000  
1 1 1 1   2  17 o 34.24000 0.9530000 -1.837000      1.906000  
1 1 1 1   2  18 o 93.92000 0.7778000 1.191000       1.556000  
1 1 1 1   2  19 o 37.06000 0.9945000 -0.3735000E-01 1.989000  
1 1 1 1   2  20 o 22.92000 1.586000  0.9751000      3.172000  
1 1 1 1   2  21 o 35.13000 1.109000  -4.585000      2.218000  
1 1 1 1   2  22 o 23.31000 1.540000  0.4291000E-01  3.080000  
1 1 1 1   2  23 o 21.78000 1.668000  3.785000       3.336000  
1 1 1 1   2  24 o 11.22000 2.344000  6.072000       4.688000  
1 1 1 1   2  25 o 7.237000 2.248000  0.3831000      4.495000  
1 1 1 1   2  26 o 11.90000 4.001000  ?              ?         
1 1 1 1   3  0  o 148.8000 1.046000  -1.583000      2.092000  
1 1 1 1   3  1  o 77.98000 0.5596000 -0.1133000     1.119000  
1 1 1 1   3  2  o 94.31000 0.6732000 0.1977000      1.346000  
1 1 1 1   3  3  o 45.33000 0.4510000 -0.7857000     0.9020000 
1 1 1 1   3  4  o 56.09000 0.4411000 -1.823000      0.8822000 
1 1 1 1   3  5  o 33.36000 0.4262000 -1.206000      0.8523000 
1 1 1 1   3  6  o 8.680000 1.322000  -4.883000      2.645000  
1 1 1 1   3  7  o 60.83000 0.4966000 -2.464000      0.9933000 
1 1 1 1   3  8  o 32.81000 0.5056000 1.763000       1.011000  
1 1 1 1   3  9  o 13.68000 1.235000  1.499000       2.471000  
1 1 1 1   3  10 o 44.12000 0.5460000 0.5352000      1.092000  
1 1 1 1   3  11 o 57.45000 0.5635000 -0.3394000     1.127000  
1 1 1 1   3  12 o 53.88000 0.5790000 -0.5259000     1.158000  
1 1 1 1   3  13 o 83.78000 0.6761000 -1.092000      1.352000  
1 1 1 1   3  14 o 59.56000 0.6193000 -2.407000      1.239000  
1 1 1 1   3  15 o 20.41000 1.314000  -3.695000      2.629000  
1 1 1 1   3  16 f 17.14000 1.730000  3.753000       3.460000  
1 1 1 1   3  17 o 80.53000 0.7180000 -0.9815000     1.436000  
1 1 1 1   3  18 o 117.8000 0.8994000 -1.435000      1.799000  
1 1 1 1   3  19 o 75.16000 0.7388000 -0.7734000     1.478000  
1 1 1 1   3  20 o 79.79000 0.7561000 -0.8323000     1.512000  
1 1 1 1   3  21 o 112.0000 0.8828000 1.793000       1.766000  
1 1 1 1   3  22 o 96.36000 0.8090000 -0.3813000     1.618000  
1 1 1 1   3  23 o 43.08000 0.8877000 1.057000       1.775000  
1 1 1 1   3  24 o 22.89000 1.524000  5.242000       3.048000  
1 1 1 1   3  25 o 9.162000 2.441000  3.399000       4.882000  
1 1 1 1   3  26 o 17.94000 3.639000  ?              ?         
1 1 1 1   4  0  o 30.19000 0.4025000 -2.000000      0.8050000 
1 1 1 1   4  1  o 177.8000 1.250000  1.253000       2.499000  
1 1 1 1   4  2  o 99.61000 0.7120000 -0.8840000     1.424000  
1 1 1 1   4  3  o 128.5000 0.9106000 0.7521000      1.821000  
1 1 1 1   4  4  o 96.25000 0.8074000 -2.516000      1.615000  
1 1 1 1   4  5  o 232.3000 1.999000  3.765000       3.998000  
1 1 1 1   4  6  o 199.0000 1.402000  -4.869000      2.804000  
1 1 1 1   4  7  o 14.94000 0.9814000 0.2047000      1.963000  
1 1 1 1   4  8  o 109.3000 0.9736000 -2.914000      1.947000  
1 1 1 1   4  9  o 159.9000 1.136000  2.714000       2.271000  
1 1 1 1   4  10 f 187.0000 1.324000  2.515000       2.647000  
1 1 1 1   4  11 o 43.49000 0.6046000 0.5258000      1.209000  
1 1 1 1   4  12 o 21.10000 1.052000  -1.238000      2.105000  
1 1 1 1   4  13 o 85.08000 0.6831000 0.5405000      1.366000  
1 1 1 1   4  14 o 74.90000 0.6586000 -0.7932000E-01 1.317000  
1 1 1 1   4  15 o 25.22000 1.112000  -1.806000      2.224000  
1 1 1 1   4  16 o 10.01000 2.383000  -1.075000      4.766000  
1 1 1 1   4  17 o 60.71000 0.7146000 -1.905000      1.429000  
1 1 1 1   4  18 f 23.15000 1.446000  0.5780000E-01  2.892000  
1 1 1 1   4  19 o 48.03000 0.8499000 1.654000       1.700000  
1 1 1 1   4  20 o 66.49000 0.7600000 -0.4618000     1.520000  
1 1 1 1   4  21 o 13.96000 2.525000  1.573000       5.050000  
1 1 1 1   4  22 o 37.75000 0.9772000 0.6656000      1.954000  
1 1 1 1   4  23 o 13.35000 2.498000  0.8840000      4.997000  
1 1 1 1   4  24 o 8.389000 2.410000  1.861000       4.821000  
1 1 1 1   4  25 o 6.172000 2.069000  0.2743000E-01  4.137000  
1 1 1 1   4  26 o 17.11000 3.581000  ?              ?         
1 1 1 1   5  0  f 50.16000 0.4103000 -0.2787000     0.8206000 
1 1 1 1   5  1  o 69.90000 0.5185000 -1.494000      1.037000  
1 1 1 1   5  2  o 54.79000 0.4418000 -0.5353000     0.8837000 
1 1 1 1   5  3  o 25.95000 0.4906000 0.3220000      0.9813000 
1 1 1 1   5  4  o 30.59000 0.4970000 -1.035000      0.9939000 
1 1 1 1   5  5  f 18.77000 0.8740000 2.904000       1.748000  
1 1 1 1   5  6  o 64.56000 0.5984000 -0.8547000     1.197000  
1 1 1 1   5  7  o 33.54000 0.6053000 1.687000       1.211000  
1 1 1 1   5  8  o 16.90000 1.005000  -3.423000      2.010000  
1 1 1 1   5  9  o 50.36000 0.5392000 -0.3839000     1.078000  
1 1 1 1   5  10 o 65.25000 0.5804000 1.340000       1.161000  
1 1 1 1   5  11 o 51.74000 0.5738000 -0.4534000     1.148000  
1 1 1 1   5  12 o 79.74000 0.6560000 -1.937000      1.312000  
1 1 1 1   5  13 o 65.45000 0.6252000 0.8328000      1.250000  
1 1 1 1   5  14 o 94.04000 0.7405000 -0.6086000     1.481000  
1 1 1 1   5  15 o 78.91000 0.6904000 -0.7798000E-01 1.381000  
1 1 1 1   5  16 o 117.6000 0.8863000 0.8576000      1.773000  
1 1 1 1   5  17 o 58.37000 0.7189000 -2.818000      1.438000  
1 1 1 1   5  18 o 69.66000 0.7243000 2.407000       1.449000  
1 1 1 1   5  19 o 49.03000 0.8155000 -0.9149000     1.631000  
1 1 1 1   5  20 o 106.7000 0.8509000 -0.9021000     1.702000  
1 1 1 1   5  21 o 59.62000 0.7328000 -0.8977000     1.466000  
1 1 1 1   5  22 o 34.86000 1.025000  -2.823000      2.050000  
1 1 1 1   5  23 o 8.994000 2.444000  -2.437000      4.889000  
1 1 1 1   5  24 o 11.98000 2.425000  -2.207000      4.850000  
1 1 1 1   5  25 o 8.454000 2.592000  -2.394000      5.184000  
1 1 1 1   5  26 o 6.905000 3.363000  ?              ?         
1 1 1 1   6  0  o 166.6000 1.174000  -1.016000      2.348000  
1 1 1 1   6  1  o 152.6000 1.077000  0.4450000      2.154000  
1 1 1 1   6  2  o 50.55000 0.4381000 -2.142000      0.8762000 
1 1 1 1   6  3  o 105.0000 0.7564000 -0.6848000     1.513000  
1 1 1 1   6  4  o 152.9000 1.083000  -1.200000      2.165000  
1 1 1 1   6  5  o 62.66000 0.6234000 0.6446000      1.247000  
1 1 1 1   6  6  o 86.09000 0.7430000 -0.4511000     1.486000  
1 1 1 1   6  7  o 53.33000 0.5971000 -0.1023000     1.194000  
1 1 1 1   6  8  o 145.6000 1.199000  0.3249000      2.397000  
1 1 1 1   6  9  o 71.82000 0.6887000 -1.833000      1.377000  
1 1 1 1   6  10 o 108.5000 0.8020000 1.508000       1.604000  
1 1 1 1   6  11 o 118.2000 0.8678000 0.6071000      1.736000  
1 1 1 1   6  12 o 75.60000 0.6402000 -1.103000      1.280000  
1 1 1 1   6  13 o 108.3000 0.8173000 -2.363000      1.635000  
1 1 1 1   6  14 o 47.66000 0.7024000 -0.5527000     1.405000  
1 1 1 1   6  15 o 23.77000 1.275000  -0.4827000E-01 2.549000  
1 1 1 1   6  16 o 36.20000 0.9091000 -2.442000      1.818000  
1 1 1 1   6  17 o 63.03000 0.7192000 -0.6983000E-01 1.438000  
1 1 1 1   6  18 o 26.30000 1.329000  -0.6980000     2.657000  
1 1 1 1   6  19 o 50.50000 0.8222000 0.5519000      1.644000  
1 1 1 1   6  20 o 42.29000 0.8879000 1.276000       1.776000  
1 1 1 1   6  21 o 47.35000 0.7956000 -3.064000      1.591000  
1 1 1 1   6  22 o 24.66000 1.393000  -1.888000      2.787000  
1 1 1 1   6  23 o 14.60000 3.174000  2.917000       6.349000  
1 1 1 1   6  24 o 9.497000 2.431000  2.564000       4.862000  
1 1 1 1   6  25 o 9.923000 2.780000  -4.075000      5.559000  
1 1 1 1   6  26 o 15.56000 4.349000  ?              ?         
1 1 1 1   7  0  o 29.66000 0.4631000 -1.732000      0.9262000 
1 1 1 1   7  1  o 41.82000 0.5006000 0.8667000      1.001000  
1 1 1 1   7  2  o 47.62000 0.4504000 2.761000       0.9007000 
1 1 1 1   7  3  o 17.89000 0.8423000 1.842000       1.685000  
1 1 1 1   7  4  o 49.61000 0.4939000 1.275000       0.9879000 
1 1 1 1   7  5  o 52.79000 0.5190000 -3.336000      1.038000  
1 1 1 1   7  6  o 65.86000 0.5556000 0.2306000      1.111000  
1 1 1 1   7  7  o 33.11000 0.6958000 0.3370000E-01  1.392000  
1 1 1 1   7  8  o 51.22000 0.6024000 -1.841000      1.205000  
1 1 1 1   7  9  o 27.99000 0.8533000 -1.749000      1.707000  
1 1 1 1   7  10 o 61.24000 0.6674000 -1.490000      1.335000  
1 1 1 1   7  11 o 70.57000 0.7029000 -1.519000      1.406000  
1 1 1 1   7  12 o 50.11000 0.7173000 0.4080000      1.435000  
1 1 1 1   7  13 o 134.3000 0.9822000 0.2249000E-01  1.964000  
1 1 1 1   7  14 o 115.5000 0.8703000 0.8760000      1.741000  
1 1 1 1   7  15 o 79.76000 0.7089000 -1.011000      1.418000  
1 1 1 1   7  16 o 88.42000 0.7511000 -2.809000      1.502000  
1 1 1 1   7  17 o 129.3000 0.9735000 -1.197000      1.947000  
1 1 1 1   7  18 o 159.1000 1.162000  1.607000       2.325000  
1 1 1 1   7  19 o 128.4000 1.396000  1.559000       2.791000  
1 1 1 1   7  20 o 45.96000 0.8168000 1.608000       1.634000  
1 1 1 1   7  21 o 11.98000 2.397000  -5.637000      4.795000  
1 1 1 1   7  22 o 30.17000 1.072000  2.395000       2.144000  
1 1 1 1   7  23 o 18.83000 1.695000  -0.6771000     3.390000  
1 1 1 1   7  24 o 8.055000 2.483000  -2.092000      4.966000  
1 1 1 1   7  25 o 21.25000 2.028000  -5.739000      4.057000  
1 1 1 1   8  0  o 77.32000 0.5888000 -0.1092000     1.178000  
1 1 1 1   8  1  o 105.5000 0.7623000 1.125000       1.525000  
1 1 1 1   8  2  o 158.1000 1.119000  1.050000       2.238000  
1 1 1 1   8  3  o 165.5000 1.433000  -0.9718000     2.866000  
1 1 1 1   8  4  o 220.0000 1.549000  -2.149000      3.099000  
1 1 1 1   8  5  o 101.6000 0.7463000 0.8309000      1.493000  
1 1 1 1   8  6  o 68.69000 0.5781000 -0.5527000     1.156000  
1 1 1 1   8  7  o 63.68000 0.5632000 0.2209000      1.126000  
1 1 1 1   8  8  o 107.2000 0.9120000 -0.8188000E-01 1.824000  
1 1 1 1   8  9  o 186.6000 1.519000  5.234000       3.038000  
1 1 1 1   8  10 o 75.86000 0.7162000 1.110000       1.432000  
1 1 1 1   8  11 o 49.37000 0.6904000 3.050000       1.381000  
1 1 1 1   8  12 o 79.00000 0.7548000 1.071000       1.510000  
1 1 1 1   8  13 o 38.11000 0.8705000 0.5283000      1.741000  
1 1 1 1   8  14 o 115.4000 1.072000  -2.954000      2.145000  
1 1 1 1   8  15 o 14.59000 2.395000  3.557000       4.791000  
1 1 1 1   8  16 o 12.17000 2.398000  -4.050000      4.796000  
1 1 1 1   8  17 o 32.33000 1.119000  -0.1327000     2.239000  
1 1 1 1   8  18 o 29.98000 1.206000  0.7064000      2.412000  
1 1 1 1   8  19 o 57.69000 0.7431000 -0.5872000     1.486000  
1 1 1 1   8  20 o 50.98000 0.7709000 -1.255000      1.542000  
1 1 1 1   8  21 o 13.38000 2.101000  -10.61000      4.202000  
1 1 1 1   8  22 o 19.66000 1.612000  -3.770000      3.224000  
1 1 1 1   8  23 o 6.205000 2.052000  -1.055000      4.103000  
1 1 1 1   8  24 o 14.03000 2.818000  2.111000       5.637000  
1 1 1 1   8  25 o 7.986000 2.484000  -0.8137000     4.968000  
1 1 1 1   9  0  o 77.91000 0.7372000 1.021000       1.474000  
1 1 1 1   9  1  o 53.23000 0.7031000 0.2426000      1.406000  
1 1 1 1   9  2  o 32.33000 0.6844000 -0.2897000E-01 1.369000  
1 1 1 1   9  3  o 32.81000 0.5818000 1.043000       1.164000  
1 1 1 1   9  4  o 55.35000 0.5363000 -1.034000      1.073000  
1 1 1 1   9  5  o 12.34000 1.549000  2.868000       3.099000  
1 1 1 1   9  6  o 8.259000 1.920000  -1.203000      3.841000  
1 1 1 1   9  7  o 29.77000 0.7789000 -2.375000      1.558000  
1 1 1 1   9  8  o 32.59000 0.7634000 0.5397000      1.527000  
1 1 1 1   9  9  o 58.66000 0.6811000 -3.015000      1.362000  
1 1 1 1   9  10 o 26.48000 1.218000  ?              ?         
1 1 1 1   9  11 o 34.64000 0.9055000 -0.3432000     1.811000  
1 1 1 1   9  12 o 54.68000 0.7204000 -1.042000      1.441000  
1 1 1 1   9  13 o 18.93000 1.669000  -0.3804000     3.338000  
1 1 1 1   9  14 o 52.34000 0.7935000 -1.769000      1.587000  
1 1 1 1   9  15 o 30.52000 1.139000  1.060000       2.277000  
1 1 1 1   9  16 o 79.66000 0.8358000 -0.8746000     1.672000  
1 1 1 1   9  17 o 110.6000 0.9801000 2.239000       1.960000  
1 1 1 1   9  18 o 107.7000 0.9640000 1.471000       1.928000  
1 1 1 1   9  19 o 62.44000 0.8336000 2.843000       1.667000  
1 1 1 1   9  20 o 25.43000 1.275000  2.593000       2.550000  
1 1 1 1   9  21 o 43.98000 0.8197000 1.551000       1.639000  
1 1 1 1   9  22 o 11.54000 2.451000  -0.7041000     4.901000  
1 1 1 1   9  23 o 9.537000 2.584000  -0.5896000     5.167000  
1 1 1 1   9  24 o 9.154000 2.635000  -2.924000      5.271000  
1 1 1 1   9  25 o 8.389000 3.547000  ?              ?         
1 1 1 1   10 0  o 7.567000 1.838000  2.618000       3.676000  
1 1 1 1   10 1  o 88.19000 0.6642000 0.5558000      1.328000  
1 1 1 1   10 2  o 106.4000 0.7776000 -0.8815000E-01 1.555000  
1 1 1 1   10 3  o 100.1000 0.7398000 1.246000       1.480000  
1 1 1 1   10 4  o 49.43000 0.6929000 1.760000       1.386000  
1 1 1 1   10 5  o 100.1000 1.077000  0.9676000      2.154000  
1 1 1 1   10 6  o 198.1000 1.404000  -0.8715000     2.808000  
1 1 1 1   10 7  o 105.0000 1.101000  3.318000       2.202000  
1 1 1 1   10 8  o 100.2000 0.7712000 0.7622000      1.542000  
1 1 1 1   10 9  o 67.54000 0.6341000 1.678000       1.268000  
1 1 1 1   10 10 o 13.47000 2.125000  4.125000       4.250000  
1 1 1 1   10 11 o 46.47000 0.7809000 -0.6761000E-01 1.562000  
1 1 1 1   10 12 o 15.52000 2.003000  0.4025000      4.005000  
1 1 1 1   10 13 o 57.97000 0.7880000 0.7094000      1.576000  
1 1 1 1   10 14 o 57.71000 0.8011000 2.910000       1.602000  
1 1 1 1   10 15 o 20.86000 1.814000  3.668000       3.627000  
1 1 1 1   10 16 o 7.599000 2.281000  1.818000       4.562000  
1 1 1 1   10 17 o 16.12000 2.173000  -3.163000      4.347000  
1 1 1 1   10 18 o 35.79000 0.9687000 -2.131000      1.937000  
1 1 1 1   10 19 o 18.86000 1.719000  -7.128000      3.439000  
1 1 1 1   10 20 o 25.59000 1.340000  -5.150000      2.679000  
1 1 1 1   10 21 o 9.460000 2.554000  -2.731000      5.108000  
1 1 1 1   10 22 o 10.74000 2.439000  1.724000       4.878000  
1 1 1 1   10 23 o 9.443000 2.668000  3.445000       5.336000  
1 1 1 1   10 24 o 8.493000 2.605000  -0.7639000     5.209000  
1 1 1 1   11 0  o 49.58000 0.6718000 -0.1715000     1.344000  
1 1 1 1   11 1  o 43.91000 0.5747000 -0.3086000     1.149000  
1 1 1 1   11 2  o 27.47000 0.7349000 -2.575000      1.470000  
1 1 1 1   11 3  o 20.05000 1.026000  -0.7105000     2.052000  
1 1 1 1   11 4  o 50.82000 0.5804000 0.3610000      1.161000  
1 1 1 1   11 5  o 60.48000 0.5968000 -2.582000      1.194000  
1 1 1 1   11 6  o 50.95000 0.6171000 -2.326000      1.234000  
1 1 1 1   11 7  o 28.86000 0.8861000 -0.8158000E-01 1.772000  
1 1 1 1   11 8  o 29.19000 0.9078000 -0.4387000     1.816000  
1 1 1 1   11 9  o 50.95000 0.6828000 -1.029000      1.366000  
1 1 1 1   11 10 o 23.74000 1.258000  -4.483000      2.515000  
1 1 1 1   11 11 o 13.81000 2.189000  1.873000       4.377000  
1 1 1 1   11 12 o 29.88000 1.147000  -2.414000      2.295000  
1 1 1 1   11 13 f 46.25000 1.003000  -0.2703000     2.006000  
1 1 1 1   11 14 o 28.39000 1.165000  -1.191000      2.331000  
1 1 1 1   11 15 o 10.99000 2.445000  -5.547000      4.890000  
1 1 1 1   11 16 o 38.63000 0.9602000 -1.871000      1.920000  
1 1 1 1   11 17 o 29.31000 1.189000  2.657000       2.379000  
1 1 1 1   11 18 f 8.430000 2.426000  0.8218000E-01  4.852000  
1 1 1 1   11 19 o 8.365000 2.315000  2.679000       4.630000  
1 1 1 1   11 20 o 14.46000 2.232000  5.702000       4.465000  
1 1 1 1   11 21 o 6.968000 2.201000  0.1591000      4.401000  
1 1 1 1   11 22 o 6.732000 2.244000  0.5492000      4.489000  
1 1 1 1   11 23 f 12.56000 2.828000  -3.979000      5.655000  
1 1 1 1   11 24 o 8.924000 2.532000  -4.486000      5.064000  
1 1 1 1   12 0  o 88.35000 0.6884000 1.053000       1.377000  
1 1 1 1   12 1  o 48.60000 0.5933000 -1.338000      1.187000  
1 1 1 1   12 2  o 53.88000 0.5870000 0.9316000      1.174000  
1 1 1 1   12 3  o 34.11000 0.7122000 0.3105000      1.424000  
1 1 1 1   12 4  o 87.24000 0.6925000 1.640000       1.385000  
1 1 1 1   12 5  o 40.93000 0.6902000 -0.6715000     1.380000  
1 1 1 1   12 6  o 37.81000 0.7605000 -1.794000      1.521000  
1 1 1 1   12 7  f 66.61000 0.6493000 -1.295000      1.299000  
1 1 1 1   12 8  o 89.77000 0.7253000 0.6177000      1.451000  
1 1 1 1   12 9  o 39.61000 0.8032000 -0.4865000     1.606000  
1 1 1 1   12 10 o 87.78000 0.7412000 0.3081000E-01  1.482000  
1 1 1 1   12 11 o 43.20000 0.8528000 0.1048000      1.706000  
1 1 1 1   12 12 o 45.72000 0.8234000 0.7238000      1.647000  
1 1 1 1   12 13 o 52.72000 0.8148000 -0.8001000     1.630000  
1 1 1 1   12 14 o 51.55000 0.8008000 -1.171000      1.602000  
1 1 1 1   12 15 o 26.60000 1.301000  -1.437000      2.603000  
1 1 1 1   12 16 o 10.89000 2.564000  -4.171000      5.127000  
1 1 1 1   12 17 f 6.939000 2.199000  -2.126000      4.398000  
1 1 1 1   12 18 o 19.95000 1.773000  -2.849000      3.546000  
1 1 1 1   12 19 o 9.221000 2.450000  0.7263000      4.900000  
1 1 1 1   12 20 o 9.866000 2.464000  4.668000       4.928000  
1 1 1 1   12 21 o 9.627000 2.733000  -1.371000      5.467000  
1 1 1 1   12 22 o 9.500000 2.738000  -3.538000      5.476000  
1 1 1 1   12 23 o 7.058000 2.334000  1.076000       4.668000  
1 1 1 1   13 0  o 54.80000 0.6119000 2.907000       1.224000  
1 1 1 1   13 1  o 21.25000 1.145000  -0.7970000     2.290000  
1 1 1 1   13 2  o 10.81000 2.172000  -0.7523000     4.345000  
1 1 1 1   13 3  o 59.59000 0.6100000 -0.4014000     1.220000  
1 1 1 1   13 4  o 52.24000 0.6354000 -1.228000      1.271000  
1 1 1 1   13 5  o 18.79000 1.500000  2.855000       2.999000  
1 1 1 1   13 6  o 11.55000 2.261000  0.5837000      4.521000  
1 1 1 1   13 7  o 24.47000 1.163000  -1.714000      2.326000  
1 1 1 1   13 8  o 38.91000 0.8170000 2.026000       1.634000  
1 1 1 1   13 9  o 48.48000 0.7290000 1.601000       1.458000  
1 1 1 1   13 10 o 19.67000 1.441000  4.268000       2.881000  
1 1 1 1   13 11 o 44.72000 0.7946000 0.2330000      1.589000  
1 1 1 1   13 12 o 44.01000 0.8369000 1.555000       1.674000  
1 1 1 1   13 13 o 23.77000 1.371000  1.513000       2.742000  
1 1 1 1   13 14 o 14.48000 2.237000  -2.939000      4.475000  
1 1 1 1   13 15 o 7.856000 2.226000  3.219000       4.452000  
1 1 1 1   13 16 o 9.266000 2.504000  -1.949000      5.007000  
1 1 1 1   13 17 o 11.97000 2.483000  -0.8717000     4.965000  
1 1 1 1   13 18 o 19.09000 1.925000  -1.105000      3.850000  
1 1 1 1   13 19 o 24.53000 1.463000  -4.233000      2.925000  
1 1 1 1   13 20 o 22.20000 1.872000  -3.890000      3.744000  
1 1 1 1   13 21 o 8.260000 2.578000  -0.6085000     5.157000  
1 1 1 1   13 22 o 11.80000 2.878000  -4.805000      5.756000  
1 1 1 1   13 23 o 8.483000 3.780000  ?              ?         
1 1 1 1   14 0  o 47.09000 0.6747000 -0.5364000     1.349000  
1 1 1 1   14 1  o 92.39000 0.7304000 1.471000       1.461000  
1 1 1 1   14 2  o 22.37000 1.207000  -4.688000      2.414000  
1 1 1 1   14 3  o 73.02000 0.6539000 -2.414000      1.308000  
1 1 1 1   14 4  o 71.03000 0.6512000 -0.6460000     1.302000  
1 1 1 1   14 5  o 62.65000 0.6636000 0.3400000      1.327000  
1 1 1 1   14 6  o 42.90000 0.7538000 1.386000       1.508000  
1 1 1 1   14 7  o 87.46000 0.7271000 1.376000       1.454000  
1 1 1 1   14 8  o 55.78000 0.6779000 0.5764000      1.356000  
1 1 1 1   14 9  o 44.29000 0.7602000 1.517000       1.520000  
1 1 1 1   14 10 o 10.51000 2.310000  -1.691000      4.620000  
1 1 1 1   14 11 o 18.25000 1.646000  5.954000       3.292000  
1 1 1 1   14 12 o 14.03000 2.284000  4.400000       4.569000  
1 1 1 1   14 13 o 13.01000 2.248000  -8.379000      4.497000  
1 1 1 1   14 14 o 21.99000 1.581000  4.440000       3.161000  
1 1 1 1   14 15 o 16.89000 2.011000  -0.2994000     4.022000  
1 1 1 1   14 16 o 13.53000 2.349000  4.597000       4.699000  
1 1 1 1   14 17 o 7.118000 2.199000  1.568000       4.397000  
1 1 1 1   14 18 o 8.581000 2.470000  -0.5401000E-01 4.940000  
1 1 1 1   14 19 o 12.75000 2.391000  2.820000       4.783000  
1 1 1 1   14 20 o 8.225000 2.568000  3.073000       5.137000  
1 1 1 1   14 21 o 6.230000 2.148000  0.7298000      4.297000  
1 1 1 1   14 22 o 7.910000 2.530000  -1.769000      5.059000  
1 1 1 1   15 0  o 29.26000 0.9431000 -1.023000      1.886000  
1 1 1 1   15 1  o 9.967000 2.270000  -0.8029000     4.540000  
1 1 1 1   15 2  o 37.16000 0.7752000 1.932000       1.550000  
1 1 1 1   15 3  o 29.44000 0.9029000 0.5212000      1.806000  
1 1 1 1   15 4  o 18.87000 1.451000  -4.391000      2.903000  
1 1 1 1   15 5  o 12.92000 2.150000  -3.334000      4.299000  
1 1 1 1   15 6  o 27.01000 1.070000  -3.242000      2.141000  
1 1 1 1   15 7  o 19.48000 1.410000  -0.6384000     2.821000  
1 1 1 1   15 8  o 22.26000 1.244000  4.131000       2.489000  
1 1 1 1   15 9  o 13.02000 2.144000  3.479000       4.289000  
1 1 1 1   15 10 o 20.68000 1.409000  -0.1862000     2.818000  
1 1 1 1   15 11 o 9.532000 2.277000  4.839000       4.554000  
1 1 1 1   15 12 o 18.01000 1.615000  4.484000       3.230000  
1 1 1 1   15 13 o 17.70000 1.784000  -1.944000      3.568000  
1 1 1 1   15 14 o 9.649000 2.404000  -6.384000      4.808000  
1 1 1 1   15 15 o 25.00000 1.433000  -0.5577000     2.865000  
1 1 1 1   15 16 o 15.47000 2.263000  -2.982000      4.526000  
1 1 1 1   15 17 o 14.52000 2.282000  2.873000       4.564000  
1 1 1 1   15 18 o 12.60000 2.560000  1.563000       5.120000  
1 1 1 1   15 19 o 7.810000 2.392000  -4.786000      4.783000  
1 1 1 1   15 20 o 6.126000 2.125000  -0.7153000     4.250000  
1 1 1 1   15 21 o 6.222000 2.154000  0.3973000      4.308000  
1 1 1 1   16 0  f 13.04000 2.018000  1.988000       4.035000  
1 1 1 1   16 1  o 5.739000 1.873000  -0.9902000     3.745000  
1 1 1 1   16 2  o 46.45000 0.6717000 0.7347000E-01  1.343000  
1 1 1 1   16 3  o 42.90000 0.6915000 -1.895000      1.383000  
1 1 1 1   16 4  o 33.91000 0.8242000 -0.4453000     1.648000  
1 1 1 1   16 5  o 20.45000 1.363000  -0.2990000     2.726000  
1 1 1 1   16 6  o 9.476000 2.283000  1.997000       4.565000  
1 1 1 1   16 7  o 8.367000 2.220000  -2.680000      4.440000  
1 1 1 1   16 8  o 38.41000 0.7895000 1.744000       1.579000  
1 1 1 1   16 9  o 26.80000 1.142000  -1.836000      2.284000  
1 1 1 1   16 10 o 7.415000 2.193000  2.686000       4.386000  
1 1 1 1   16 11 o 10.39000 2.303000  -3.510000      4.607000  
1 1 1 1   16 12 o 19.99000 1.520000  6.685000       3.039000  
1 1 1 1   16 13 o 12.85000 2.294000  0.2082000      4.588000  
1 1 1 1   16 14 o 9.826000 2.434000  -5.525000      4.869000  
1 1 1 1   16 15 o 6.964000 2.234000  -0.9136000     4.468000  
1 1 1 1   16 16 o 10.13000 2.405000  3.537000       4.809000  
1 1 1 1   16 17 o 7.447000 2.373000  -2.968000      4.745000  
1 1 1 1   16 18 o 7.237000 2.385000  -0.1322000     4.771000  
1 1 1 1   16 19 o 6.116000 2.134000  -1.343000      4.269000  
1 1 1 1   16 20 o 8.179000 2.613000  0.9039000      5.226000  
1 1 1 1   17 0  o 6.800000 2.081000  -0.3090000     4.162000  
1 1 1 1   17 1  o 6.937000 2.101000  0.3703000      4.201000  
1 1 1 1   17 2  o 5.394000 1.801000  -0.3675000     3.602000  
1 1 1 1   17 3  o 13.27000 1.966000  3.201000       3.932000  
1 1 1 1   17 4  o 10.58000 2.154000  5.068000       4.309000  
1 1 1 1   17 5  o 27.32000 1.074000  -2.334000      2.148000  
1 1 1 1   17 6  o 25.09000 1.173000  -2.694000      2.345000  
1 1 1 1   17 7  o 19.18000 1.569000  -2.682000      3.139000  
1 1 1 1   17 8  o 9.919000 2.418000  0.7639000      4.836000  
1 1 1 1   17 9  o 9.047000 2.372000  -0.3184000     4.743000  
1 1 1 1   17 10 o 9.612000 2.454000  1.428000       4.909000  
1 1 1 1   17 11 o 13.85000 2.236000  -2.810000      4.472000  
1 1 1 1   17 12 o 10.81000 2.441000  -1.725000      4.881000  
1 1 1 1   17 13 o 14.55000 2.250000  -0.2570000     4.500000  
1 1 1 1   17 14 o 5.636000 1.920000  -0.3713000     3.840000  
1 1 1 1   17 15 o 11.21000 2.580000  1.065000       5.161000  
1 1 1 1   17 16 o 8.777000 2.604000  -1.762000      5.207000  
1 1 1 1   17 17 o 9.356000 2.739000  -4.356000      5.478000  
1 1 1 1   17 18 o 8.661000 2.707000  1.548000       5.414000  
1 1 1 1   18 0  o 22.82000 1.251000  -1.798000      2.501000  
1 1 1 1   18 1  o 34.71000 0.8738000 -0.6728000     1.748000  
1 1 1 1   18 2  o 10.57000 2.204000  5.447000       4.408000  
1 1 1 1   18 3  f 13.83000 2.000000  -2.310000      3.999000  
1 1 1 1   18 4  o 10.27000 2.320000  3.144000       4.641000  
1 1 1 1   18 5  o 15.33000 1.926000  0.5292000      3.852000  
1 1 1 1   18 6  o 30.44000 1.023000  -2.422000      2.046000  
1 1 1 1   18 7  o 25.76000 1.168000  3.046000       2.335000  
1 1 1 1   18 8  o 23.00000 1.386000  -0.9624000     2.773000  
1 1 1 1   18 9  o 8.639000 2.368000  -1.813000      4.737000  
1 1 1 1   18 10 o 6.817000 2.134000  3.465000       4.269000  
1 1 1 1   18 11 o 7.230000 2.273000  0.3099000      4.547000  
1 1 1 1   18 12 o 10.89000 2.481000  4.469000       4.961000  
1 1 1 1   18 13 o 10.97000 2.571000  2.509000       5.142000  
1 1 1 1   18 14 o 9.929000 2.681000  1.783000       5.363000  
1 1 1 1   18 15 o 8.591000 2.563000  -1.659000      5.126000  
1 1 1 1   18 16 o 6.196000 2.151000  -0.2338000     4.301000  
1 1 1 1   19 0  o 5.729000 1.906000  1.884000       3.811000  
1 1 1 1   19 1  o 9.427000 2.415000  -0.6150000     4.830000  
1 1 1 1   19 2  o 9.490000 2.202000  -5.298000      4.403000  
1 1 1 1   19 3  o 15.03000 2.090000  -3.846000      4.180000  
1 1 1 1   19 4  o 8.546000 2.365000  1.822000       4.729000  
1 1 1 1   19 5  o 10.72000 2.502000  -1.094000      5.004000  
1 1 1 1   19 6  o 7.537000 2.296000  0.7369000      4.592000  
1 1 1 1   19 7  o 6.068000 2.006000  -2.408000      4.011000  
1 1 1 1   19 8  o 7.634000 2.312000  2.915000       4.624000  
1 1 1 1   19 9  o 10.76000 2.614000  1.533000       5.228000  
1 1 1 1   19 10 o 14.44000 2.337000  -7.591000      4.674000  
1 1 1 1   19 11 o 8.157000 2.398000  2.994000       4.796000  
1 1 1 1   19 12 o 5.972000 2.016000  -0.3482000     4.032000  
1 1 1 1   19 13 f 5.997000 2.026000  2.038000       4.053000  
1 1 1 1   19 14 o 5.541000 1.954000  0.5172000      3.907000  
1 1 1 1   20 0  o 9.289000 2.538000  -0.4347000     5.076000  
1 1 1 1   20 1  o 6.900000 2.204000  2.785000       4.408000  
1 1 1 1   20 2  o 6.008000 2.023000  0.3648000      4.046000  
1 1 1 1   20 3  o 9.788000 2.446000  5.246000       4.891000  
1 1 1 1   20 4  o 18.55000 1.950000  2.389000       3.899000  
1 1 1 1   20 5  o 8.174000 2.447000  -1.639000      4.893000  
1 1 1 1   20 6  o 10.11000 2.582000  -3.994000      5.163000  
1 1 1 1   20 7  o 6.848000 2.168000  -3.804000      4.336000  
1 1 1 1   20 8  o 8.778000 2.547000  0.2252000      5.093000  
1 1 1 1   20 9  o 17.08000 2.242000  3.120000       4.483000  
1 1 1 1   20 10 o 22.14000 1.730000  0.8747000      3.459000  
1 1 1 1   20 11 o 11.89000 2.595000  -5.983000      5.190000  
1 1 1 1   21 0  o 8.354000 2.394000  -3.903000      4.788000  
1 1 1 1   21 1  o 6.031000 2.053000  -0.2303000     4.106000  
1 1 1 1   21 2  o 9.367000 2.600000  -2.665000      5.200000  
1 1 1 1   21 3  o 6.779000 2.220000  1.747000       4.440000  
1 1 1 1   21 4  o 6.166000 2.092000  1.184000       4.185000  
1 1 1 1   21 5  o 7.383000 2.334000  -2.531000      4.668000  
1 1 1 1   21 6  o 7.284000 2.337000  -0.6186000     4.673000  
1 1 1 1   21 7  o 6.935000 2.266000  -0.9620000     4.532000  
1 1 1 2   0  1  o 110.7000 1.561000  0.000000       0.000000  
1 1 1 2   0  5  o 56.68000 0.6369000 0.000000       0.000000  
1 1 1 2   0  6  o 74.41000 0.7919000 0.000000       0.000000  
1 1 1 2   0  7  o 75.31000 0.8062000 0.000000       0.000000  
1 1 1 2   0  8  o 138.8000 1.974000  0.000000       0.000000  
1 1 1 2   0  9  o 45.29000 0.6899000 0.000000       0.000000  
1 1 1 2   0  10 o 9.396000 3.389000  -0.000000      0.000000  
1 1 1 2   0  11 o 91.64000 0.9902000 0.000000       0.000000  
1 1 1 2   0  12 o 56.21000 0.8214000 0.000000       0.000000  
1 1 1 2   0  13 o 6.618000 3.589000  0.000000       0.000000  
1 1 1 2   0  14 o 7.687000 3.825000  0.000000       0.000000  
1 1 1 2   0  15 o 5.052000 3.260000  0.000000       0.000000  
1 1 1 2   0  16 o 23.42000 1.896000  0.000000       0.000000  
1 1 1 2   0  17 o 32.33000 1.524000  0.000000       0.000000  
1 1 1 2   0  18 o 95.68000 1.120000  0.000000       0.000000  
1 1 1 2   0  19 o 227.3000 2.288000  0.000000       0.000000  
1 1 1 2   0  20 o 161.9000 1.669000  0.000000       0.000000  
1 1 1 2   0  21 f 80.04000 1.053000  0.000000       0.000000  
1 1 1 2   0  22 o 36.32000 1.385000  0.000000       0.000000  
1 1 1 2   0  23 o 6.418000 3.957000  0.000000       0.000000  
1 1 1 2   0  24 o 22.78000 2.087000  0.000000       0.000000  
1 1 1 2   0  25 o 6.522000 3.851000  0.000000       0.000000  
1 1 1 2   1  0  o 140.2000 1.970000  ?              ?         
1 1 1 2   1  2  o 68.01000 0.4942000 -0.3857000     0.9884000 
1 1 1 2   1  3  o 179.3000 1.260000  1.105000       2.519000  
1 1 1 2   1  4  o 243.9000 2.098000  -1.495000      4.195000  
1 1 1 2   1  5  o 75.30000 0.5572000 0.8469000      1.114000  
1 1 1 2   1  6  o 72.82000 0.5495000 -0.3342000     1.099000  
1 1 1 2   1  7  o 21.34000 0.6299000 -1.530000      1.260000  
1 1 1 2   1  8  o 20.10000 0.8810000 1.824000       1.762000  
1 1 1 2   1  9  f 10.44000 1.540000  5.109000       3.080000  
1 1 1 2   1  10 o 15.10000 1.319000  -3.249000      2.638000  
1 1 1 2   1  11 o 5.896000 1.776000  2.488000       3.552000  
1 1 1 2   1  12 f 6.156000 1.886000  -1.031000      3.772000  
1 1 1 2   1  13 o 18.00000 1.347000  -1.966000      2.694000  
1 1 1 2   1  14 o 15.86000 1.699000  3.885000       3.399000  
1 1 1 2   1  15 o 14.45000 1.987000  -1.864000      3.974000  
1 1 1 2   1  16 o 32.96000 0.9222000 -0.1792000     1.844000  
1 1 1 2   1  17 o 69.59000 0.6894000 2.091000       1.379000  
1 1 1 2   1  18 o 51.07000 0.7744000 1.703000       1.549000  
1 1 1 2   1  19 o 158.3000 1.156000  0.9045000      2.311000  
1 1 1 2   1  20 o 171.7000 1.247000  -0.2611000     2.494000  
1 1 1 2   1  21 o 70.22000 0.7435000 -0.9258000E-01 1.487000  
1 1 1 2   1  22 o 81.41000 0.7479000 2.895000       1.496000  
1 1 1 2   1  23 o 26.58000 1.276000  -2.079000      2.552000  
1 1 1 2   1  24 o 59.42000 0.7234000 2.627000       1.447000  
1 1 1 2   1  25 o 7.002000 2.155000  2.744000       4.310000  
1 1 1 2   2  0  o 120.0000 1.037000  -0.2517000E-01 2.075000  
1 1 1 2   2  1  o 31.25000 0.3508000 0.9024000      0.7016000 
1 1 1 2   2  2  o 132.9000 0.9373000 1.486000       1.875000  
1 1 1 2   2  3  o 207.9000 1.789000  0.3771000      3.578000  
1 1 1 2   2  5  o 127.5000 0.9046000 1.318000       1.809000  
1 1 1 2   2  6  o 223.8000 1.574000  3.307000       3.148000  
1 1 1 2   2  7  o 95.37000 0.6949000 2.757000       1.390000  
1 1 1 2   2  8  o 91.13000 0.8275000 -0.7054000     1.655000  
1 1 1 2   2  9  o 27.29000 0.6418000 0.4352000      1.284000  
1 1 1 2   2  10 o 103.8000 0.7685000 -0.6125000     1.537000  
1 1 1 2   2  11 o 36.92000 0.6602000 0.1328000      1.320000  
1 1 1 2   2  12 o 11.98000 1.967000  -3.120000      3.934000  
1 1 1 2   2  13 o 23.59000 1.033000  0.1627000E-02  2.067000  
1 1 1 2   2  14 o 54.15000 0.6389000 1.315000       1.278000  
1 1 1 2   2  15 o 53.18000 0.6669000 -0.2272000     1.334000  
1 1 1 2   2  16 o 54.02000 0.6939000 1.535000       1.388000  
1 1 1 2   2  17 o 84.82000 0.7431000 0.2024000      1.486000  
1 1 1 2   2  18 o 46.07000 0.8258000 0.7162000E-01  1.652000  
1 1 1 2   2  19 o 78.17000 0.7442000 -0.2082000     1.488000  
1 1 1 2   2  20 o 67.97000 0.7523000 1.171000       1.505000  
1 1 1 2   2  21 o 71.37000 0.7385000 -0.5945000     1.477000  
1 1 1 2   2  22 o 11.85000 2.319000  -7.874000      4.637000  
1 1 1 2   2  23 o 23.21000 1.466000  -3.628000      2.932000  
1 1 1 2   2  24 o 15.00000 2.164000  -4.659000      4.328000  
1 1 1 2   2  25 o 7.066000 2.192000  -2.084000      4.383000  
1 1 1 2   3  1  o 102.9000 0.8453000 -0.7538000     1.691000  
1 1 1 2   3  2  o 153.7000 1.083000  -1.273000      2.166000  
1 1 1 2   3  3  o 111.2000 0.7910000 0.4440000      1.582000  
1 1 1 2   3  4  o 106.3000 0.7602000 1.574000       1.520000  
1 1 1 2   3  5  o 58.43000 0.4708000 -0.3844000     0.9415000 
1 1 1 2   3  6  o 68.58000 0.5342000 -0.5934000     1.068000  
1 1 1 2   3  7  o 32.12000 0.5881000 -0.6506000     1.176000  
1 1 1 2   3  8  o 33.92000 0.6309000 0.9768000      1.262000  
1 1 1 2   3  9  o 36.09000 0.5707000 0.7757000      1.141000  
1 1 1 2   3  10 o 23.51000 0.8651000 -1.720000      1.730000  
1 1 1 2   3  11 o 7.603000 1.996000  0.5743000      3.993000  
1 1 1 2   3  12 o 8.962000 2.100000  -1.682000      4.200000  
1 1 1 2   3  13 o 29.10000 0.8705000 -0.9838000E-01 1.741000  
1 1 1 2   3  14 o 37.95000 0.7570000 -0.8326000     1.514000  
1 1 1 2   3  15 o 19.22000 1.501000  -0.2401000     3.002000  
1 1 1 2   3  16 o 65.66000 0.6765000 1.944000       1.353000  
1 1 1 2   3  17 o 75.57000 0.7049000 -2.620000      1.410000  
1 1 1 2   3  18 o 38.21000 0.9342000 1.195000       1.868000  
1 1 1 2   3  19 o 56.67000 0.7912000 0.9208000      1.582000  
1 1 1 2   3  20 o 70.35000 0.8949000 -2.846000      1.790000  
1 1 1 2   3  21 o 54.38000 0.7842000 -2.640000      1.568000  
1 1 1 2   3  22 o 77.15000 0.7349000 0.1838000      1.470000  
1 1 1 2   3  23 o 34.30000 1.046000  2.832000       2.091000  
1 1 1 2   3  24 o 32.13000 1.067000  1.299000       2.134000  
1 1 1 2   3  25 o 14.27000 2.489000  -3.781000      4.979000  
1 1 1 2   4  0  o 110.5000 0.7838000 -0.5303000     1.568000  
1 1 1 2   4  1  o 34.84000 0.3593000 0.2370000      0.7186000 
1 1 1 2   4  2  o 108.7000 0.8972000 -1.429000      1.794000  
1 1 1 2   4  3  o 55.49000 0.4469000 -0.6311000     0.8937000 
1 1 1 2   4  4  o 53.02000 0.4510000 0.3938000      0.9020000 
1 1 1 2   4  5  f 36.41000 0.4473000 -0.9512000     0.8946000 
1 1 1 2   4  6  o 91.74000 0.6734000 -0.2183000E-01 1.347000  
1 1 1 2   4  7  o 95.61000 0.7009000 -0.4471000     1.402000  
1 1 1 2   4  8  o 105.4000 0.7677000 -0.6616000     1.535000  
1 1 1 2   4  9  o 34.33000 0.6168000 0.4052000      1.234000  
1 1 1 2   4  10 o 53.74000 0.5596000 -0.4369000     1.119000  
1 1 1 2   4  11 o 45.18000 0.6107000 1.001000       1.221000  
1 1 1 2   4  12 o 95.16000 0.7330000 0.5942000      1.466000  
1 1 1 2   4  13 o 54.65000 0.6252000 2.351000       1.250000  
1 1 1 2   4  14 o 112.8000 0.8488000 2.662000       1.698000  
1 1 1 2   4  15 o 34.96000 0.8804000 -2.682000      1.761000  
1 1 1 2   4  16 o 131.9000 0.9775000 -1.790000      1.955000  
1 1 1 2   4  17 o 38.90000 0.8671000 -0.4262000     1.734000  
1 1 1 2   4  18 o 42.49000 0.8828000 1.077000       1.766000  
1 1 1 2   4  19 o 98.89000 0.8174000 1.476000       1.635000  
1 1 1 2   4  20 o 50.81000 0.8168000 1.419000       1.634000  
1 1 1 2   4  21 o 20.55000 1.719000  -6.172000      3.438000  
1 1 1 2   4  22 o 24.10000 1.491000  -0.4317000     2.982000  
1 1 1 2   4  23 o 6.626000 2.170000  -1.104000      4.340000  
1 1 1 2   4  24 o 9.694000 2.505000  0.3672000      5.009000  
1 1 1 2   4  25 o 8.839000 2.644000  3.235000       5.289000  
1 1 1 2   5  0  o 17.84000 0.5225000 0.9947000      1.045000  
1 1 1 2   5  1  o 123.0000 0.8723000 3.761000       1.745000  
1 1 1 2   5  2  o 61.41000 0.4813000 -1.256000      0.9627000 
1 1 1 2   5  3  o 36.03000 0.4770000 -0.1917000     0.9540000 
1 1 1 2   5  4  o 6.454000 1.622000  -3.026000      3.244000  
1 1 1 2   5  5  o 15.35000 0.9103000 -1.301000      1.821000  
1 1 1 2   5  6  o 62.32000 0.5142000 -0.7415000     1.028000  
1 1 1 2   5  7  f 26.40000 0.7806000 2.417000       1.561000  
1 1 1 2   5  8  o 30.47000 0.6625000 -1.116000      1.325000  
1 1 1 2   5  9  o 48.21000 0.5643000 2.081000       1.129000  
1 1 1 2   5  10 o 71.47000 0.7376000 -2.386000      1.475000  
1 1 1 2   5  11 o 20.07000 1.181000  -0.8750000     2.362000  
1 1 1 2   5  12 o 31.59000 0.7901000 -2.692000      1.580000  
1 1 1 2   5  13 o 21.22000 1.191000  1.406000       2.382000  
1 1 1 2   5  14 o 61.41000 0.6597000 -1.224000      1.319000  
1 1 1 2   5  15 o 14.75000 2.091000  -3.684000      4.181000  
1 1 1 2   5  16 o 84.17000 0.7308000 -1.438000      1.462000  
1 1 1 2   5  17 o 49.81000 0.7736000 1.490000       1.547000  
1 1 1 2   5  18 o 49.28000 0.8318000 -1.943000      1.664000  
1 1 1 2   5  19 o 107.7000 0.8552000 1.113000       1.710000  
1 1 1 2   5  20 o 36.20000 1.044000  1.087000       2.089000  
1 1 1 2   5  21 f 93.61000 0.7910000 -0.2972000     1.582000  
1 1 1 2   5  22 o 79.83000 0.7492000 0.3008000      1.498000  
1 1 1 2   5  23 o 50.28000 0.7655000 0.5712000      1.531000  
1 1 1 2   5  24 o 12.13000 2.361000  -2.453000      4.722000  
1 1 1 2   5  25 o 6.977000 2.311000  0.3355000      4.623000  
1 1 1 2   6  0  o 40.40000 0.4029000 -0.1651000     0.8058000 
1 1 1 2   6  1  o 119.3000 0.8484000 -1.078000      1.697000  
1 1 1 2   6  2  o 47.93000 0.4306000 -0.8113000     0.8613000 
1 1 1 2   6  3  o 42.86000 0.4514000 -0.4375000     0.9027000 
1 1 1 2   6  4  o 66.95000 0.6107000 -1.006000      1.221000  
1 1 1 2   6  5  o 61.93000 0.6325000 0.5613000      1.265000  
1 1 1 2   6  6  o 133.3000 1.162000  3.197000       2.325000  
1 1 1 2   6  7  o 19.80000 1.006000  -3.771000      2.011000  
1 1 1 2   6  8  o 94.31000 0.7105000 3.388000       1.421000  
1 1 1 2   6  9  o 103.4000 0.7682000 -1.729000      1.536000  
1 1 1 2   6  10 o 53.62000 0.5920000 1.975000       1.184000  
1 1 1 2   6  11 o 93.67000 0.7273000 1.055000       1.455000  
1 1 1 2   6  12 o 77.07000 0.6573000 -1.325000      1.315000  
1 1 1 2   6  13 o 34.14000 0.8246000 3.536000       1.649000  
1 1 1 2   6  14 o 88.70000 0.7309000 1.701000       1.462000  
1 1 1 2   6  15 o 87.32000 0.7369000 -0.8259000     1.474000  
1 1 1 2   6  16 o 114.3000 0.8790000 2.042000       1.758000  
1 1 1 2   6  17 o 40.28000 0.8851000 -0.8251000E-01 1.770000  
1 1 1 2   6  18 o 76.81000 0.7431000 0.9355000      1.486000  
1 1 1 2   6  19 o 28.88000 1.283000  0.9391000E-01  2.566000  
1 1 1 2   6  20 o 36.29000 1.010000  -2.488000      2.019000  
1 1 1 2   6  21 o 52.26000 0.7759000 0.6600000      1.552000  
1 1 1 2   6  22 o 30.97000 1.106000  1.083000       2.213000  
1 1 1 2   6  23 o 10.50000 2.207000  6.762000       4.414000  
1 1 1 2   6  24 o 8.847000 2.550000  -0.4371000     5.099000  
1 1 1 2   6  25 o 11.04000 4.196000  ?              ?         
1 1 1 2   7  0  o 42.21000 0.4313000 0.1655000      0.8625000 
1 1 1 2   7  1  o 76.08000 0.5734000 -1.457000      1.147000  
1 1 1 2   7  2  o 22.13000 0.6505000 0.9101000      1.301000  
1 1 1 2   7  3  o 53.53000 0.4866000 -0.1133000     0.9733000 
1 1 1 2   7  4  o 48.67000 0.4961000 -1.068000      0.9921000 
1 1 1 2   7  5  o 58.55000 0.6292000 -2.441000      1.258000  
1 1 1 2   7  6  o 42.96000 0.6143000 0.8036000      1.229000  
1 1 1 2   7  7  o 20.25000 1.069000  -2.858000      2.138000  
1 1 1 2   7  8  o 44.70000 0.6237000 -1.506000      1.247000  
1 1 1 2   7  9  o 11.92000 1.861000  -6.649000      3.722000  
1 1 1 2   7  10 o 49.71000 0.6055000 1.299000       1.211000  
1 1 1 2   7  11 o 41.85000 0.7027000 -1.262000      1.405000  
1 1 1 2   7  12 f 39.93000 0.7509000 0.6227000      1.502000  
1 1 1 2   7  13 o 78.81000 0.6917000 0.7910000      1.383000  
1 1 1 2   7  14 o 124.0000 0.9266000 -1.683000      1.853000  
1 1 1 2   7  15 o 154.6000 1.124000  2.490000       2.248000  
1 1 1 2   7  16 o 121.3000 0.9189000 -1.379000      1.838000  
1 1 1 2   7  17 f 35.35000 1.024000  0.5741000      2.049000  
1 1 1 2   7  18 o 107.9000 0.8515000 -1.232000      1.703000  
1 1 1 2   7  19 o 114.6000 0.8903000 -0.9595000     1.781000  
1 1 1 2   7  20 o 134.2000 1.007000  0.2235000      2.013000  
1 1 1 2   7  21 o 73.79000 0.7162000 -1.091000      1.432000  
1 1 1 2   7  22 o 22.55000 1.457000  0.1141000      2.913000  
1 1 1 2   7  23 o 11.02000 2.509000  -0.7561000     5.018000  
1 1 1 2   7  24 o 23.21000 2.145000  -0.2969000     4.289000  
1 1 1 2   7  25 o 15.13000 4.320000  ?              ?         
1 1 1 2   8  0  o 130.8000 0.9329000 4.574000       1.866000  
1 1 1 2   8  1  o 98.81000 0.7215000 -2.154000      1.443000  
1 1 1 2   8  2  o 159.7000 1.600000  -1.123000      3.199000  
1 1 1 2   8  3  o 138.2000 0.9871000 0.1324000      1.974000  
1 1 1 2   8  4  o 51.62000 0.7106000 2.472000       1.421000  
1 1 1 2   8  5  o 73.37000 0.6027000 0.7295000      1.205000  
1 1 1 2   8  6  o 75.71000 0.7012000 -2.170000      1.402000  
1 1 1 2   8  7  o 47.57000 0.6291000 1.036000       1.258000  
1 1 1 2   8  8  o 32.54000 0.8091000 -0.7683000     1.618000  
1 1 1 2   8  9  o 115.7000 0.9767000 2.470000       1.953000  
1 1 1 2   8  10 o 31.95000 0.8962000 0.8746000      1.792000  
1 1 1 2   8  11 o 55.19000 0.7149000 -1.124000      1.430000  
1 1 1 2   8  12 o 76.26000 0.7671000 -1.705000      1.534000  
1 1 1 2   8  13 o 41.07000 0.7707000 0.3178000      1.541000  
1 1 1 2   8  14 o 112.5000 0.8643000 -0.8156000     1.729000  
1 1 1 2   8  15 o 112.5000 0.8678000 -0.5786000     1.736000  
1 1 1 2   8  16 o 32.42000 1.098000  1.221000       2.196000  
1 1 1 2   8  17 o 20.15000 1.745000  -5.236000      3.490000  
1 1 1 2   8  18 o 45.64000 0.8229000 -0.9916000     1.646000  
1 1 1 2   8  19 o 68.63000 0.9015000 0.1017000      1.803000  
1 1 1 2   8  20 o 50.38000 0.7546000 -1.517000      1.509000  
1 1 1 2   8  21 o 16.94000 1.978000  -10.49000      3.956000  
1 1 1 2   8  22 o 18.97000 1.677000  0.7691000      3.354000  
1 1 1 2   8  23 o 6.343000 2.067000  -2.490000      4.135000  
1 1 1 2   8  24 o 6.132000 2.096000  -1.763000      4.191000  
1 1 1 2   9  0  o 104.7000 0.7612000 -0.3268000     1.522000  
1 1 1 2   9  1  o 120.8000 0.8673000 1.203000       1.735000  
1 1 1 2   9  2  o 91.68000 0.6861000 1.499000       1.372000  
1 1 1 2   9  3  o 116.3000 0.8450000 1.114000       1.690000  
1 1 1 2   9  4  o 7.911000 1.828000  3.866000       3.655000  
1 1 1 2   9  5  o 80.18000 0.6348000 -1.450000      1.270000  
1 1 1 2   9  6  o 63.54000 0.5800000 0.4252000      1.160000  
1 1 1 2   9  7  o 12.28000 1.919000  0.9863000      3.838000  
1 1 1 2   9  8  o 64.55000 0.8248000 3.107000       1.650000  
1 1 1 2   9  9  o 35.78000 0.8022000 -0.9729000     1.604000  
1 1 1 2   9  10 o 28.43000 0.9847000 -2.562000      1.969000  
1 1 1 2   9  11 o 52.85000 0.7361000 -2.802000      1.472000  
1 1 1 2   9  12 o 23.37000 1.303000  -1.524000      2.607000  
1 1 1 2   9  13 f 52.07000 0.7702000 -2.025000      1.540000  
1 1 1 2   9  14 o 13.04000 2.390000  -4.706000      4.780000  
1 1 1 2   9  15 o 9.445000 3.769000  ?              ?         
1 1 1 2   9  16 o 55.14000 0.7614000 -1.223000      1.523000  
1 1 1 2   9  17 o 81.68000 0.7573000 -0.1025000E-01 1.515000  
1 1 1 2   9  18 o 86.08000 0.7573000 1.219000       1.515000  
1 1 1 2   9  19 o 87.58000 0.7668000 0.2590000      1.534000  
1 1 1 2   9  20 o 37.61000 0.8711000 -3.177000      1.742000  
1 1 1 2   9  21 o 15.43000 2.119000  -3.951000      4.237000  
1 1 1 2   9  22 o 26.71000 1.197000  -1.285000      2.394000  
1 1 1 2   9  23 o 13.63000 2.821000  2.328000       5.643000  
1 1 1 2   9  24 o 19.86000 2.177000  -6.416000      4.354000  
1 1 1 2   10 0  o 26.60000 0.7168000 -1.114000      1.434000  
1 1 1 2   10 1  o 78.94000 0.6171000 0.3456000      1.234000  
1 1 1 2   10 2  o 35.14000 0.5962000 -0.5296000     1.192000  
1 1 1 2   10 3  o 52.71000 0.5396000 0.1375000      1.079000  
1 1 1 2   10 4  o 99.07000 0.7416000 1.119000       1.483000  
1 1 1 2   10 5  o 58.72000 0.5674000 -1.232000      1.135000  
1 1 1 2   10 6  o 86.66000 0.6784000 0.4715000      1.357000  
1 1 1 2   10 7  o 16.66000 1.364000  -1.049000      2.729000  
1 1 1 2   10 8  o 58.35000 0.6925000 -0.1143000     1.385000  
1 1 1 2   10 9  o 69.64000 0.7230000 0.8395000      1.446000  
1 1 1 2   10 10 o 134.8000 1.207000  2.258000       2.414000  
1 1 1 2   10 11 o 91.33000 0.8447000 0.1333000      1.689000  
1 1 1 2   10 12 o 51.21000 0.7898000 -0.6334000     1.580000  
1 1 1 2   10 13 o 93.64000 0.8751000 1.071000       1.750000  
1 1 1 2   10 14 o 45.79000 1.078000  1.128000       2.157000  
1 1 1 2   10 15 o 55.42000 0.7960000 1.482000       1.592000  
1 1 1 2   10 16 o 20.24000 1.831000  7.734000       3.662000  
1 1 1 2   10 17 o 28.89000 1.254000  2.686000       2.508000  
1 1 1 2   10 18 o 43.15000 0.9101000 0.4041000      1.820000  
1 1 1 2   10 19 o 6.522000 2.068000  1.606000       4.135000  
1 1 1 2   10 20 o 12.54000 2.399000  -5.940000      4.798000  
1 1 1 2   10 21 o 23.32000 1.359000  -1.404000      2.719000  
1 1 1 2   10 22 o 17.94000 1.847000  1.664000       3.695000  
1 1 1 2   10 23 o 13.21000 2.874000  -0.9563000     5.747000  
1 1 1 2   11 0  o 35.25000 0.6128000 1.140000       1.226000  
1 1 1 2   11 1  o 54.68000 0.5484000 0.5944000      1.097000  
1 1 1 2   11 2  o 15.20000 1.422000  -5.057000      2.845000  
1 1 1 2   11 3  o 42.34000 0.5988000 2.366000       1.198000  
1 1 1 2   11 4  o 85.05000 0.6739000 2.285000       1.348000  
1 1 1 2   11 5  f 27.66000 1.198000  ?              ?         
1 1 1 2   11 6  f 85.98000 0.6978000 -2.460000      1.396000  
1 1 1 2   11 7  o 8.532000 1.940000  -5.634000      3.879000  
1 1 1 2   11 8  o 21.64000 1.273000  -2.272000      2.547000  
1 1 1 2   11 9  o 35.99000 0.9078000 0.1523000      1.816000  
1 1 1 2   11 10 o 41.36000 0.8059000 2.151000       1.612000  
1 1 1 2   11 11 o 10.16000 2.496000  0.9910000      4.992000  
1 1 1 2   11 12 o 14.63000 2.071000  10.61000       4.143000  
1 1 1 2   11 13 f 22.77000 1.444000  -0.2998000E-02 2.889000  
1 1 1 2   11 14 o 30.71000 1.220000  4.452000       2.440000  
1 1 1 2   11 15 o 15.16000 2.150000  5.616000       4.300000  
1 1 1 2   11 16 o 29.03000 1.187000  -1.686000      2.373000  
1 1 1 2   11 17 o 27.95000 1.184000  -4.489000      2.367000  
1 1 1 2   11 18 o 11.76000 2.560000  -1.706000      5.120000  
1 1 1 2   11 19 o 23.06000 1.442000  -6.999000      2.884000  
1 1 1 2   11 20 o 12.88000 2.558000  0.6309000      5.117000  
1 1 1 2   11 21 o 13.29000 2.502000  -7.017000      5.004000  
1 1 1 2   11 22 o 9.302000 2.670000  -2.476000      5.340000  
1 1 1 2   11 23 o 7.695000 2.430000  1.303000       4.859000  
1 1 1 2   12 0  o 19.47000 1.399000  -1.392000      2.798000  
1 1 1 2   12 1  o 16.10000 1.445000  0.2152000      2.891000  
1 1 1 2   12 2  o 68.09000 0.6002000 -0.2759000     1.200000  
1 1 1 2   12 3  f 37.90000 0.6698000 -1.117000      1.340000  
1 1 1 2   12 4  o 65.56000 0.6188000 0.8336000      1.238000  
1 1 1 2   12 5  o 16.61000 1.525000  1.567000       3.051000  
1 1 1 2   12 6  o 49.87000 0.6676000 -0.2747000     1.335000  
1 1 1 2   12 7  o 52.65000 0.6659000 -1.133000      1.332000  
1 1 1 2   12 8  o 22.51000 1.256000  0.4051000      2.512000  
1 1 1 2   12 9  o 11.85000 2.349000  3.493000       4.698000  
1 1 1 2   12 10 f 29.63000 1.364000  ?              ?         
1 1 1 2   12 11 f 31.53000 1.111000  1.204000       2.221000  
1 1 1 2   12 12 o 21.78000 1.595000  2.784000       3.191000  
1 1 1 2   12 13 o 47.39000 0.7963000 -1.351000      1.593000  
1 1 1 2   12 14 o 75.49000 0.7767000 2.417000       1.553000  
1 1 1 2   12 15 o 58.42000 0.7784000 0.7087000      1.557000  
1 1 1 2   12 16 o 27.78000 1.259000  0.7066000      2.518000  
1 1 1 2   12 17 o 32.82000 1.046000  -5.040000      2.092000  
1 1 1 2   12 18 o 19.79000 1.766000  -7.997000      3.533000  
1 1 1 2   12 19 o 27.03000 1.274000  -0.3635000E-01 2.549000  
1 1 1 2   12 20 o 9.929000 2.551000  -4.155000      5.101000  
1 1 1 2   12 21 o 7.722000 2.405000  -2.329000      4.811000  
1 1 1 2   12 22 o 8.884000 2.648000  1.633000       5.296000  
1 1 1 2   13 0  o 25.04000 0.9937000 0.5472000      1.987000  
1 1 1 2   13 1  o 37.47000 0.7366000 -0.9655000     1.473000  
1 1 1 2   13 2  o 53.71000 0.6197000 1.081000       1.239000  
1 1 1 2   13 3  o 15.68000 1.602000  -3.064000      3.205000  
1 1 1 2   13 4  o 23.60000 1.192000  -3.127000      2.384000  
1 1 1 2   13 5  o 45.57000 0.7081000 0.2631000      1.416000  
1 1 1 2   13 6  o 44.49000 0.7318000 -0.1605000     1.464000  
1 1 1 2   13 7  o 27.16000 1.078000  1.103000       2.156000  
1 1 1 2   13 8  o 15.97000 1.874000  2.435000       3.749000  
1 1 1 2   13 9  o 48.05000 0.7461000 -0.9148000     1.492000  
1 1 1 2   13 10 o 20.28000 1.478000  -0.7777000     2.956000  
1 1 1 2   13 11 o 17.91000 1.887000  1.487000       3.775000  
1 1 1 2   13 12 o 9.221000 2.500000  -2.015000      4.999000  
1 1 1 2   13 13 o 18.85000 1.770000  6.262000       3.539000  
1 1 1 2   13 14 o 12.04000 2.378000  -0.4815000E-01 4.756000  
1 1 1 2   13 15 o 5.743000 1.951000  -0.9159000     3.903000  
1 1 1 2   13 16 o 8.181000 2.418000  -0.5582000     4.837000  
1 1 1 2   13 17 o 12.44000 2.424000  -4.631000      4.849000  
1 1 1 2   13 18 o 8.809000 2.299000  3.780000       4.598000  
1 1 1 2   13 19 o 7.612000 2.313000  0.2587000      4.625000  
1 1 1 2   13 20 o 9.095000 2.525000  -3.678000      5.051000  
1 1 1 2   13 21 o 10.86000 2.897000  -0.5877000     5.793000  
1 1 1 2   13 22 o 6.721000 3.221000  ?              ?         
1 1 1 2   14 0  o 40.74000 0.7128000 -0.2286000     1.426000  
1 1 1 2   14 1  o 61.77000 0.6417000 -0.8781000     1.283000  
1 1 1 2   14 2  o 26.63000 0.9969000 -1.798000      1.994000  
1 1 1 2   14 3  o 48.04000 0.6721000 -1.169000      1.344000  
1 1 1 2   14 4  o 61.05000 0.6493000 0.7352000      1.299000  
1 1 1 2   14 5  o 52.68000 0.6908000 -0.5877000     1.382000  
1 1 1 2   14 6  o 23.23000 1.230000  -2.534000      2.461000  
1 1 1 2   14 7  o 77.59000 0.6974000 -2.871000      1.395000  
1 1 1 2   14 8  o 46.30000 0.7450000 -1.888000      1.490000  
1 1 1 2   14 9  f 8.106000 2.264000  1.895000       4.528000  
1 1 1 2   14 10 o 30.37000 0.9354000 -1.726000      1.871000  
1 1 1 2   14 11 o 19.78000 1.477000  -0.4027000     2.954000  
1 1 1 2   14 12 o 12.84000 2.308000  -6.317000      4.615000  
1 1 1 2   14 13 o 25.70000 1.270000  -0.5634000     2.539000  
1 1 1 2   14 14 o 47.16000 0.8136000 -0.1692000     1.627000  
1 1 1 2   14 15 o 8.376000 2.350000  -3.466000      4.699000  
1 1 1 2   14 16 o 10.50000 2.523000  -0.1967000     5.046000  
1 1 1 2   14 17 o 10.37000 2.544000  -4.492000      5.088000  
1 1 1 2   14 18 o 13.81000 2.380000  2.246000       4.761000  
1 1 1 2   14 19 o 9.448000 2.609000  -1.848000      5.217000  
1 1 1 2   14 20 o 8.521000 2.627000  -1.881000      5.255000  
1 1 1 2   14 21 o 8.509000 2.599000  2.729000       5.199000  
1 1 1 2   15 0  o 7.734000 2.189000  -0.8727000     4.379000  
1 1 1 2   15 1  o 17.11000 1.607000  -3.723000      3.215000  
1 1 1 2   15 2  o 13.43000 2.002000  -3.795000      4.004000  
1 1 1 2   15 3  o 12.87000 2.128000  -0.5412000     4.255000  
1 1 1 2   15 4  o 5.291000 1.818000  -1.236000      3.636000  
1 1 1 2   15 5  o 36.26000 0.8351000 -2.398000      1.670000  
1 1 1 2   15 6  o 21.25000 1.430000  -5.429000      2.859000  
1 1 1 2   15 7  o 10.73000 2.267000  3.220000       4.535000  
1 1 1 2   15 8  o 12.61000 2.156000  -4.327000      4.313000  
1 1 1 2   15 9  o 21.22000 1.362000  4.033000       2.723000  
1 1 1 2   15 10 o 28.84000 1.054000  2.010000       2.108000  
1 1 1 2   15 11 o 8.591000 2.398000  -1.501000      4.796000  
1 1 1 2   15 12 o 8.029000 2.314000  -1.996000      4.628000  
1 1 1 2   15 13 o 5.693000 1.888000  1.493000       3.776000  
1 1 1 2   15 14 o 16.32000 2.115000  -7.983000      4.230000  
1 1 1 2   15 15 o 18.89000 1.853000  -1.453000      3.705000  
1 1 1 2   15 16 o 6.670000 2.106000  1.295000       4.211000  
1 1 1 2   15 17 f 15.57000 2.289000  -3.646000      4.578000  
1 1 1 2   15 18 o 11.47000 2.593000  0.1499000      5.187000  
1 1 1 2   15 19 o 12.09000 2.928000  -3.704000      5.855000  
1 1 1 2   15 20 o 8.415000 2.607000  2.865000       5.214000  
1 1 1 2   16 0  o 9.523000 2.112000  -5.111000      4.223000  
1 1 1 2   16 1  o 11.82000 2.082000  3.624000       4.165000  
1 1 1 2   16 2  f 13.44000 1.935000  -3.038000      3.870000  
1 1 1 2   16 3  o 12.07000 2.028000  -4.481000      4.056000  
1 1 1 2   16 4  o 12.05000 2.017000  -5.165000      4.034000  
1 1 1 2   16 5  o 22.81000 1.230000  5.351000       2.460000  
1 1 1 2   16 6  o 8.880000 2.326000  -1.176000      4.653000  
1 1 1 2   16 7  o 36.88000 0.8330000 -3.867000      1.666000  
1 1 1 2   16 8  o 31.50000 0.9768000 4.725000       1.954000  
1 1 1 2   16 9  o 21.05000 1.432000  -0.5334000     2.864000  
1 1 1 2   16 10 o 10.31000 2.389000  0.5171000      4.778000  
1 1 1 2   16 11 o 14.48000 2.099000  2.030000       4.198000  
1 1 1 2   16 12 o 17.60000 1.730000  0.2171000      3.460000  
1 1 1 2   16 13 o 32.00000 0.9682000 -1.242000      1.936000  
1 1 1 2   16 14 o 8.310000 2.309000  2.087000       4.619000  
1 1 1 2   16 15 o 18.81000 1.844000  -5.506000      3.687000  
1 1 1 2   16 16 o 17.93000 2.067000  -3.806000      4.135000  
1 1 1 2   16 17 o 12.64000 2.375000  -10.39000      4.749000  
1 1 1 2   16 18 o 7.361000 2.416000  2.637000       4.832000  
1 1 1 2   16 19 o 5.857000 2.052000  0.2716000      4.104000  
1 1 1 2   17 0  o 18.79000 1.426000  -2.603000      2.852000  
1 1 1 2   17 1  o 21.23000 1.277000  0.9088000      2.554000  
1 1 1 2   17 2  o 18.46000 1.449000  3.692000       2.899000  
1 1 1 2   17 3  o 20.60000 1.293000  2.033000       2.585000  
1 1 1 2   17 4  o 24.87000 1.145000  -2.109000      2.290000  
1 1 1 2   17 5  o 21.06000 1.385000  1.029000       2.770000  
1 1 1 2   17 6  o 7.160000 2.088000  -3.524000      4.176000  
1 1 1 2   17 7  o 6.754000 2.124000  0.2064000      4.247000  
1 1 1 2   17 8  o 9.797000 2.398000  1.848000       4.797000  
1 1 1 2   17 9  o 6.939000 2.156000  0.3345000      4.312000  
1 1 1 2   17 10 f 7.471000 2.246000  3.370000       4.491000  
1 1 1 2   17 11 o 9.738000 2.483000  1.372000       4.966000  
1 1 1 2   17 12 o 14.68000 2.474000  -3.051000      4.947000  
1 1 1 2   17 13 o 11.51000 2.507000  0.4846000      5.014000  
1 1 1 2   17 14 o 6.342000 2.104000  -2.002000      4.208000  
1 1 1 2   17 15 o 11.59000 2.636000  -0.7472000     5.272000  
1 1 1 2   17 16 o 7.060000 2.265000  -0.9926000     4.530000  
1 1 1 2   17 17 o 6.249000 2.176000  -1.680000      4.351000  
1 1 1 2   17 18 o 6.181000 3.050000  ?              ?         
1 1 1 2   18 0  o 16.91000 1.706000  -0.3936000     3.412000  
1 1 1 2   18 1  o 14.83000 1.978000  5.057000       3.956000  
1 1 1 2   18 2  o 13.07000 2.085000  0.9028000      4.169000  
1 1 1 2   18 3  o 23.59000 1.198000  0.5978000      2.396000  
1 1 1 2   18 4  o 14.93000 1.988000  -3.210000      3.977000  
1 1 1 2   18 5  o 10.68000 2.459000  0.3642000      4.918000  
1 1 1 2   18 6  o 16.81000 1.797000  1.258000       3.594000  
1 1 1 2   18 7  o 22.91000 1.480000  -7.588000      2.960000  
1 1 1 2   18 8  o 7.107000 2.212000  1.679000       4.423000  
1 1 1 2   18 9  o 7.779000 2.308000  0.4915000      4.616000  
1 1 1 2   18 10 o 9.392000 2.432000  -2.980000      4.864000  
1 1 1 2   18 11 o 8.707000 2.455000  0.6095000      4.910000  
1 1 1 2   18 12 o 8.313000 2.366000  3.613000       4.732000  
1 1 1 2   18 13 f 9.618000 2.567000  -0.1019000     5.134000  
1 1 1 2   18 14 o 7.234000 2.289000  -0.4306000     4.578000  
1 1 1 2   18 15 o 6.258000 2.090000  0.1458000      4.181000  
1 1 1 2   18 16 o 5.767000 2.035000  -0.1458000     4.069000  
1 1 1 2   19 0  o 28.71000 1.088000  0.2125000      2.177000  
1 1 1 2   19 1  f 18.52000 1.731000  3.917000       3.462000  
1 1 1 2   19 2  o 5.911000 1.959000  -1.661000      3.918000  
1 1 1 2   19 3  o 8.008000 2.227000  -3.383000      4.454000  
1 1 1 2   19 4  o 19.55000 1.676000  0.1139000      3.352000  
1 1 1 2   19 5  f 22.29000 1.468000  0.7810000      2.936000  
1 1 1 2   19 6  o 16.23000 2.055000  2.665000       4.110000  
1 1 1 2   19 7  o 8.104000 2.416000  1.529000       4.831000  
1 1 1 2   19 8  o 14.67000 2.316000  -2.285000      4.633000  
1 1 1 2   19 9  o 6.241000 2.088000  0.5775000      4.175000  
1 1 1 2   19 10 o 5.753000 1.961000  2.106000       3.922000  
1 1 1 2   19 11 o 5.852000 1.995000  0.9204000      3.990000  
1 1 1 2   19 12 o 6.088000 2.050000  0.8450000      4.100000  
1 1 1 2   19 13 o 6.174000 2.076000  -0.6418000     4.152000  
1 1 1 2   19 14 o 6.494000 2.196000  -0.8495000     4.392000  
1 1 1 2   20 0  o 7.033000 2.237000  -0.4175000     4.473000  
1 1 1 2   20 1  o 6.273000 2.094000  -0.1896000     4.188000  
1 1 1 2   20 2  o 6.434000 2.113000  1.922000       4.227000  
1 1 1 2   20 3  o 7.298000 2.279000  2.686000       4.557000  
1 1 1 2   20 4  o 12.81000 2.410000  6.778000       4.819000  
1 1 1 2   20 5  o 11.47000 2.615000  -3.515000      5.229000  
1 1 1 2   20 6  o 8.220000 2.380000  4.263000       4.760000  
1 1 1 2   20 7  o 8.424000 2.440000  -2.866000      4.879000  
1 1 1 2   20 8  o 7.153000 2.280000  -1.165000      4.561000  
1 1 1 2   20 9  o 9.755000 2.431000  6.894000       4.863000  
1 1 1 2   20 10 o 13.57000 2.459000  -7.878000      4.917000  
1 1 1 2   20 11 o 5.329000 1.865000  -0.6130000     3.730000  
1 1 1 2   21 0  o 12.96000 2.577000  -2.600000      5.154000  
1 1 1 2   21 1  o 10.31000 2.488000  -5.644000      4.975000  
1 1 1 2   21 2  o 7.733000 2.396000  -1.727000      4.792000  
1 1 1 2   21 3  o 7.094000 2.294000  1.991000       4.588000  
1 1 1 2   21 4  o 6.926000 2.240000  -1.631000      4.480000  
1 1 1 2   21 5  o 12.17000 2.334000  -8.527000      4.669000  
1 1 1 2   21 6  f 5.603000 1.932000  0.8078000E-01  3.865000  
1 1 1 3   0  1  o 77.21000 0.7868000 0.000000       0.000000  
1 1 1 3   0  2  o 28.36000 0.4910000 0.000000       0.000000  
1 1 1 3   0  3  f 31.12000 0.5415000 0.000000       0.000000  
1 1 1 3   0  4  o 102.3000 1.036000  0.000000       0.000000  
1 1 1 3   0  5  o 34.48000 0.5908000 0.000000       0.000000  
1 1 1 3   0  6  f 77.86000 0.8220000 0.000000       0.000000  
1 1 1 3   0  7  o 36.75000 0.6738000 0.000000       0.000000  
1 1 1 3   0  8  o 25.52000 0.8966000 0.000000       0.000000  
1 1 1 3   0  9  o 95.99000 1.016000  0.000000       0.000000  
1 1 1 3   0  10 o 71.77000 0.8511000 0.000000       0.000000  
1 1 1 3   0  11 o 71.83000 0.8676000 -0.000000      0.000000  
1 1 1 3   0  12 o 97.21000 1.056000  0.000000       0.000000  
1 1 1 3   0  13 o 4.328000 2.907000  0.000000       0.000000  
1 1 1 3   0  14 o 172.8000 1.746000  0.000000       0.000000  
1 1 1 3   0  15 o 137.0000 1.415000  0.000000       0.000000  
1 1 1 3   0  16 o 201.5000 2.030000  0.000000       0.000000  
1 1 1 3   0  17 o 209.1000 2.106000  0.000000       0.000000  
1 1 1 3   0  18 f 114.6000 1.261000  0.000000       0.000000  
1 1 1 3   0  19 o 196.4000 1.993000  0.000000       0.000000  
1 1 1 3   0  20 o 324.8000 3.250000  0.000000       0.000000  
1 1 1 3   0  21 o 213.5000 2.161000  0.000000       0.000000  
1 1 1 3   0  22 o 60.66000 1.080000  -0.000000      0.000000  
1 1 1 3   0  23 o 17.31000 3.063000  0.000000       0.000000  
1 1 1 3   0  24 o 6.366000 3.806000  0.000000       0.000000  
1 1 1 3   0  25 o 5.506000 3.671000  0.000000       0.000000  
1 1 1 3   1  0  o 54.88000 0.4951000 -0.6544000     0.9903000 
1 1 1 3   1  2  f 132.0000 0.9315000 -1.864000      1.863000  
1 1 1 3   1  3  o 66.56000 0.4999000 0.1381000E-02  0.9997000 
1 1 1 3   1  4  o 138.1000 0.9764000 -2.727000      1.953000  
1 1 1 3   1  5  o 81.32000 0.5989000 0.4821000      1.198000  
1 1 1 3   1  6  o 87.77000 0.7968000 -3.138000      1.594000  
1 1 1 3   1  7  o 6.118000 1.685000  0.8756000E-02  3.369000  
1 1 1 3   1  8  o 59.42000 0.5132000 -0.1528000     1.026000  
1 1 1 3   1  9  o 51.99000 0.5390000 -0.3803000     1.078000  
1 1 1 3   1  10 o 31.78000 0.6905000 -1.374000      1.381000  
1 1 1 3   1  11 o 17.36000 1.293000  -1.327000      2.585000  
1 1 1 3   1  12 o 30.39000 0.7999000 2.321000       1.600000  
1 1 1 3   1  13 o 13.59000 1.868000  -1.647000      3.735000  
1 1 1 3   1  14 o 43.09000 0.6843000 -0.3611000     1.369000  
1 1 1 3   1  15 o 21.34000 1.346000  0.5590000E-01  2.692000  
1 1 1 3   1  16 o 29.54000 1.409000  4.204000       2.818000  
1 1 1 3   1  17 o 43.32000 0.8262000 -1.366000      1.652000  
1 1 1 3   1  18 o 77.26000 0.7407000 -0.6913000     1.481000  
1 1 1 3   1  19 o 123.9000 0.9500000 0.3412000      1.900000  
1 1 1 3   1  20 o 154.2000 1.133000  -1.289000      2.266000  
1 1 1 3   1  21 o 114.1000 0.8894000 0.6504000      1.779000  
1 1 1 3   1  22 o 49.13000 0.7900000 1.650000       1.580000  
1 1 1 3   1  23 o 25.12000 1.313000  -2.384000      2.625000  
1 1 1 3   1  24 o 25.46000 1.327000  -1.206000      2.654000  
1 1 1 3   1  25 o 14.13000 2.873000  3.630000       5.746000  
1 1 1 3   2  0  o 47.37000 0.4663000 0.6072000E-01  0.9326000 
1 1 1 3   2  1  o 48.84000 0.3855000 -0.4497000     0.7710000 
1 1 1 3   2  2  o 31.76000 0.3540000 0.1787000      0.7080000 
1 1 1 3   2  3  o 81.01000 0.5911000 -0.3670000     1.182000  
1 1 1 3   2  4  o 129.4000 0.9177000 1.321000       1.835000  
1 1 1 3   2  5  o 70.32000 0.5371000 1.458000       1.074000  
1 1 1 3   2  6  o 51.18000 0.4687000 -0.5005000     0.9374000 
1 1 1 3   2  7  o 74.94000 0.7034000 0.7583000      1.407000  
1 1 1 3   2  8  o 82.84000 0.6276000 -1.802000      1.255000  
1 1 1 3   2  9  o 53.18000 0.5459000 1.065000       1.092000  
1 1 1 3   2  10 o 22.92000 0.9083000 -0.9789000     1.817000  
1 1 1 3   2  11 f 57.47000 0.5775000 -1.586000      1.155000  
1 1 1 3   2  12 o 41.64000 0.6473000 -1.118000      1.295000  
1 1 1 3   2  13 o 31.35000 0.8222000 1.865000       1.644000  
1 1 1 3   2  14 o 73.61000 0.6537000 -0.8134000     1.307000  
1 1 1 3   2  15 o 45.50000 0.7422000 1.081000       1.484000  
1 1 1 3   2  16 o 136.5000 1.004000  -1.698000      2.008000  
1 1 1 3   2  17 o 143.3000 1.053000  -0.4967000     2.107000  
1 1 1 3   2  18 o 26.60000 1.269000  -0.4110000     2.537000  
1 1 1 3   2  19 o 129.2000 0.9815000 1.119000       1.963000  
1 1 1 3   2  20 o 198.8000 1.433000  2.885000       2.866000  
1 1 1 3   2  21 o 94.88000 0.7966000 0.9081000      1.593000  
1 1 1 3   2  22 o 17.32000 1.983000  -3.692000      3.965000  
1 1 1 3   2  23 o 43.98000 0.8428000 0.5643000      1.686000  
1 1 1 3   2  24 o 26.68000 1.157000  -1.458000      2.315000  
1 1 1 3   2  25 o 5.606000 2.763000  ?              ?         
1 1 1 3   3  0  o 78.80000 0.7032000 0.1201000      1.406000  
1 1 1 3   3  1  o 196.4000 1.381000  -1.848000      2.762000  
1 1 1 3   3  2  o 175.8000 1.238000  -2.912000      2.476000  
1 1 1 3   3  3  o 183.9000 1.295000  -0.4592000     2.590000  
1 1 1 3   3  4  o 232.7000 1.637000  -0.8535000     3.275000  
1 1 1 3   3  5  o 16.02000 0.7931000 -2.731000      1.586000  
1 1 1 3   3  6  o 66.92000 0.5274000 -0.2499000     1.055000  
1 1 1 3   3  7  o 42.43000 0.4734000 -1.984000      0.9467000 
1 1 1 3   3  8  o 70.08000 0.5697000 -1.549000      1.139000  
1 1 1 3   3  9  o 39.28000 0.5702000 1.391000       1.140000  
1 1 1 3   3  10 o 19.98000 1.038000  -0.2544000     2.075000  
1 1 1 3   3  11 o 22.31000 1.009000  0.5402000      2.017000  
1 1 1 3   3  12 o 30.38000 0.8444000 -0.3145000     1.689000  
1 1 1 3   3  13 o 62.67000 0.6180000 -0.6013000     1.236000  
1 1 1 3   3  14 o 13.09000 2.007000  -1.225000      4.014000  
1 1 1 3   3  15 o 58.10000 0.6738000 0.7498000E-01  1.348000  
1 1 1 3   3  16 o 71.61000 0.6966000 0.4189000      1.393000  
1 1 1 3   3  17 o 32.57000 1.048000  -0.6999000     2.096000  
1 1 1 3   3  18 o 39.10000 0.9321000 0.5115000      1.864000  
1 1 1 3   3  19 o 17.69000 2.097000  -1.530000      4.195000  
1 1 1 3   3  20 o 70.37000 0.7386000 -1.885000      1.477000  
1 1 1 3   3  21 f 29.01000 1.201000  2.571000       2.402000  
1 1 1 3   3  22 o 8.641000 2.417000  1.464000       4.835000  
1 1 1 3   3  23 o 28.35000 1.158000  -0.7292000     2.315000  
1 1 1 3   3  24 o 11.88000 2.281000  7.036000       4.562000  
1 1 1 3   3  25 o 10.85000 4.128000  ?              ?         
1 1 1 3   4  0  o 28.38000 0.4855000 -0.6086000     0.9710000 
1 1 1 3   4  1  o 32.72000 0.3597000 -0.8759000     0.7194000 
1 1 1 3   4  2  o 47.52000 0.4094000 -1.152000      0.8188000 
1 1 1 3   4  3  o 7.146000 1.451000  0.2429000      2.901000  
1 1 1 3   4  4  o 77.89000 0.5828000 0.6032000      1.166000  
1 1 1 3   4  5  o 74.01000 0.5652000 -2.048000      1.130000  
1 1 1 3   4  6  o 52.80000 0.4806000 0.1128000      0.9613000 
1 1 1 3   4  7  o 68.76000 0.6825000 -2.966000      1.365000  
1 1 1 3   4  8  o 120.8000 0.8737000 4.138000       1.747000  
1 1 1 3   4  9  f 108.2000 0.7956000 1.719000       1.591000  
1 1 1 3   4  10 o 72.69000 0.6145000 0.7206000      1.229000  
1 1 1 3   4  11 f 16.38000 1.440000  1.178000       2.879000  
1 1 1 3   4  12 o 58.21000 0.6092000 2.352000       1.218000  
1 1 1 3   4  13 o 95.69000 0.7479000 2.146000       1.496000  
1 1 1 3   4  14 o 60.50000 0.6474000 -1.020000      1.295000  
1 1 1 3   4  15 o 115.5000 0.8748000 -1.847000      1.750000  
1 1 1 3   4  16 o 190.2000 1.361000  4.587000       2.722000  
1 1 1 3   4  17 o 244.3000 1.735000  5.855000       3.471000  
1 1 1 3   4  18 o 55.85000 0.7662000 1.957000       1.532000  
1 1 1 3   4  19 o 110.2000 0.8687000 -0.4400000     1.737000  
1 1 1 3   4  20 o 26.06000 1.349000  1.836000       2.698000  
1 1 1 3   4  21 o 13.69000 2.358000  3.700000       4.716000  
1 1 1 3   4  22 o 16.83000 2.078000  4.282000       4.156000  
1 1 1 3   4  23 o 24.38000 1.351000  -1.146000      2.702000  
1 1 1 3   4  24 o 12.76000 2.328000  -4.325000      4.655000  
1 1 1 3   5  0  o 111.1000 0.7915000 -0.3665000E-01 1.583000  
1 1 1 3   5  1  f 45.30000 0.4850000 -1.446000      0.9699000 
1 1 1 3   5  2  o 142.8000 1.163000  1.635000       2.327000  
1 1 1 3   5  3  f 27.99000 0.5587000 -2.477000      1.117000  
1 1 1 3   5  4  o 31.51000 0.5834000 2.088000       1.167000  
1 1 1 3   5  5  o 40.27000 0.4711000 -2.358000      0.9423000 
1 1 1 3   5  6  o 41.47000 0.5195000 0.6617000E-01  1.039000  
1 1 1 3   5  7  o 47.05000 0.6292000 2.030000       1.258000  
1 1 1 3   5  8  o 102.3000 0.7589000 -0.8787000     1.518000  
1 1 1 3   5  9  o 126.9000 0.9198000 -0.1097000     1.840000  
1 1 1 3   5  10 o 121.4000 0.8868000 1.064000       1.774000  
1 1 1 3   5  11 o 65.08000 0.6115000 -1.324000      1.223000  
1 1 1 3   5  12 o 20.89000 1.200000  -0.8395000     2.400000  
1 1 1 3   5  13 o 30.36000 0.9263000 1.546000       1.853000  
1 1 1 3   5  14 o 86.54000 0.7214000 -1.701000      1.443000  
1 1 1 3   5  15 o 27.40000 1.102000  4.168000       2.205000  
1 1 1 3   5  16 o 90.51000 0.7554000 -3.096000      1.511000  
1 1 1 3   5  17 o 36.92000 0.9763000 -1.793000      1.953000  
1 1 1 3   5  18 o 22.84000 1.569000  -1.439000      3.139000  
1 1 1 3   5  19 o 35.48000 1.016000  -0.4279000     2.032000  
1 1 1 3   5  20 o 46.02000 0.8538000 -0.2267000     1.708000  
1 1 1 3   5  21 o 16.06000 2.093000  -3.062000      4.185000  
1 1 1 3   5  22 o 50.46000 0.7819000 0.3666000      1.564000  
1 1 1 3   5  23 o 41.02000 0.8605000 0.7815000      1.721000  
1 1 1 3   5  24 o 8.116000 2.400000  0.1178000      4.801000  
1 1 1 3   6  0  o 33.54000 0.4761000 -0.1281000     0.9522000 
1 1 1 3   6  1  o 53.01000 0.4426000 0.1161000      0.8853000 
1 1 1 3   6  2  o 17.09000 0.8147000 -2.205000      1.629000  
1 1 1 3   6  3  f 32.53000 0.5625000 -1.681000      1.125000  
1 1 1 3   6  4  o 46.83000 0.5381000 -0.8280000     1.076000  
1 1 1 3   6  5  o 67.34000 0.5497000 0.2726000      1.099000  
1 1 1 3   6  6  o 44.98000 0.6305000 -1.616000      1.261000  
1 1 1 3   6  7  o 50.14000 0.5339000 -1.737000      1.068000  
1 1 1 3   6  8  o 54.48000 0.6842000 -0.1492000     1.368000  
1 1 1 3   6  9  o 47.22000 0.5905000 0.7085000      1.181000  
1 1 1 3   6  10 o 61.33000 0.5994000 0.1719000      1.199000  
1 1 1 3   6  11 o 32.54000 0.7864000 1.681000       1.573000  
1 1 1 3   6  12 o 54.67000 0.6402000 2.315000       1.280000  
1 1 1 3   6  13 o 153.6000 1.109000  1.222000       2.219000  
1 1 1 3   6  14 o 54.14000 0.6899000 -1.360000      1.380000  
1 1 1 3   6  15 o 10.23000 2.450000  -2.429000      4.899000  
1 1 1 3   6  16 o 129.3000 0.9676000 -0.9343000     1.935000  
1 1 1 3   6  17 o 30.50000 1.123000  -0.8544000E-01 2.247000  
1 1 1 3   6  18 o 57.44000 0.7555000 1.033000       1.511000  
1 1 1 3   6  19 o 54.82000 0.7865000 0.2909000      1.573000  
1 1 1 3   6  20 o 65.60000 0.7288000 2.360000       1.458000  
1 1 1 3   6  21 o 46.58000 0.8134000 -3.264000      1.627000  
1 1 1 3   6  22 o 17.95000 1.878000  5.700000       3.756000  
1 1 1 3   6  23 o 9.137000 2.324000  -3.834000      4.648000  
1 1 1 3   6  24 o 12.54000 2.874000  -3.126000      5.747000  
1 1 1 3   7  0  o 62.97000 0.5073000 -0.5909000     1.015000  
1 1 1 3   7  1  f 91.94000 0.6767000 -0.5155000     1.353000  
1 1 1 3   7  2  o 136.2000 1.184000  1.968000       2.368000  
1 1 1 3   7  3  o 85.59000 0.9108000 2.732000       1.822000  
1 1 1 3   7  4  o 40.73000 0.5669000 -0.8470000     1.134000  
1 1 1 3   7  5  o 173.0000 1.417000  -0.7898000E-01 2.833000  
1 1 1 3   7  6  o 102.4000 0.8720000 0.5767000      1.744000  
1 1 1 3   7  7  o 69.37000 0.6752000 -1.513000      1.350000  
1 1 1 3   7  8  o 20.78000 1.016000  2.419000       2.031000  
1 1 1 3   7  9  o 107.5000 0.8002000 0.5147000      1.600000  
1 1 1 3   7  10 o 62.88000 0.6052000 -1.514000      1.210000  
1 1 1 3   7  11 o 26.99000 0.9201000 -0.6290000     1.840000  
1 1 1 3   7  12 o 30.43000 0.9276000 -2.340000      1.855000  
1 1 1 3   7  13 o 67.58000 0.6605000 -0.7480000     1.321000  
1 1 1 3   7  14 o 69.45000 0.7010000 0.5726000      1.402000  
1 1 1 3   7  15 o 99.48000 0.8044000 0.1616000      1.609000  
1 1 1 3   7  16 o 103.4000 0.8312000 0.2947000      1.662000  
1 1 1 3   7  17 o 55.13000 0.7802000 0.9831000      1.560000  
1 1 1 3   7  18 o 88.12000 0.7806000 2.193000       1.561000  
1 1 1 3   7  19 o 35.01000 0.9889000 -1.934000      1.978000  
1 1 1 3   7  20 o 22.19000 1.526000  4.363000       3.053000  
1 1 1 3   7  21 o 7.262000 2.223000  0.2904000      4.445000  
1 1 1 3   7  22 o 9.492000 2.342000  5.032000       4.684000  
1 1 1 3   7  23 o 8.886000 2.387000  1.988000       4.773000  
1 1 1 3   7  24 o 11.73000 4.067000  ?              ?         
1 1 1 3   8  0  o 4.346000 1.408000  -1.274000      2.816000  
1 1 1 3   8  1  o 40.85000 0.5041000 -2.214000      1.008000  
1 1 1 3   8  2  f 72.45000 0.5697000 0.3053000      1.139000  
1 1 1 3   8  3  o 27.75000 0.6540000 0.1265000      1.308000  
1 1 1 3   8  4  o 25.30000 0.8333000 -0.8787000     1.667000  
1 1 1 3   8  5  o 88.55000 0.7688000 -0.3290000     1.538000  
1 1 1 3   8  6  o 91.75000 0.8061000 -3.293000      1.612000  
1 1 1 3   8  7  o 76.89000 0.7204000 -1.618000      1.441000  
1 1 1 3   8  8  o 83.78000 0.7730000 -2.490000      1.546000  
1 1 1 3   8  9  o 79.93000 0.8029000 -1.446000      1.606000  
1 1 1 3   8  10 o 33.72000 0.7786000 -1.213000      1.557000  
1 1 1 3   8  11 o 59.91000 0.6336000 -0.7396000     1.267000  
1 1 1 3   8  12 o 64.08000 0.6527000 -1.166000      1.305000  
1 1 1 3   8  13 o 81.27000 0.7087000 -1.658000      1.417000  
1 1 1 3   8  14 o 17.54000 1.777000  0.5455000      3.554000  
1 1 1 3   8  15 o 74.30000 0.7253000 0.4814000      1.451000  
1 1 1 3   8  16 o 123.6000 0.9394000 1.746000       1.879000  
1 1 1 3   8  17 o 109.7000 0.8640000 0.3131000      1.728000  
1 1 1 3   8  18 f 146.0000 1.078000  0.2449000      2.157000  
1 1 1 3   8  19 o 49.32000 0.7790000 1.947000       1.558000  
1 1 1 3   8  20 o 16.52000 2.041000  -6.623000      4.083000  
1 1 1 3   8  21 o 7.337000 2.240000  -2.077000      4.480000  
1 1 1 3   8  22 o 7.963000 2.311000  2.706000       4.622000  
1 1 1 3   8  23 o 16.21000 2.417000  -1.723000      4.834000  
1 1 1 3   9  0  o 65.96000 0.5471000 0.2164000      1.094000  
1 1 1 3   9  1  o 89.57000 0.6709000 1.417000       1.342000  
1 1 1 3   9  2  o 79.68000 0.6187000 -0.7587000     1.237000  
1 1 1 3   9  3  o 141.2000 1.010000  3.861000       2.021000  
1 1 1 3   9  4  o 118.0000 0.8595000 -1.817000      1.719000  
1 1 1 3   9  5  o 75.06000 0.6933000 1.702000       1.387000  
1 1 1 3   9  6  o 69.05000 0.6673000 0.2478000      1.335000  
1 1 1 3   9  7  o 107.7000 0.9279000 -1.494000      1.856000  
1 1 1 3   9  8  o 90.07000 0.8097000 3.288000       1.619000  
1 1 1 3   9  9  o 91.06000 0.8261000 0.7981000      1.652000  
1 1 1 3   9  10 o 22.28000 1.275000  -2.434000      2.550000  
1 1 1 3   9  11 o 6.909000 2.086000  2.412000       4.172000  
1 1 1 3   9  12 o 14.66000 2.210000  6.077000       4.420000  
1 1 1 3   9  13 o 28.42000 1.131000  -2.484000      2.262000  
1 1 1 3   9  14 o 33.07000 1.196000  -0.6535000E-01 2.393000  
1 1 1 3   9  15 o 25.26000 1.375000  2.648000       2.749000  
1 1 1 3   9  16 o 58.15000 0.7383000 0.7009000      1.477000  
1 1 1 3   9  17 o 40.52000 0.8682000 -4.879000      1.736000  
1 1 1 3   9  18 o 27.44000 1.771000  -1.572000      3.541000  
1 1 1 3   9  19 o 15.85000 2.108000  4.998000       4.216000  
1 1 1 3   9  20 o 22.10000 2.001000  0.4869000      4.003000  
1 1 1 3   9  21 o 13.96000 2.292000  1.643000       4.583000  
1 1 1 3   9  22 o 11.97000 2.482000  1.892000       4.964000  
1 1 1 3   9  23 o 8.813000 2.660000  2.199000       5.320000  
1 1 1 3   10 0  o 40.07000 0.5465000 0.6086000E-01  1.093000  
1 1 1 3   10 1  o 87.70000 0.6679000 1.088000       1.336000  
1 1 1 3   10 2  o 65.08000 0.5734000 -2.058000      1.147000  
1 1 1 3   10 3  f 66.85000 0.5780000 -1.747000      1.156000  
1 1 1 3   10 4  o 59.57000 0.5794000 -0.9092000     1.159000  
1 1 1 3   10 5  o 41.77000 0.6476000 0.2107000      1.295000  
1 1 1 3   10 6  o 60.17000 0.6390000 0.2664000      1.278000  
1 1 1 3   10 7  o 57.83000 0.6633000 1.594000       1.327000  
1 1 1 3   10 8  o 51.39000 0.7319000 -2.297000      1.464000  
1 1 1 3   10 9  o 23.40000 1.237000  -0.3130000     2.473000  
1 1 1 3   10 10 o 133.7000 1.129000  0.9916000      2.258000  
1 1 1 3   10 11 o 95.45000 0.8701000 1.324000       1.740000  
1 1 1 3   10 12 o 30.40000 1.166000  0.6453000      2.331000  
1 1 1 3   10 13 o 15.13000 2.299000  -0.2724000     4.599000  
1 1 1 3   10 14 o 31.22000 1.192000  0.3290000      2.384000  
1 1 1 3   10 15 o 58.76000 0.8729000 0.3843000      1.746000  
1 1 1 3   10 16 o 78.10000 0.8197000 1.430000       1.639000  
1 1 1 3   10 17 o 14.17000 2.185000  -2.466000      4.370000  
1 1 1 3   10 18 o 38.63000 0.9019000 4.159000       1.804000  
1 1 1 3   10 19 o 15.52000 2.179000  3.509000       4.357000  
1 1 1 3   10 20 o 21.37000 1.560000  1.026000       3.121000  
1 1 1 3   10 21 o 24.04000 1.589000  -3.251000      3.178000  
1 1 1 3   10 22 o 8.431000 2.536000  -0.1814000     5.072000  
1 1 1 3   11 0  f 93.29000 0.7069000 -0.3719000E-01 1.414000  
1 1 1 3   11 1  o 147.2000 1.053000  -0.5355000     2.107000  
1 1 1 3   11 2  o 83.05000 0.6582000 -0.2626000     1.316000  
1 1 1 3   11 3  o 54.04000 0.5837000 0.8080000      1.167000  
1 1 1 3   11 4  o 12.70000 1.905000  -0.1353000     3.809000  
1 1 1 3   11 5  o 49.77000 0.6189000 0.9705000      1.238000  
1 1 1 3   11 6  o 51.11000 0.6415000 0.5950000E-01  1.283000  
1 1 1 3   11 7  o 23.83000 1.113000  -0.8636000     2.225000  
1 1 1 3   11 8  o 29.34000 0.9943000 -0.5421000     1.989000  
1 1 1 3   11 9  o 55.46000 0.7434000 -2.699000      1.487000  
1 1 1 3   11 10 o 56.05000 0.7740000 1.808000       1.548000  
1 1 1 3   11 11 o 15.55000 2.693000  ?              ?         
1 1 1 3   11 12 o 49.35000 0.8409000 -0.9331000     1.682000  
1 1 1 3   11 13 o 40.25000 0.9299000 -1.772000      1.860000  
1 1 1 3   11 14 o 26.91000 1.280000  2.393000       2.560000  
1 1 1 3   11 15 o 18.59000 1.769000  -1.570000      3.538000  
1 1 1 3   11 16 o 15.68000 2.167000  -1.703000      4.334000  
1 1 1 3   11 17 o 8.856000 2.415000  0.7275000      4.829000  
1 1 1 3   11 18 o 15.14000 2.252000  0.6936000      4.505000  
1 1 1 3   11 19 o 16.04000 2.127000  -0.8177000     4.253000  
1 1 1 3   11 20 o 17.20000 1.953000  -1.347000      3.906000  
1 1 1 3   11 21 o 9.432000 2.605000  -1.658000      5.210000  
1 1 1 3   11 22 o 8.290000 2.559000  1.269000       5.117000  
1 1 1 3   12 0  o 42.40000 0.6117000 -1.422000      1.223000  
1 1 1 3   12 1  o 47.25000 0.6127000 1.889000       1.225000  
1 1 1 3   12 2  o 44.40000 0.6263000 -1.391000      1.253000  
1 1 1 3   12 3  o 49.18000 0.6082000 -1.100000      1.216000  
1 1 1 3   12 4  o 34.59000 0.8122000 0.1500000      1.624000  
1 1 1 3   12 5  o 14.91000 1.746000  2.195000       3.492000  
1 1 1 3   12 6  o 53.93000 0.8899000 2.110000       1.780000  
1 1 1 3   12 7  o 43.08000 0.7464000 1.790000       1.493000  
1 1 1 3   12 8  f 25.39000 1.163000  2.418000       2.325000  
1 1 1 3   12 9  o 58.62000 0.7321000 -0.7839000     1.464000  
1 1 1 3   12 10 o 69.53000 0.8246000 -1.742000      1.649000  
1 1 1 3   12 11 o 52.55000 0.7876000 -0.7175000     1.575000  
1 1 1 3   12 12 o 36.65000 0.9675000 -4.632000      1.935000  
1 1 1 3   12 13 o 39.21000 0.9042000 -2.691000      1.808000  
1 1 1 3   12 14 o 32.74000 1.067000  0.8522000      2.135000  
1 1 1 3   12 15 o 40.26000 0.8694000 0.8193000E-01  1.739000  
1 1 1 3   12 16 o 45.08000 0.8552000 -0.3637000     1.710000  
1 1 1 3   12 17 o 15.37000 2.154000  -3.753000      4.307000  
1 1 1 3   12 18 o 7.103000 2.237000  0.2403000      4.474000  
1 1 1 3   12 19 o 20.22000 1.915000  -2.491000      3.829000  
1 1 1 3   12 20 o 10.24000 2.566000  -2.445000      5.132000  
1 1 1 3   12 21 o 10.24000 2.218000  7.581000       4.436000  
1 1 1 3   13 0  o 105.6000 0.8006000 -2.895000      1.601000  
1 1 1 3   13 1  o 136.7000 1.218000  -1.206000      2.436000  
1 1 1 3   13 2  o 111.4000 0.8324000 -0.2584000     1.665000  
1 1 1 3   13 3  o 86.88000 0.7013000 -0.4995000     1.403000  
1 1 1 3   13 4  o 9.675000 2.150000  -5.360000      4.299000  
1 1 1 3   13 5  o 56.25000 0.6728000 1.542000       1.346000  
1 1 1 3   13 6  o 35.67000 0.8671000 0.6910000      1.734000  
1 1 1 3   13 7  o 14.99000 2.038000  2.064000       4.076000  
1 1 1 3   13 8  o 23.53000 1.293000  -2.256000      2.586000  
1 1 1 3   13 9  o 11.89000 2.299000  -3.077000      4.597000  
1 1 1 3   13 10 o 48.06000 0.7646000 -0.3552000     1.529000  
1 1 1 3   13 11 o 27.08000 1.225000  0.2493000E-01  2.451000  
1 1 1 3   13 12 o 8.244000 2.376000  0.2335000      4.752000  
1 1 1 3   13 13 o 7.259000 2.221000  -4.064000      4.442000  
1 1 1 3   13 14 f 25.52000 1.266000  -5.256000      2.533000  
1 1 1 3   13 15 o 12.60000 2.448000  -1.233000      4.896000  
1 1 1 3   13 16 o 7.080000 2.181000  -3.308000      4.362000  
1 1 1 3   13 17 o 16.04000 2.189000  3.156000       4.379000  
1 1 1 3   13 18 o 7.545000 2.319000  -1.160000      4.637000  
1 1 1 3   13 19 f 7.724000 2.368000  -1.641000      4.735000  
1 1 1 3   13 20 o 6.058000 1.993000  1.368000       3.986000  
1 1 1 3   13 21 o 8.152000 3.647000  ?              ?         
1 1 1 3   14 0  o 67.15000 0.6419000 1.684000       1.284000  
1 1 1 3   14 1  o 8.713000 2.199000  3.346000       4.399000  
1 1 1 3   14 2  o 12.17000 1.973000  7.952000       3.946000  
1 1 1 3   14 3  o 26.08000 1.048000  1.238000       2.095000  
1 1 1 3   14 4  o 11.38000 2.210000  -4.862000      4.421000  
1 1 1 3   14 5  o 18.92000 1.579000  3.927000       3.158000  
1 1 1 3   14 6  o 26.75000 1.070000  2.350000       2.141000  
1 1 1 3   14 7  o 23.92000 1.188000  -1.997000      2.376000  
1 1 1 3   14 8  o 40.63000 0.7818000 -1.106000      1.564000  
1 1 1 3   14 9  o 41.93000 0.7701000 0.2208000      1.540000  
1 1 1 3   14 10 o 45.64000 0.7631000 0.3156000      1.526000  
1 1 1 3   14 11 o 23.40000 1.259000  1.320000       2.517000  
1 1 1 3   14 12 o 11.20000 2.287000  -5.299000      4.573000  
1 1 1 3   14 13 o 14.64000 2.108000  -2.072000      4.215000  
1 1 1 3   14 14 o 22.05000 1.496000  0.6309000      2.993000  
1 1 1 3   14 15 o 15.33000 2.105000  -4.459000      4.209000  
1 1 1 3   14 16 o 29.41000 1.141000  -1.388000      2.283000  
1 1 1 3   14 17 o 11.45000 2.550000  0.7010000      5.100000  
1 1 1 3   14 18 o 11.68000 2.590000  -6.191000      5.180000  
1 1 1 3   14 19 o 10.67000 2.173000  6.981000       4.347000  
1 1 1 3   14 20 o 8.040000 3.578000  ?              ?         
1 1 1 3   15 0  o 24.68000 1.074000  4.154000       2.148000  
1 1 1 3   15 1  o 22.04000 1.181000  1.002000       2.363000  
1 1 1 3   15 2  o 26.57000 0.9926000 1.016000       1.985000  
1 1 1 3   15 3  o 59.38000 0.6404000 0.7383000E-01  1.281000  
1 1 1 3   15 4  o 88.08000 0.7225000 -1.968000      1.445000  
1 1 1 3   15 5  o 13.57000 1.976000  9.969000       3.952000  
1 1 1 3   15 6  o 65.86000 0.6632000 -1.493000      1.326000  
1 1 1 3   15 7  o 39.71000 0.7839000 -1.874000      1.568000  
1 1 1 3   15 8  o 17.80000 1.610000  0.8494000      3.221000  
1 1 1 3   15 9  o 21.86000 1.338000  -2.048000      2.676000  
1 1 1 3   15 10 o 18.49000 1.642000  3.139000       3.285000  
1 1 1 3   15 11 o 6.765000 2.083000  -3.770000      4.165000  
1 1 1 3   15 12 o 8.189000 2.334000  -1.731000      4.668000  
1 1 1 3   15 13 o 10.94000 2.453000  -0.3061000     4.905000  
1 1 1 3   15 14 o 7.559000 2.324000  -1.596000      4.649000  
1 1 1 3   15 15 o 7.544000 2.334000  -2.189000      4.668000  
1 1 1 3   15 16 o 6.968000 2.229000  -0.6015000     4.458000  
1 1 1 3   15 17 o 8.632000 2.398000  1.764000       4.796000  
1 1 1 3   15 18 o 8.703000 2.437000  0.7551000      4.874000  
1 1 1 3   15 19 o 6.903000 3.265000  ?              ?         
1 1 1 3   16 0  o 11.01000 2.181000  -0.4198000     4.362000  
1 1 1 3   16 1  o 5.671000 1.850000  -0.7797000     3.700000  
1 1 1 3   16 2  o 11.05000 2.111000  -3.992000      4.221000  
1 1 1 3   16 3  o 16.26000 1.659000  -4.554000      3.318000  
1 1 1 3   16 4  o 40.13000 0.7300000 0.3002000      1.460000  
1 1 1 3   16 5  o 18.92000 1.516000  -3.086000      3.031000  
1 1 1 3   16 6  o 20.04000 1.448000  -1.133000      2.896000  
1 1 1 3   16 7  o 16.76000 1.793000  -6.794000      3.585000  
1 1 1 3   16 8  o 7.910000 2.171000  -3.589000      4.343000  
1 1 1 3   16 9  o 6.978000 2.164000  -0.6801000     4.327000  
1 1 1 3   16 10 o 31.44000 0.9797000 -3.867000      1.959000  
1 1 1 3   16 11 o 5.667000 1.889000  -0.7507000     3.778000  
1 1 1 3   16 12 o 28.31000 1.058000  -0.4957000     2.116000  
1 1 1 3   16 13 o 4.838000 1.696000  -1.425000      3.392000  
1 1 1 3   16 14 o 19.75000 1.749000  -8.708000      3.499000  
1 1 1 3   16 15 o 8.130000 2.448000  -0.3045000     4.896000  
1 1 1 3   16 16 o 12.17000 2.397000  4.943000       4.794000  
1 1 1 3   16 17 o 5.149000 1.801000  -0.1929000     3.603000  
1 1 1 3   16 18 o 8.518000 3.760000  ?              ?         
1 1 1 3   17 0  o 11.71000 2.121000  -2.776000      4.241000  
1 1 1 3   17 1  o 15.16000 1.723000  1.448000       3.447000  
1 1 1 3   17 2  o 8.982000 2.241000  2.018000       4.482000  
1 1 1 3   17 3  o 25.87000 1.044000  -0.5931000     2.088000  
1 1 1 3   17 4  o 25.88000 1.092000  -0.7884000     2.184000  
1 1 1 3   17 5  o 9.569000 2.254000  -3.044000      4.507000  
1 1 1 3   17 6  o 27.51000 1.440000  -6.303000      2.881000  
1 1 1 3   17 7  o 15.34000 1.927000  3.872000       3.854000  
1 1 1 3   17 8  o 12.02000 2.161000  -5.692000      4.322000  
1 1 1 3   17 9  o 11.13000 2.433000  2.321000       4.866000  
1 1 1 3   17 10 o 17.99000 1.778000  -2.941000      3.555000  
1 1 1 3   17 11 o 9.497000 2.499000  -1.215000      4.999000  
1 1 1 3   17 12 o 6.743000 2.172000  -2.618000      4.343000  
1 1 1 3   17 13 o 7.130000 2.223000  0.1588000E-02  4.445000  
1 1 1 3   17 14 o 7.191000 2.308000  -3.380000      4.615000  
1 1 1 3   17 15 o 7.956000 2.414000  -0.2267000     4.827000  
1 1 1 3   17 16 o 8.259000 2.496000  -1.195000      4.992000  
1 1 1 3   18 0  o 18.49000 1.529000  1.274000       3.057000  
1 1 1 3   18 1  o 22.14000 1.247000  -1.280000      2.493000  
1 1 1 3   18 2  o 13.37000 2.106000  -1.268000      4.211000  
1 1 1 3   18 3  o 8.659000 2.316000  2.197000       4.632000  
1 1 1 3   18 4  o 17.82000 1.624000  2.824000       3.248000  
1 1 1 3   18 5  o 12.86000 2.283000  -3.942000      4.566000  
1 1 1 3   18 6  o 9.049000 2.305000  -3.299000      4.610000  
1 1 1 3   18 7  o 8.475000 2.365000  2.386000       4.730000  
1 1 1 3   18 8  o 9.554000 2.474000  1.898000       4.948000  
1 1 1 3   18 9  o 7.391000 2.239000  -1.420000      4.478000  
1 1 1 3   18 10 o 16.06000 2.154000  0.5733000      4.308000  
1 1 1 3   18 11 o 18.57000 1.960000  -0.2150000     3.920000  
1 1 1 3   18 12 o 10.67000 2.506000  2.533000       5.012000  
1 1 1 3   18 13 f 6.492000 2.160000  -1.021000      4.319000  
1 1 1 3   18 14 f 8.802000 2.521000  0.4639000      5.042000  
1 1 1 3   18 15 o 10.47000 2.749000  -4.001000      5.498000  
1 1 1 3   19 0  o 9.969000 2.409000  -2.748000      4.817000  
1 1 1 3   19 1  o 7.914000 2.297000  -0.7777000     4.594000  
1 1 1 3   19 2  o 9.871000 2.419000  -1.000000      4.837000  
1 1 1 3   19 3  o 13.97000 2.326000  1.179000       4.651000  
1 1 1 3   19 4  o 23.36000 1.404000  -0.7152000     2.808000  
1 1 1 3   19 5  o 8.748000 2.405000  4.110000       4.811000  
1 1 1 3   19 6  o 7.309000 2.281000  -0.6080000     4.563000  
1 1 1 3   19 7  o 11.37000 2.606000  -0.8651000     5.212000  
1 1 1 3   19 8  o 7.383000 2.328000  0.2661000      4.656000  
1 1 1 3   19 9  o 6.673000 2.248000  -0.7120000     4.495000  
1 1 1 3   19 10 f 7.657000 2.326000  2.740000       4.652000  
1 1 1 3   19 11 o 7.951000 2.391000  2.707000       4.783000  
1 1 1 3   19 12 o 6.755000 2.125000  2.849000       4.250000  
1 1 1 3   19 13 o 6.383000 2.133000  2.823000       4.266000  
1 1 1 3   20 0  o 13.59000 2.506000  0.6487000      5.012000  
1 1 1 3   20 1  o 9.318000 2.526000  -1.250000      5.052000  
1 1 1 3   20 2  o 7.452000 2.218000  -3.872000      4.435000  
1 1 1 3   20 3  o 12.11000 2.574000  -1.646000      5.148000  
1 1 1 3   20 4  o 14.41000 2.532000  0.5346000      5.064000  
1 1 1 3   20 5  o 5.124000 1.802000  0.7658000      3.604000  
1 1 1 3   20 6  o 7.024000 2.234000  -2.389000      4.468000  
1 1 1 3   20 7  o 8.381000 2.472000  3.507000       4.945000  
1 1 1 3   20 8  o 7.601000 2.285000  -4.718000      4.570000  
1 1 1 3   20 9  o 5.207000 1.829000  -1.344000      3.658000  
1 1 1 3   20 10 o 6.291000 2.151000  -1.042000      4.303000  
1 1 1 3   21 0  o 7.231000 2.290000  -2.090000      4.579000  
1 1 1 3   21 1  o 11.38000 2.849000  -2.399000      5.697000  
1 1 1 3   21 2  o 8.020000 2.425000  2.449000       4.849000  
1 1 1 3   21 3  o 9.551000 2.470000  6.199000       4.939000  
1 1 1 3   21 4  o 7.507000 2.384000  1.315000       4.768000  
1 1 1 3   21 5  f 6.629000 2.231000  -0.8565000     4.462000  
1 1 1 4   0  0  o 10.12000 1.122000  0.000000       0.000000  
1 1 1 4   0  1  o 3.264000 1.978000  0.000000       0.000000  
1 1 1 4   0  2  o 34.28000 0.5487000 0.000000       0.000000  
1 1 1 4   0  3  o 50.58000 0.6088000 0.000000       0.000000  
1 1 1 4   0  4  o 8.186000 2.347000  0.000000       0.000000  
1 1 1 4   0  5  o 17.53000 1.036000  0.000000       0.000000  
1 1 1 4   0  6  o 25.54000 0.8312000 0.000000       0.000000  
1 1 1 4   0  7  o 30.54000 0.7571000 0.000000       0.000000  
1 1 1 4   0  8  o 24.08000 1.090000  0.000000       0.000000  
1 1 1 4   0  9  o 15.46000 1.826000  0.000000       0.000000  
1 1 1 4   0  10 o 3.121000 2.219000  0.000000       0.000000  
1 1 1 4   0  11 o 66.05000 0.8629000 0.000000       0.000000  
1 1 1 4   0  12 o 43.44000 0.9595000 0.000000       0.000000  
1 1 1 4   0  13 o 75.44000 0.9297000 0.000000       0.000000  
1 1 1 4   0  14 o 24.68000 1.624000  0.000000       0.000000  
1 1 1 4   0  15 o 6.782000 3.827000  0.000000       0.000000  
1 1 1 4   0  16 o 234.2000 2.348000  0.000000       0.000000  
1 1 1 4   0  17 o 320.5000 3.199000  0.000000       0.000000  
1 1 1 4   0  18 o 378.7000 3.785000  0.000000       0.000000  
1 1 1 4   0  19 o 197.5000 2.002000  0.000000       0.000000  
1 1 1 4   0  20 o 21.55000 2.282000  0.000000       0.000000  
1 1 1 4   0  21 o 100.7000 1.143000  0.000000       0.000000  
1 1 1 4   0  22 o 34.96000 1.402000  0.000000       0.000000  
1 1 1 4   0  23 o 23.28000 1.959000  0.000000       0.000000  
1 1 1 4   0  24 o 34.01000 1.344000  0.000000       0.000000  
1 1 1 4   1  0  o 143.9000 1.014000  4.390000       2.028000  
1 1 1 4   1  1  o 204.1000 1.435000  1.891000       2.869000  
1 1 1 4   1  2  o 106.7000 0.7612000 -1.160000      1.522000  
1 1 1 4   1  3  o 198.8000 1.399000  1.228000       2.798000  
1 1 1 4   1  4  o 214.2000 1.507000  -1.952000      3.014000  
1 1 1 4   1  5  o 67.39000 0.5252000 0.8520000E-01  1.050000  
1 1 1 4   1  6  o 118.3000 1.040000  1.181000       2.081000  
1 1 1 4   1  7  o 113.1000 0.9998000 -0.1807000E-01 2.000000  
1 1 1 4   1  8  o 57.71000 0.5312000 -0.4284000     1.062000  
1 1 1 4   1  9  o 50.05000 0.5528000 2.843000       1.106000  
1 1 1 4   1  10 o 53.10000 0.5676000 -0.7267000     1.135000  
1 1 1 4   1  11 o 98.91000 0.7527000 -0.1583000     1.505000  
1 1 1 4   1  12 o 62.72000 0.6128000 -1.730000      1.226000  
1 1 1 4   1  13 o 33.06000 0.8081000 -0.8976000     1.616000  
1 1 1 4   1  14 o 43.20000 0.7318000 -0.5670000     1.464000  
1 1 1 4   1  15 o 64.13000 0.6856000 -0.7807000     1.371000  
1 1 1 4   1  16 o 75.62000 0.6986000 -2.856000      1.397000  
1 1 1 4   1  17 o 90.75000 0.7670000 1.035000       1.534000  
1 1 1 4   1  18 o 77.95000 0.7475000 -0.4021000     1.495000  
1 1 1 4   1  19 o 42.02000 0.8900000 -0.1113000E-01 1.780000  
1 1 1 4   1  20 o 12.53000 2.521000  -0.9822000     5.043000  
1 1 1 4   1  21 o 56.90000 0.7348000 -0.8299000     1.470000  
1 1 1 4   1  22 o 35.27000 1.011000  0.4682000      2.023000  
1 1 1 4   1  23 o 35.21000 0.9802000 0.9641000      1.960000  
1 1 1 4   1  24 o 11.33000 2.461000  -3.456000      4.923000  
1 1 1 4   2  0  o 107.6000 0.7643000 1.823000       1.529000  
1 1 1 4   2  1  o 46.77000 0.3910000 -0.9690000     0.7820000 
1 1 1 4   2  2  o 64.76000 0.4940000 0.8060000E-01  0.9879000 
1 1 1 4   2  3  f 33.38000 0.4128000 0.3435000E-01  0.8256000 
1 1 1 4   2  4  o 23.62000 0.5519000 1.609000       1.104000  
1 1 1 4   2  5  o 8.297000 1.459000  -2.522000      2.918000  
1 1 1 4   2  6  o 69.88000 0.5474000 -0.5727000     1.095000  
1 1 1 4   2  7  o 44.33000 0.4995000 0.3007000E-01  0.9990000 
1 1 1 4   2  8  o 8.391000 1.962000  -1.243000      3.924000  
1 1 1 4   2  9  o 26.36000 0.7956000 1.436000       1.591000  
1 1 1 4   2  10 o 49.80000 0.5902000 -1.997000      1.180000  
1 1 1 4   2  11 o 89.42000 0.7036000 0.9314000      1.407000  
1 1 1 4   2  12 f 62.19000 0.6111000 0.6400000      1.222000  
1 1 1 4   2  13 o 95.73000 0.7458000 -0.5200000     1.492000  
1 1 1 4   2  14 o 95.75000 0.7543000 -0.2262000     1.509000  
1 1 1 4   2  15 o 96.62000 0.7725000 0.1253000      1.545000  
1 1 1 4   2  16 o 32.53000 1.038000  -1.228000      2.075000  
1 1 1 4   2  17 o 243.3000 1.728000  -1.458000      3.457000  
1 1 1 4   2  18 o 122.6000 0.9332000 -0.3271000     1.866000  
1 1 1 4   2  19 o 70.31000 0.7505000 -2.221000      1.501000  
1 1 1 4   2  20 o 114.6000 0.8946000 1.301000       1.789000  
1 1 1 4   2  21 o 119.9000 0.9250000 1.613000       1.850000  
1 1 1 4   2  22 o 26.96000 1.259000  1.187000       2.518000  
1 1 1 4   2  23 o 30.56000 1.071000  -0.5990000     2.142000  
1 1 1 4   2  24 o 9.971000 2.494000  -0.5639000     4.988000  
1 1 1 4   3  0  o 194.6000 1.371000  -0.3204000     2.742000  
1 1 1 4   3  1  o 136.3000 0.9639000 4.594000       1.928000  
1 1 1 4   3  2  o 126.4000 0.8967000 0.6531000      1.793000  
1 1 1 4   3  3  o 102.2000 0.7354000 0.8082000      1.471000  
1 1 1 4   3  4  o 107.9000 0.7753000 3.577000       1.551000  
1 1 1 4   3  5  o 81.91000 0.7468000 -1.188000      1.494000  
1 1 1 4   3  6  o 117.2000 0.8432000 1.466000       1.686000  
1 1 1 4   3  7  o 6.825000 1.831000  -0.8999000     3.661000  
1 1 1 4   3  8  f 64.19000 0.5582000 1.041000       1.116000  
1 1 1 4   3  9  o 65.68000 0.5840000 -1.367000      1.168000  
1 1 1 4   3  10 o 89.41000 0.6941000 -2.709000      1.388000  
1 1 1 4   3  11 o 70.13000 0.6185000 -0.8774000E-01 1.237000  
1 1 1 4   3  12 o 109.8000 0.8215000 1.313000       1.643000  
1 1 1 4   3  13 o 26.57000 0.9786000 2.565000       1.957000  
1 1 1 4   3  14 o 179.3000 1.282000  -1.348000      2.564000  
1 1 1 4   3  15 o 68.16000 0.6874000 0.6470000      1.375000  
1 1 1 4   3  16 o 61.44000 0.7102000 -0.2704000     1.420000  
1 1 1 4   3  17 o 62.70000 0.7305000 -0.2284000     1.461000  
1 1 1 4   3  18 o 18.52000 1.900000  2.080000       3.800000  
1 1 1 4   3  19 o 51.98000 0.8133000 -0.6744000E-02 1.627000  
1 1 1 4   3  20 o 75.05000 0.7273000 1.606000       1.455000  
1 1 1 4   3  21 o 41.12000 0.8736000 1.072000       1.747000  
1 1 1 4   3  22 o 18.07000 1.889000  7.028000       3.779000  
1 1 1 4   3  23 o 7.943000 2.243000  -3.218000      4.487000  
1 1 1 4   3  24 o 7.897000 2.342000  0.1809000      4.683000  
1 1 1 4   4  0  o 11.53000 0.6834000 0.2006000      1.367000  
1 1 1 4   4  1  o 25.94000 0.4061000 -0.8238000E-01 0.8122000 
1 1 1 4   4  2  o 23.06000 0.4823000 0.9332000      0.9646000 
1 1 1 4   4  3  o 31.63000 0.4466000 -0.1055000E-01 0.8932000 
1 1 1 4   4  4  o 29.15000 0.5074000 0.7476000      1.015000  
1 1 1 4   4  5  f 49.80000 0.4770000 1.207000       0.9541000 
1 1 1 4   4  6  o 29.94000 0.6019000 1.913000       1.204000  
1 1 1 4   4  7  o 25.93000 0.8914000 0.6614000      1.783000  
1 1 1 4   4  8  o 48.81000 0.5522000 0.2514000      1.104000  
1 1 1 4   4  9  o 66.60000 0.5941000 -0.8979000     1.188000  
1 1 1 4   4  10 o 75.90000 0.6343000 -1.109000      1.269000  
1 1 1 4   4  11 o 51.39000 0.6133000 0.2400000      1.227000  
1 1 1 4   4  12 o 98.62000 0.7596000 2.786000       1.519000  
1 1 1 4   4  13 o 39.01000 0.7504000 3.103000       1.501000  
1 1 1 4   4  14 o 170.3000 1.222000  -0.9165000     2.445000  
1 1 1 4   4  15 o 126.9000 0.9471000 3.782000       1.894000  
1 1 1 4   4  16 f 100.6000 0.8085000 1.711000       1.617000  
1 1 1 4   4  17 o 117.4000 0.9012000 1.101000       1.802000  
1 1 1 4   4  18 o 117.9000 0.9088000 -0.6908000     1.818000  
1 1 1 4   4  19 o 95.83000 0.8013000 -0.8160000     1.603000  
1 1 1 4   4  20 o 92.17000 0.7715000 0.9250000      1.543000  
1 1 1 4   4  21 o 46.27000 0.8032000 0.3344000      1.606000  
1 1 1 4   4  22 o 36.01000 0.9330000 -1.728000      1.866000  
1 1 1 4   4  23 o 12.21000 2.714000  1.284000       5.429000  
1 1 1 4   4  24 o 8.789000 2.575000  -2.146000      5.151000  
1 1 1 4   5  0  o 58.32000 0.6477000 ?              ?         
1 1 1 4   5  1  o 102.3000 0.7337000 -3.089000      1.467000  
1 1 1 4   5  2  o 56.60000 0.4632000 0.9317000      0.9265000 
1 1 1 4   5  3  o 105.4000 0.7594000 2.801000       1.519000  
1 1 1 4   5  4  o 57.65000 0.5054000 1.628000       1.011000  
1 1 1 4   5  5  o 160.0000 1.134000  -0.1688000     2.268000  
1 1 1 4   5  6  o 119.3000 0.8618000 0.5608000E-02  1.724000  
1 1 1 4   5  7  o 156.3000 1.112000  -0.8065000     2.225000  
1 1 1 4   5  8  o 15.69000 1.290000  -0.4395000     2.581000  
1 1 1 4   5  9  o 38.62000 0.6309000 -0.1609000     1.262000  
1 1 1 4   5  10 o 66.52000 0.6116000 -1.433000      1.223000  
1 1 1 4   5  11 o 73.69000 0.6477000 1.754000       1.295000  
1 1 1 4   5  12 o 50.79000 0.6570000 0.8330000      1.314000  
1 1 1 4   5  13 o 97.74000 0.7729000 0.2191000      1.546000  
1 1 1 4   5  14 o 71.74000 0.6851000 -0.1466000     1.370000  
1 1 1 4   5  15 o 53.35000 0.7245000 -1.424000      1.449000  
1 1 1 4   5  16 o 90.31000 0.7686000 -1.788000      1.537000  
1 1 1 4   5  17 o 89.16000 0.7673000 0.3012000      1.535000  
1 1 1 4   5  18 o 74.70000 0.7487000 -0.7561000E-02 1.497000  
1 1 1 4   5  19 o 50.36000 0.8084000 0.7190000      1.617000  
1 1 1 4   5  20 o 49.84000 0.7895000 -0.5866000     1.579000  
1 1 1 4   5  21 o 29.78000 1.091000  -2.373000      2.182000  
1 1 1 4   5  22 o 19.93000 1.651000  -3.168000      3.303000  
1 1 1 4   5  23 o 9.623000 2.397000  -2.810000      4.793000  
1 1 1 4   6  0  o 37.86000 0.5275000 -0.2254000     1.055000  
1 1 1 4   6  1  o 44.07000 0.5243000 -0.3018000     1.049000  
1 1 1 4   6  2  o 27.19000 0.6624000 -0.1048000     1.325000  
1 1 1 4   6  3  o 26.83000 0.7277000 -0.5859000     1.455000  
1 1 1 4   6  4  o 6.734000 1.969000  1.500000       3.937000  
1 1 1 4   6  5  o 9.803000 1.722000  -2.927000      3.443000  
1 1 1 4   6  6  o 34.68000 0.7882000 0.2784000      1.576000  
1 1 1 4   6  7  o 52.90000 0.5479000 -1.091000      1.096000  
1 1 1 4   6  8  o 69.82000 0.5951000 0.1569000      1.190000  
1 1 1 4   6  9  o 79.07000 0.6427000 -1.536000      1.285000  
1 1 1 4   6  10 o 98.34000 0.7514000 -0.3917000     1.503000  
1 1 1 4   6  11 o 27.35000 0.9592000 0.8459000      1.918000  
1 1 1 4   6  12 o 51.96000 0.6609000 -0.2411000     1.322000  
1 1 1 4   6  13 o 124.9000 0.9285000 0.7553000      1.857000  
1 1 1 4   6  14 o 179.0000 1.284000  -0.4594000     2.569000  
1 1 1 4   6  15 o 38.84000 0.8885000 -0.5615000     1.777000  
1 1 1 4   6  16 f 71.97000 0.7278000 2.644000       1.456000  
1 1 1 4   6  17 o 99.51000 0.8181000 -0.6021000     1.636000  
1 1 1 4   6  18 o 164.9000 1.200000  0.4907000      2.400000  
1 1 1 4   6  19 o 95.30000 0.7920000 -0.9977000     1.584000  
1 1 1 4   6  20 o 34.91000 1.005000  -3.200000      2.010000  
1 1 1 4   6  21 o 52.92000 0.7353000 0.7268000      1.471000  
1 1 1 4   6  22 o 10.16000 2.218000  -6.644000      4.435000  
1 1 1 4   6  23 o 12.91000 2.327000  -1.094000      4.654000  
1 1 1 4   7  0  o 161.0000 1.140000  0.7393000      2.280000  
1 1 1 4   7  1  o 57.99000 0.6130000 -0.7535000     1.226000  
1 1 1 4   7  2  o 93.12000 0.7910000 0.3599000      1.582000  
1 1 1 4   7  3  o 119.8000 0.9907000 1.496000       1.981000  
1 1 1 4   7  4  o 67.75000 0.6302000 -0.7911000     1.260000  
1 1 1 4   7  5  o 24.83000 0.8591000 -2.604000      1.718000  
1 1 1 4   7  6  o 222.2000 1.570000  6.678000       3.140000  
1 1 1 4   7  7  o 115.0000 0.8446000 1.117000       1.689000  
1 1 1 4   7  8  o 123.6000 0.9016000 -0.4321000     1.803000  
1 1 1 4   7  9  o 121.6000 1.265000  -0.4929000     2.531000  
1 1 1 4   7  10 o 106.2000 0.8053000 -0.7250000     1.611000  
1 1 1 4   7  11 f 22.24000 1.158000  -0.8871000E-01 2.316000  
1 1 1 4   7  12 o 27.67000 1.041000  2.568000       2.082000  
1 1 1 4   7  13 o 78.65000 0.7029000 1.238000       1.406000  
1 1 1 4   7  14 f 95.93000 0.7805000 -1.481000      1.561000  
1 1 1 4   7  15 o 56.57000 0.7416000 0.2471000      1.483000  
1 1 1 4   7  16 o 99.37000 0.8112000 0.6197000      1.622000  
1 1 1 4   7  17 o 72.61000 0.7319000 1.076000       1.464000  
1 1 1 4   7  18 o 17.21000 2.010000  4.834000       4.021000  
1 1 1 4   7  19 o 21.06000 1.581000  3.013000       3.161000  
1 1 1 4   7  20 o 10.34000 2.489000  -0.2243000     4.978000  
1 1 1 4   7  21 o 12.30000 2.365000  -4.799000      4.730000  
1 1 1 4   7  22 o 9.043000 2.381000  -0.8824000     4.761000  
1 1 1 4   7  23 o 10.73000 2.666000  3.943000       5.333000  
1 1 1 4   8  0  o 33.11000 0.5430000 -0.8445000     1.086000  
1 1 1 4   8  1  o 64.07000 0.5329000 0.6699000      1.066000  
1 1 1 4   8  2  o 88.58000 0.9400000 ?              ?         
1 1 1 4   8  3  o 51.17000 0.5739000 1.250000       1.148000  
1 1 1 4   8  4  o 85.31000 0.7471000 -1.320000      1.494000  
1 1 1 4   8  5  o 68.32000 0.7005000 -0.2397000E-01 1.401000  
1 1 1 4   8  6  o 32.32000 0.7565000 -0.7656000     1.513000  
1 1 1 4   8  7  o 61.95000 0.6572000 0.6238000      1.314000  
1 1 1 4   8  8  o 106.8000 0.7997000 0.2326000      1.599000  
1 1 1 4   8  9  o 90.77000 0.7174000 -2.281000      1.435000  
1 1 1 4   8  10 o 65.58000 0.6374000 0.7486000      1.275000  
1 1 1 4   8  11 f 20.97000 1.319000  0.9001000      2.638000  
1 1 1 4   8  12 o 86.36000 0.7267000 0.6681000      1.453000  
1 1 1 4   8  13 o 137.7000 1.014000  0.5446000      2.029000  
1 1 1 4   8  14 o 116.6000 0.8934000 0.7593000      1.787000  
1 1 1 4   8  15 o 41.34000 1.013000  -2.400000      2.025000  
1 1 1 4   8  16 o 116.9000 0.9078000 -1.430000      1.816000  
1 1 1 4   8  17 o 135.2000 1.014000  0.2383000      2.027000  
1 1 1 4   8  18 o 122.7000 0.9339000 -1.122000      1.868000  
1 1 1 4   8  19 o 54.60000 0.7328000 -0.3633000     1.466000  
1 1 1 4   8  20 o 22.17000 1.429000  5.306000       2.857000  
1 1 1 4   8  21 o 25.29000 1.294000  1.533000       2.588000  
1 1 1 4   8  22 o 9.944000 2.319000  4.660000       4.637000  
1 1 1 4   9  0  o 95.84000 0.7114000 2.132000       1.423000  
1 1 1 4   9  1  o 161.0000 1.144000  1.890000       2.288000  
1 1 1 4   9  2  o 109.9000 0.8019000 1.192000       1.604000  
1 1 1 4   9  3  o 124.9000 1.097000  4.820000       2.195000  
1 1 1 4   9  4  f 51.27000 0.6445000 -1.866000      1.289000  
1 1 1 4   9  5  o 69.91000 0.6683000 0.3427000      1.337000  
1 1 1 4   9  6  o 120.6000 1.005000  3.092000       2.011000  
1 1 1 4   9  7  o 119.3000 1.011000  0.1833000      2.022000  
1 1 1 4   9  8  f 170.7000 1.412000  ?              ?         
1 1 1 4   9  9  o 79.29000 0.7750000 0.4237000      1.550000  
1 1 1 4   9  10 o 43.63000 0.7754000 -1.995000      1.551000  
1 1 1 4   9  11 o 49.67000 0.7201000 -1.022000      1.440000  
1 1 1 4   9  12 o 40.44000 0.8468000 -0.6164000     1.694000  
1 1 1 4   9  13 o 51.66000 0.7692000 -0.2432000E-01 1.538000  
1 1 1 4   9  14 o 58.15000 0.7513000 -0.1595000     1.503000  
1 1 1 4   9  15 o 95.49000 0.7928000 2.054000       1.586000  
1 1 1 4   9  16 o 56.67000 0.7593000 -0.6479000     1.519000  
1 1 1 4   9  17 o 31.85000 1.057000  -0.7528000     2.114000  
1 1 1 4   9  18 o 12.09000 2.404000  2.317000       4.807000  
1 1 1 4   9  19 o 18.52000 1.713000  -0.2925000     3.426000  
1 1 1 4   9  20 o 9.237000 2.419000  1.119000       4.839000  
1 1 1 4   9  21 o 5.564000 1.891000  1.155000       3.782000  
1 1 1 4   9  22 o 8.982000 2.694000  0.2022000      5.387000  
1 1 1 4   10 0  o 64.68000 0.5628000 0.6129000      1.126000  
1 1 1 4   10 1  o 35.03000 0.6317000 -0.3387000E-02 1.263000  
1 1 1 4   10 2  o 19.89000 1.024000  3.359000       2.047000  
1 1 1 4   10 3  o 46.67000 0.6579000 1.250000       1.316000  
1 1 1 4   10 4  o 14.52000 1.608000  1.303000       3.215000  
1 1 1 4   10 5  o 22.34000 1.041000  0.8570000      2.082000  
1 1 1 4   10 6  o 67.21000 0.6756000 -0.9678000     1.351000  
1 1 1 4   10 7  o 37.09000 0.7494000 -2.032000      1.499000  
1 1 1 4   10 8  o 21.79000 1.295000  -2.208000      2.591000  
1 1 1 4   10 9  o 73.24000 0.7549000 -0.7433000     1.510000  
1 1 1 4   10 10 o 82.95000 0.8004000 -0.8081000     1.601000  
1 1 1 4   10 11 o 33.25000 1.035000  0.9243000E-01  2.069000  
1 1 1 4   10 12 o 44.29000 0.8784000 0.9119000      1.757000  
1 1 1 4   10 13 o 22.23000 1.567000  0.1405000      3.134000  
1 1 1 4   10 14 o 47.85000 0.8012000 -0.1908000     1.602000  
1 1 1 4   10 15 o 71.90000 0.7320000 0.4627000      1.464000  
1 1 1 4   10 16 o 74.56000 0.7327000 0.9270000      1.465000  
1 1 1 4   10 17 o 22.02000 1.403000  -2.205000      2.806000  
1 1 1 4   10 18 o 27.77000 1.165000  -2.794000      2.330000  
1 1 1 4   10 19 o 18.35000 1.801000  -0.4540000     3.602000  
1 1 1 4   10 20 o 23.68000 1.779000  -0.3432000     3.558000  
1 1 1 4   10 21 o 13.96000 2.290000  7.514000       4.581000  
1 1 1 4   10 22 o 7.773000 3.584000  ?              ?         
1 1 1 4   11 0  o 54.18000 0.5735000 1.829000       1.147000  
1 1 1 4   11 1  o 82.93000 0.8185000 3.033000       1.637000  
1 1 1 4   11 2  o 66.48000 0.5995000 -1.997000      1.199000  
1 1 1 4   11 3  o 84.50000 0.6709000 -1.342000      1.342000  
1 1 1 4   11 4  o 71.51000 0.6333000 3.452000       1.267000  
1 1 1 4   11 5  o 44.89000 0.7129000 -1.264000      1.426000  
1 1 1 4   11 6  o 20.14000 1.356000  -3.102000      2.711000  
1 1 1 4   11 7  o 12.43000 2.145000  3.972000       4.290000  
1 1 1 4   11 8  o 95.31000 0.8485000 4.113000       1.697000  
1 1 1 4   11 9  o 36.97000 0.9032000 -2.905000      1.806000  
1 1 1 4   11 10 o 12.29000 2.490000  -0.4003000     4.980000  
1 1 1 4   11 11 o 21.39000 1.883000  ?              ?         
1 1 1 4   11 12 o 30.26000 1.200000  2.207000       2.399000  
1 1 1 4   11 13 o 21.68000 1.593000  -0.8083000E-01 3.187000  
1 1 1 4   11 14 o 9.062000 2.445000  -4.577000      4.891000  
1 1 1 4   11 15 o 20.26000 1.603000  0.9010000      3.206000  
1 1 1 4   11 16 f 10.28000 3.241000  ?              ?         
1 1 1 4   11 17 o 20.58000 1.622000  3.207000       3.244000  
1 1 1 4   11 18 o 8.032000 2.171000  -5.227000      4.343000  
1 1 1 4   11 19 o 8.465000 2.406000  0.5185000      4.812000  
1 1 1 4   11 20 o 7.917000 2.357000  0.4458000      4.715000  
1 1 1 4   11 21 o 7.565000 2.385000  2.010000       4.770000  
1 1 1 4   12 0  o 50.88000 0.6025000 0.3325000      1.205000  
1 1 1 4   12 1  o 44.48000 0.6326000 0.8441000      1.265000  
1 1 1 4   12 2  o 37.68000 0.8845000 2.308000       1.769000  
1 1 1 4   12 3  o 21.35000 1.178000  -2.721000      2.357000  
1 1 1 4   12 4  o 20.66000 1.300000  -0.6179000     2.601000  
1 1 1 4   12 5  o 24.90000 1.164000  -2.029000      2.327000  
1 1 1 4   12 6  o 25.99000 1.142000  1.126000       2.284000  
1 1 1 4   12 7  o 32.07000 0.9026000 -1.571000      1.805000  
1 1 1 4   12 8  o 41.36000 0.8023000 -0.3278000     1.605000  
1 1 1 4   12 9  o 23.31000 1.326000  -5.003000      2.652000  
1 1 1 4   12 10 o 16.41000 2.096000  -3.372000      4.192000  
1 1 1 4   12 11 o 8.488000 3.614000  ?              ?         
1 1 1 4   12 12 o 7.411000 2.252000  -2.036000      4.505000  
1 1 1 4   12 13 o 7.305000 2.212000  1.579000       4.424000  
1 1 1 4   12 14 o 22.10000 1.489000  -1.125000      2.979000  
1 1 1 4   12 15 o 6.890000 2.194000  -1.559000      4.389000  
1 1 1 4   12 16 o 18.91000 1.680000  -6.519000      3.361000  
1 1 1 4   12 17 o 15.78000 2.140000  -4.284000      4.280000  
1 1 1 4   12 18 o 13.04000 2.518000  1.415000       5.035000  
1 1 1 4   12 19 o 8.254000 2.375000  -5.182000      4.749000  
1 1 1 4   12 20 f 12.66000 2.398000  -1.239000      4.797000  
1 1 1 4   13 0  o 55.42000 0.6118000 2.424000       1.224000  
1 1 1 4   13 1  o 105.0000 0.7940000 1.672000       1.588000  
1 1 1 4   13 2  o 77.45000 0.6582000 0.6231000      1.316000  
1 1 1 4   13 3  o 45.82000 0.6788000 -0.9260000     1.358000  
1 1 1 4   13 4  o 28.68000 1.038000  0.2612000      2.076000  
1 1 1 4   13 5  o 23.35000 1.198000  0.7926000      2.396000  
1 1 1 4   13 6  o 27.26000 1.410000  -3.574000      2.820000  
1 1 1 4   13 7  o 36.58000 0.8737000 -0.6938000     1.747000  
1 1 1 4   13 8  o 11.38000 2.364000  0.2104000      4.728000  
1 1 1 4   13 9  o 17.74000 1.715000  4.399000       3.430000  
1 1 1 4   13 10 o 25.88000 1.132000  -3.488000      2.264000  
1 1 1 4   13 11 o 9.477000 2.273000  -6.645000      4.545000  
1 1 1 4   13 12 o 20.73000 1.590000  3.099000       3.180000  
1 1 1 4   13 13 o 15.62000 1.967000  -2.316000      3.935000  
1 1 1 4   13 14 o 9.571000 2.429000  0.6341000      4.857000  
1 1 1 4   13 15 o 13.67000 2.304000  -5.181000      4.608000  
1 1 1 4   13 16 o 7.869000 2.204000  3.268000       4.409000  
1 1 1 4   13 17 o 6.525000 2.126000  -1.509000      4.253000  
1 1 1 4   13 18 o 8.169000 2.402000  -2.959000      4.804000  
1 1 1 4   13 19 o 7.706000 2.273000  1.689000       4.545000  
1 1 1 4   13 20 o 4.640000 2.321000  ?              ?         
1 1 1 4   14 0  o 56.63000 0.6204000 -0.8458000     1.241000  
1 1 1 4   14 1  o 38.93000 1.060000  -3.490000      2.120000  
1 1 1 4   14 2  o 9.342000 2.241000  0.5080000      4.482000  
1 1 1 4   14 3  o 27.22000 0.9961000 -1.341000      1.992000  
1 1 1 4   14 4  o 11.85000 2.245000  -3.201000      4.489000  
1 1 1 4   14 5  o 21.76000 1.314000  0.6668000      2.628000  
1 1 1 4   14 6  f 8.399000 2.277000  0.3920000      4.554000  
1 1 1 4   14 7  o 13.99000 2.063000  3.209000       4.126000  
1 1 1 4   14 8  o 26.60000 1.052000  -0.5653000     2.104000  
1 1 1 4   14 9  o 24.67000 1.182000  0.3424000      2.365000  
1 1 1 4   14 10 o 10.82000 2.306000  -3.591000      4.612000  
1 1 1 4   14 11 o 6.386000 2.033000  -0.7021000     4.066000  
1 1 1 4   14 12 f 11.35000 2.322000  -5.633000      4.643000  
1 1 1 4   14 13 o 8.756000 2.376000  1.779000       4.752000  
1 1 1 4   14 14 o 13.85000 2.300000  -3.780000      4.599000  
1 1 1 4   14 15 o 7.595000 2.248000  1.347000       4.495000  
1 1 1 4   14 16 o 8.978000 2.505000  -1.961000      5.011000  
1 1 1 4   14 17 o 16.41000 2.057000  -2.261000      4.113000  
1 1 1 4   14 18 o 18.92000 1.891000  -5.328000      3.782000  
1 1 1 4   14 19 o 15.92000 3.000000  ?              ?         
1 1 1 4   15 0  o 24.47000 1.017000  -0.9942000E-01 2.035000  
1 1 1 4   15 1  o 24.49000 1.082000  1.514000       2.163000  
1 1 1 4   15 2  o 28.72000 0.9173000 0.4225000      1.835000  
1 1 1 4   15 3  o 44.36000 0.6693000 1.996000       1.339000  
1 1 1 4   15 4  o 28.75000 0.9289000 -1.628000      1.858000  
1 1 1 4   15 5  o 36.31000 0.8043000 -0.3142000     1.609000  
1 1 1 4   15 6  o 6.915000 2.063000  -0.6058000     4.126000  
1 1 1 4   15 7  o 17.46000 1.605000  -1.723000      3.210000  
1 1 1 4   15 8  o 17.31000 1.664000  -0.5437000     3.327000  
1 1 1 4   15 9  o 34.19000 0.9014000 -2.919000      1.803000  
1 1 1 4   15 10 o 22.11000 1.319000  -2.046000      2.638000  
1 1 1 4   15 11 o 10.31000 2.367000  0.2089000      4.735000  
1 1 1 4   15 12 o 14.21000 2.131000  -3.259000      4.261000  
1 1 1 4   15 13 o 14.85000 2.188000  -2.072000      4.375000  
1 1 1 4   15 14 o 11.56000 2.367000  3.724000       4.734000  
1 1 1 4   15 15 o 8.106000 2.449000  -2.807000      4.898000  
1 1 1 4   15 16 o 7.070000 2.241000  -4.555000      4.481000  
1 1 1 4   15 17 o 9.877000 2.500000  1.810000       5.000000  
1 1 1 4   15 18 o 4.903000 2.446000  ?              ?         
1 1 1 4   16 0  o 7.175000 2.056000  -0.6719000     4.112000  
1 1 1 4   16 1  o 8.819000 2.213000  1.408000       4.425000  
1 1 1 4   16 2  o 25.10000 1.003000  -2.622000      2.007000  
1 1 1 4   16 3  o 31.99000 0.9824000 -1.093000      1.965000  
1 1 1 4   16 4  o 17.53000 1.542000  0.3009000      3.085000  
1 1 1 4   16 5  o 14.82000 1.997000  -4.181000      3.994000  
1 1 1 4   16 6  o 12.75000 2.140000  -4.469000      4.279000  
1 1 1 4   16 7  o 8.980000 2.308000  1.413000       4.617000  
1 1 1 4   16 8  o 21.46000 1.485000  -0.8682000E-01 2.969000  
1 1 1 4   16 9  o 18.75000 1.480000  0.3879000      2.960000  
1 1 1 4   16 10 o 10.19000 2.399000  -2.793000      4.797000  
1 1 1 4   16 11 o 14.67000 2.072000  -0.6838000     4.145000  
1 1 1 4   16 12 o 7.217000 2.157000  2.668000       4.314000  
1 1 1 4   16 13 o 9.209000 2.226000  5.590000       4.451000  
1 1 1 4   16 14 o 9.236000 2.475000  -0.3893000     4.951000  
1 1 1 4   16 15 o 6.103000 2.018000  0.8834000      4.036000  
1 1 1 4   16 16 f 7.080000 2.307000  -1.909000      4.613000  
1 1 1 4   16 17 o 7.360000 3.275000  ?              ?         
1 1 1 4   16 18 o 5.161000 2.614000  ?              ?         
1 1 1 4   17 0  o 21.32000 1.189000  -2.903000      2.379000  
1 1 1 4   17 1  o 10.10000 2.107000  4.810000       4.214000  
1 1 1 4   17 2  o 7.787000 2.163000  1.152000       4.325000  
1 1 1 4   17 3  o 15.67000 1.726000  -0.3551000     3.452000  
1 1 1 4   17 4  o 19.29000 1.443000  -3.249000      2.885000  
1 1 1 4   17 5  o 25.27000 1.130000  -1.711000      2.260000  
1 1 1 4   17 6  o 25.48000 1.145000  0.1069000      2.291000  
1 1 1 4   17 7  o 27.08000 1.122000  -1.266000      2.243000  
1 1 1 4   17 8  o 15.82000 1.772000  -1.124000      3.544000  
1 1 1 4   17 9  o 31.05000 1.026000  -0.4541000     2.051000  
1 1 1 4   17 10 o 19.39000 1.598000  -4.148000      3.196000  
1 1 1 4   17 11 o 11.51000 2.469000  0.9667000      4.939000  
1 1 1 4   17 12 o 10.85000 2.540000  -3.501000      5.079000  
1 1 1 4   17 13 o 7.965000 2.343000  0.7916000      4.685000  
1 1 1 4   17 14 o 10.77000 2.587000  0.6252000      5.174000  
1 1 1 4   17 15 o 6.451000 3.017000  ?              ?         
1 1 1 4   17 16 o 7.066000 3.205000  ?              ?         
1 1 1 4   17 17 o 5.901000 2.918000  ?              ?         
1 1 1 4   18 0  o 9.652000 2.227000  -3.344000      4.454000  
1 1 1 4   18 1  o 12.41000 2.184000  -2.081000      4.368000  
1 1 1 4   18 2  o 12.67000 2.193000  -3.411000      4.387000  
1 1 1 4   18 3  o 11.09000 2.313000  0.8649000E-01  4.625000  
1 1 1 4   18 4  o 6.534000 2.079000  -1.453000      4.158000  
1 1 1 4   18 5  o 7.518000 2.252000  -2.100000      4.505000  
1 1 1 4   18 6  o 10.97000 2.427000  -2.885000      4.854000  
1 1 1 4   18 7  o 14.25000 2.222000  1.208000       4.443000  
1 1 1 4   18 8  o 7.313000 2.268000  2.869000       4.535000  
1 1 1 4   18 9  f 9.448000 2.618000  -2.695000      5.236000  
1 1 1 4   18 10 o 9.518000 2.409000  -6.768000      4.818000  
1 1 1 4   18 11 o 9.213000 2.429000  -5.175000      4.857000  
1 1 1 4   18 12 o 8.960000 2.489000  -4.578000      4.978000  
1 1 1 4   18 13 o 7.427000 2.406000  -1.809000      4.812000  
1 1 1 4   18 14 o 11.60000 3.719000  ?              ?         
1 1 1 4   18 15 o 7.975000 3.488000  ?              ?         
1 1 1 4   19 0  o 9.609000 2.392000  -2.198000      4.784000  
1 1 1 4   19 1  o 5.906000 1.960000  -1.395000      3.921000  
1 1 1 4   19 2  o 7.240000 2.244000  0.5444000E-01  4.489000  
1 1 1 4   19 3  o 6.013000 2.010000  0.7288000      4.019000  
1 1 1 4   19 4  o 10.50000 2.518000  3.285000       5.036000  
1 1 1 4   19 5  o 9.521000 2.528000  1.460000       5.057000  
1 1 1 4   19 6  o 12.81000 2.520000  -1.905000      5.040000  
1 1 1 4   19 7  o 7.354000 2.281000  -1.462000      4.562000  
1 1 1 4   19 8  o 8.115000 2.453000  -0.7490000     4.907000  
1 1 1 4   19 9  o 12.08000 2.538000  -4.634000      5.076000  
1 1 1 4   19 10 o 12.64000 2.628000  -7.201000      5.256000  
1 1 1 4   19 11 o 6.943000 3.180000  ?              ?         
1 1 1 4   19 12 o 5.459000 2.691000  ?              ?         
1 1 1 4   20 0  o 10.45000 2.417000  -4.626000      4.834000  
1 1 1 4   20 1  o 6.335000 2.097000  0.1073000      4.195000  
1 1 1 4   20 2  o 8.901000 2.510000  -0.8073000     5.019000  
1 1 1 4   20 3  o 8.961000 2.439000  4.787000       4.879000  
1 1 1 4   20 4  o 8.080000 2.327000  -3.886000      4.653000  
1 1 1 4   20 5  o 7.242000 2.321000  0.7324000      4.642000  
1 1 1 4   20 6  o 6.939000 2.319000  0.2528000      4.637000  
1 1 1 4   20 7  o 6.887000 2.305000  -0.2782000     4.609000  
1 1 1 4   20 8  o 6.773000 2.348000  1.020000       4.697000  
1 1 1 4   20 9  o 6.851000 2.373000  -1.080000      4.746000  
1 1 1 4   21 1  o 7.592000 2.504000  3.860000       5.008000  
1 1 1 4   21 2  o 5.650000 2.011000  0.5979000      4.022000  
1 1 1 4   21 3  o 7.348000 2.471000  2.439000       4.942000  
1 1 1 4   21 4  o 6.374000 2.238000  -0.2746000     4.476000  
1 1 1 5   0  0  o 84.75000 0.8694000 0.000000       0.000000  
1 1 1 5   0  1  o 180.4000 1.797000  0.000000       0.000000  
1 1 1 5   0  2  o 68.16000 0.7323000 0.000000       0.000000  
1 1 1 5   0  3  o 24.59000 0.7647000 0.000000       0.000000  
1 1 1 5   0  4  f 119.3000 1.206000  0.000000       0.000000  
1 1 1 5   0  5  o 87.81000 0.9213000 0.000000       0.000000  
1 1 1 5   0  6  o 25.48000 0.8871000 0.000000       0.000000  
1 1 1 5   0  7  o 21.40000 1.178000  0.000000       0.000000  
1 1 1 5   0  8  o 3.672000 2.496000  0.000000       0.000000  
1 1 1 5   0  9  o 6.724000 3.337000  0.000000       0.000000  
1 1 1 5   0  10 o 29.21000 1.117000  0.000000       0.000000  
1 1 1 5   0  11 o 17.27000 1.934000  0.000000       0.000000  
1 1 1 5   0  13 o 22.40000 1.726000  0.000000       0.000000  
1 1 1 5   0  14 o 153.5000 1.571000  0.000000       0.000000  
1 1 1 5   0  15 o 112.1000 1.210000  0.000000       0.000000  
1 1 1 5   0  16 o 120.3000 1.293000  0.000000       0.000000  
1 1 1 5   0  17 o 98.13000 1.146000  0.000000       0.000000  
1 1 1 5   0  18 o 197.2000 1.997000  0.000000       0.000000  
1 1 1 5   0  19 o 194.0000 1.969000  0.000000       0.000000  
1 1 1 5   0  20 o 24.46000 1.988000  0.000000       0.000000  
1 1 1 5   0  21 o 11.66000 4.302000  0.000000       0.000000  
1 1 1 5   0  22 o 4.864000 3.263000  0.000000       0.000000  
1 1 1 5   0  23 o 30.80000 1.503000  0.000000       0.000000  
1 1 1 5   1  0  o 57.01000 0.4456000 -0.1478000E-01 0.8912000 
1 1 1 5   1  1  o 168.3000 1.186000  3.350000       2.373000  
1 1 1 5   1  2  o 137.4000 0.9736000 -0.7471000     1.947000  
1 1 1 5   1  3  o 182.4000 1.285000  3.420000       2.571000  
1 1 1 5   1  4  o 86.96000 0.6407000 -0.3663000     1.281000  
1 1 1 5   1  5  o 162.0000 1.146000  5.654000       2.291000  
1 1 1 5   1  6  o 107.2000 0.9593000 -4.158000      1.919000  
1 1 1 5   1  7  o 21.22000 0.8730000 -1.554000      1.746000  
1 1 1 5   1  8  o 87.63000 0.6790000 -1.696000      1.358000  
1 1 1 5   1  9  o 59.57000 0.5722000 0.2255000      1.144000  
1 1 1 5   1  10 o 51.47000 0.5858000 2.474000       1.172000  
1 1 1 5   1  11 o 43.20000 0.6532000 3.477000       1.306000  
1 1 1 5   1  12 o 106.4000 0.8043000 0.9884000      1.609000  
1 1 1 5   1  13 o 136.9000 0.9983000 -0.4555000     1.997000  
1 1 1 5   1  14 o 259.9000 1.839000  0.8610000      3.679000  
1 1 1 5   1  15 o 181.1000 1.299000  4.238000       2.598000  
1 1 1 5   1  16 f 88.38000 0.7571000 -0.9063000     1.514000  
1 1 1 5   1  17 o 68.16000 0.7331000 0.5544000      1.466000  
1 1 1 5   1  18 o 134.5000 1.003000  -4.045000      2.006000  
1 1 1 5   1  19 o 128.3000 0.9689000 0.2538000      1.938000  
1 1 1 5   1  20 o 57.28000 0.7468000 0.3742000      1.494000  
1 1 1 5   1  21 o 36.08000 0.9499000 -0.4456000     1.900000  
1 1 1 5   1  22 o 21.85000 1.509000  -4.295000      3.018000  
1 1 1 5   1  23 o 12.13000 2.271000  -5.714000      4.541000  
1 1 1 5   2  0  o 63.91000 0.4836000 -0.2431000     0.9672000 
1 1 1 5   2  1  f 56.25000 0.4504000 -0.1065000E-01 0.9007000 
1 1 1 5   2  2  o 146.1000 1.034000  0.6428000      2.068000  
1 1 1 5   2  3  o 76.23000 0.5721000 -1.527000      1.144000  
1 1 1 5   2  4  o 59.62000 0.4893000 0.6171000E-01  0.9787000 
1 1 1 5   2  5  o 37.83000 0.4700000 2.111000       0.9399000 
1 1 1 5   2  6  o 50.31000 0.5103000 -1.154000      1.021000  
1 1 1 5   2  7  o 11.18000 1.681000  -4.629000      3.363000  
1 1 1 5   2  8  o 9.984000 1.906000  3.071000       3.812000  
1 1 1 5   2  9  o 8.693000 2.017000  2.345000       4.034000  
1 1 1 5   2  10 o 29.46000 0.7957000 -2.223000      1.591000  
1 1 1 5   2  11 o 14.36000 1.827000  -7.449000      3.653000  
1 1 1 5   2  12 o 7.811000 2.137000  -1.907000      4.274000  
1 1 1 5   2  13 o 72.03000 0.6601000 -1.331000      1.320000  
1 1 1 5   2  14 o 65.45000 0.6560000 0.5181000      1.312000  
1 1 1 5   2  15 o 106.4000 0.8272000 0.3377000      1.654000  
1 1 1 5   2  16 o 13.62000 2.302000  3.452000       4.604000  
1 1 1 5   2  17 o 80.35000 0.7390000 -0.5882000E-01 1.478000  
1 1 1 5   2  18 o 111.7000 0.8709000 1.717000       1.742000  
1 1 1 5   2  19 o 149.6000 1.103000  1.555000       2.205000  
1 1 1 5   2  20 o 74.07000 0.7196000 -2.179000      1.439000  
1 1 1 5   2  21 o 55.97000 0.7385000 0.1388000      1.477000  
1 1 1 5   2  22 o 36.39000 0.9405000 -0.9015000     1.881000  
1 1 1 5   2  23 o 20.11000 1.567000  -0.6749000E-01 3.134000  
1 1 1 5   3  0  o 53.44000 0.4253000 0.7638000      0.8506000 
1 1 1 5   3  1  o 115.5000 0.8228000 0.8863000      1.646000  
1 1 1 5   3  2  o 121.5000 0.8662000 -1.653000      1.732000  
1 1 1 5   3  3  o 62.40000 0.5978000 0.3966000      1.196000  
1 1 1 5   3  4  o 143.8000 1.022000  -2.617000      2.043000  
1 1 1 5   3  5  o 80.48000 0.6155000 -1.778000      1.231000  
1 1 1 5   3  6  o 89.75000 0.6749000 0.2977000      1.350000  
1 1 1 5   3  7  o 102.9000 0.7603000 -0.3057000     1.521000  
1 1 1 5   3  8  o 67.76000 0.5898000 0.4349000      1.180000  
1 1 1 5   3  9  o 38.63000 0.6493000 1.935000       1.299000  
1 1 1 5   3  10 o 25.53000 0.9419000 -2.005000      1.884000  
1 1 1 5   3  11 f 53.99000 0.6230000 0.9255000      1.246000  
1 1 1 5   3  12 o 64.72000 0.7700000 1.672000       1.540000  
1 1 1 5   3  13 o 90.83000 0.7342000 0.3845000      1.468000  
1 1 1 5   3  14 o 119.3000 0.8942000 1.895000       1.788000  
1 1 1 5   3  15 o 61.90000 0.6854000 0.8557000      1.371000  
1 1 1 5   3  16 o 88.22000 0.7587000 -2.568000      1.517000  
1 1 1 5   3  17 o 27.21000 1.260000  0.3938000      2.519000  
1 1 1 5   3  18 o 108.8000 0.8589000 0.6838000      1.718000  
1 1 1 5   3  19 o 113.9000 0.8853000 2.859000       1.771000  
1 1 1 5   3  20 o 71.50000 0.7191000 1.037000       1.438000  
1 1 1 5   3  21 o 12.07000 2.458000  -1.836000      4.915000  
1 1 1 5   3  22 o 14.80000 2.096000  1.691000       4.192000  
1 1 1 5   3  23 o 6.229000 2.028000  1.368000       4.055000  
1 1 1 5   4  0  o 16.60000 0.6019000 2.238000       1.204000  
1 1 1 5   4  1  o 163.9000 1.158000  0.7162000      2.316000  
1 1 1 5   4  2  o 58.43000 0.4722000 -1.383000      0.9444000 
1 1 1 5   4  3  o 49.47000 0.4609000 -1.168000      0.9219000 
1 1 1 5   4  4  o 40.31000 0.5037000 -0.4880000     1.007000  
1 1 1 5   4  5  o 57.07000 0.5148000 1.671000       1.030000  
1 1 1 5   4  6  o 70.74000 0.5786000 1.349000       1.157000  
1 1 1 5   4  7  o 66.07000 0.7037000 2.719000       1.407000  
1 1 1 5   4  8  o 50.97000 0.5582000 0.3343000      1.116000  
1 1 1 5   4  9  o 23.95000 0.9244000 -1.116000      1.849000  
1 1 1 5   4  10 o 24.93000 0.9573000 1.044000       1.915000  
1 1 1 5   4  11 o 63.70000 0.6134000 -1.712000      1.227000  
1 1 1 5   4  12 o 40.32000 0.7346000 -0.1931000     1.469000  
1 1 1 5   4  13 o 70.27000 0.6665000 -0.5717000     1.333000  
1 1 1 5   4  14 o 70.90000 0.6889000 -0.2077000     1.378000  
1 1 1 5   4  15 o 52.38000 0.7269000 1.119000       1.454000  
1 1 1 5   4  16 f 102.2000 0.8153000 -0.1456000     1.631000  
1 1 1 5   4  17 o 42.28000 0.8687000 0.4982000      1.737000  
1 1 1 5   4  18 o 94.73000 0.7968000 0.7355000      1.594000  
1 1 1 5   4  19 o 143.3000 1.063000  2.057000       2.126000  
1 1 1 5   4  20 o 35.78000 0.9587000 0.8541000      1.917000  
1 1 1 5   4  21 o 46.25000 0.7793000 2.451000       1.559000  
1 1 1 5   4  22 o 28.50000 1.123000  0.6124000      2.247000  
1 1 1 5   4  23 o 7.647000 2.164000  -4.144000      4.329000  
1 1 1 5   5  0  o 16.42000 0.6317000 -0.3016000     1.263000  
1 1 1 5   5  1  o 39.18000 0.4206000 0.3266000      0.8411000 
1 1 1 5   5  2  o 154.4000 1.095000  -1.986000      2.189000  
1 1 1 5   5  3  o 147.8000 1.051000  2.994000       2.101000  
1 1 1 5   5  4  o 63.81000 0.6721000 0.6325000      1.344000  
1 1 1 5   5  5  o 72.27000 0.7073000 0.8072000      1.415000  
1 1 1 5   5  6  o 136.5000 1.202000  -0.3399000     2.404000  
1 1 1 5   5  7  o 103.5000 0.7688000 -2.332000      1.538000  
1 1 1 5   5  8  o 204.6000 1.447000  2.707000       2.894000  
1 1 1 5   5  9  o 191.2000 1.356000  -3.459000      2.711000  
1 1 1 5   5  10 o 157.4000 1.128000  3.901000       2.255000  
1 1 1 5   5  11 o 105.7000 0.7998000 1.669000       1.600000  
1 1 1 5   5  12 o 144.6000 1.050000  -0.8133000     2.100000  
1 1 1 5   5  13 o 183.1000 1.310000  -1.279000      2.620000  
1 1 1 5   5  14 o 164.0000 1.185000  1.283000       2.370000  
1 1 1 5   5  15 o 196.2000 1.404000  1.953000       2.808000  
1 1 1 5   5  16 o 103.4000 0.8234000 -0.4584000E-01 1.647000  
1 1 1 5   5  17 o 54.15000 0.7725000 -0.5434000     1.545000  
1 1 1 5   5  18 o 14.50000 2.258000  1.119000       4.516000  
1 1 1 5   5  19 o 61.19000 0.7156000 -1.904000      1.431000  
1 1 1 5   5  20 o 9.357000 2.455000  2.306000       4.910000  
1 1 1 5   5  21 o 28.92000 1.081000  -1.412000      2.163000  
1 1 1 5   5  22 o 19.26000 1.651000  5.289000       3.301000  
1 1 1 5   5  23 o 8.728000 2.527000  0.3398000      5.053000  
1 1 1 5   6  0  o 146.5000 1.198000  3.842000       2.396000  
1 1 1 5   6  1  o 65.85000 0.6108000 2.084000       1.222000  
1 1 1 5   6  2  o 83.97000 0.6293000 1.345000       1.259000  
1 1 1 5   6  3  o 149.9000 1.066000  -0.7061000     2.132000  
1 1 1 5   6  4  o 26.64000 0.6619000 3.067000       1.324000  
1 1 1 5   6  5  o 45.82000 0.5356000 -1.503000      1.071000  
1 1 1 5   6  6  o 105.1000 0.9595000 1.211000       1.919000  
1 1 1 5   6  7  o 31.21000 0.7354000 -1.385000      1.471000  
1 1 1 5   6  8  o 20.18000 1.130000  -2.187000      2.260000  
1 1 1 5   6  9  o 70.92000 0.6302000 -0.3625000     1.260000  
1 1 1 5   6  10 o 28.87000 1.202000  -0.4934000     2.403000  
1 1 1 5   6  11 o 8.745000 2.267000  0.9863000      4.535000  
1 1 1 5   6  12 o 56.44000 0.6728000 -2.149000      1.346000  
1 1 1 5   6  13 o 43.41000 0.7865000 -3.254000      1.573000  
1 1 1 5   6  14 o 72.19000 0.7035000 0.4489000      1.407000  
1 1 1 5   6  15 o 108.6000 0.8505000 -0.6498000E-01 1.701000  
1 1 1 5   6  16 o 114.9000 0.8881000 0.9920000      1.776000  
1 1 1 5   6  17 o 96.47000 0.8013000 -0.2527000     1.603000  
1 1 1 5   6  18 o 80.78000 0.7407000 -0.6933000     1.481000  
1 1 1 5   6  19 o 31.44000 1.073000  1.234000       2.146000  
1 1 1 5   6  20 o 10.34000 2.425000  3.047000       4.850000  
1 1 1 5   6  21 o 39.73000 0.8744000 -2.572000      1.749000  
1 1 1 5   6  22 o 25.78000 1.173000  -2.822000      2.346000  
1 1 1 5   6  23 o 13.24000 4.122000  ?              ?         
1 1 1 5   7  0  o 206.9000 1.687000  0.7928000      3.374000  
1 1 1 5   7  1  o 102.4000 0.8616000 0.3188000      1.723000  
1 1 1 5   7  2  o 88.51000 0.7617000 1.253000       1.523000  
1 1 1 5   7  3  o 171.6000 1.401000  2.103000       2.801000  
1 1 1 5   7  4  o 48.27000 0.6233000 0.8800000      1.247000  
1 1 1 5   7  5  o 103.0000 0.7619000 0.6456000      1.524000  
1 1 1 5   7  6  o 41.81000 0.6044000 2.383000       1.209000  
1 1 1 5   7  7  o 48.58000 0.5909000 0.3406000      1.182000  
1 1 1 5   7  8  o 38.44000 0.6938000 0.9476000      1.388000  
1 1 1 5   7  9  o 26.56000 0.9412000 -2.129000      1.882000  
1 1 1 5   7  10 o 34.87000 0.8104000 0.7673000      1.621000  
1 1 1 5   7  11 o 157.3000 1.135000  0.8032000E-01  2.269000  
1 1 1 5   7  12 o 146.3000 1.065000  1.332000       2.130000  
1 1 1 5   7  13 o 151.0000 1.100000  2.467000       2.199000  
1 1 1 5   7  14 o 93.94000 0.7780000 0.3081000E-01  1.556000  
1 1 1 5   7  15 o 118.2000 0.9075000 -1.484000      1.815000  
1 1 1 5   7  16 o 153.9000 1.592000  -1.291000      3.184000  
1 1 1 5   7  17 o 84.63000 0.7638000 2.055000       1.528000  
1 1 1 5   7  18 o 23.93000 1.363000  0.4995000      2.726000  
1 1 1 5   7  19 o 25.68000 1.229000  0.9420000      2.458000  
1 1 1 5   7  20 o 8.735000 2.352000  2.273000       4.704000  
1 1 1 5   7  21 o 21.82000 1.479000  -0.1922000     2.958000  
1 1 1 5   7  22 o 12.08000 2.331000  2.885000       4.663000  
1 1 1 5   8  0  f 102.7000 0.8710000 0.3846000      1.742000  
1 1 1 5   8  1  o 164.3000 1.347000  0.2940000      2.695000  
1 1 1 5   8  2  o 83.10000 0.7287000 0.5121000      1.457000  
1 1 1 5   8  3  o 42.31000 0.5942000 -0.1849000E-01 1.188000  
1 1 1 5   8  4  o 56.98000 0.5994000 0.6235000      1.199000  
1 1 1 5   8  5  o 61.72000 0.6340000 -0.2651000     1.268000  
1 1 1 5   8  6  o 30.08000 0.7863000 -3.157000      1.573000  
1 1 1 5   8  7  o 58.26000 0.6021000 1.399000       1.204000  
1 1 1 5   8  8  o 68.52000 0.6316000 0.1508000E-01  1.263000  
1 1 1 5   8  9  o 52.50000 0.6536000 1.162000       1.307000  
1 1 1 5   8  10 o 22.32000 1.336000  -5.342000      2.671000  
1 1 1 5   8  11 f 57.71000 0.6804000 -0.1752000     1.361000  
1 1 1 5   8  12 o 23.27000 1.400000  -1.775000      2.800000  
1 1 1 5   8  13 f 49.55000 0.7768000 -0.8779000     1.554000  
1 1 1 5   8  14 o 48.21000 0.8104000 -0.4271000     1.621000  
1 1 1 5   8  15 o 142.9000 1.058000  0.9026000      2.115000  
1 1 1 5   8  16 o 109.6000 0.8632000 -0.4845000E-01 1.726000  
1 1 1 5   8  17 o 10.88000 2.442000  -3.601000      4.885000  
1 1 1 5   8  18 o 23.47000 1.434000  4.458000       2.867000  
1 1 1 5   8  19 o 8.645000 2.393000  2.448000       4.786000  
1 1 1 5   8  20 o 12.20000 2.429000  -1.730000      4.859000  
1 1 1 5   8  21 o 38.25000 0.8882000 -2.048000      1.776000  
1 1 1 5   8  22 o 18.23000 3.158000  4.860000       6.316000  
1 1 1 5   9  0  o 36.94000 0.5663000 0.1984000      1.133000  
1 1 1 5   9  1  o 116.5000 0.9779000 1.161000       1.956000  
1 1 1 5   9  2  o 95.47000 0.8173000 2.599000       1.635000  
1 1 1 5   9  3  o 37.77000 0.6441000 -0.4197000     1.288000  
1 1 1 5   9  4  o 110.2000 0.9933000 -0.4690000     1.987000  
1 1 1 5   9  5  o 80.78000 0.7350000 0.5517000      1.470000  
1 1 1 5   9  6  o 72.30000 0.7017000 0.9874000      1.403000  
1 1 1 5   9  7  o 114.2000 0.9785000 -1.129000      1.957000  
1 1 1 5   9  8  o 89.51000 0.8779000 1.262000       1.756000  
1 1 1 5   9  9  o 97.44000 0.7701000 -0.2851000     1.540000  
1 1 1 5   9  10 o 57.51000 0.6784000 -1.101000      1.357000  
1 1 1 5   9  11 o 10.20000 2.361000  4.877000       4.721000  
1 1 1 5   9  12 o 57.14000 0.7426000 0.9406000      1.485000  
1 1 1 5   9  13 o 86.55000 0.7576000 -1.295000      1.515000  
1 1 1 5   9  14 o 36.20000 0.9764000 2.603000       1.953000  
1 1 1 5   9  15 o 115.7000 0.8980000 0.9629000      1.796000  
1 1 1 5   9  16 o 58.58000 0.7357000 0.6686000      1.471000  
1 1 1 5   9  17 o 30.28000 1.141000  -3.979000      2.283000  
1 1 1 5   9  18 o 30.63000 1.107000  -0.3369000     2.214000  
1 1 1 5   9  19 o 8.848000 2.375000  -3.399000      4.750000  
1 1 1 5   9  20 o 12.81000 2.380000  0.6585000      4.760000  
1 1 1 5   9  21 o 15.41000 2.145000  -4.938000      4.290000  
1 1 1 5   9  22 o 13.96000 4.083000  ?              ?         
1 1 1 5   10 0  f 129.8000 0.9368000 1.439000       1.874000  
1 1 1 5   10 1  o 136.8000 0.9853000 2.540000       1.971000  
1 1 1 5   10 2  o 60.11000 0.6629000 1.684000       1.326000  
1 1 1 5   10 3  o 73.00000 0.7400000 4.312000       1.480000  
1 1 1 5   10 4  o 31.57000 0.7858000 -1.467000      1.572000  
1 1 1 5   10 5  o 41.54000 0.6913000 -2.537000      1.383000  
1 1 1 5   10 6  o 27.01000 0.9230000 -2.726000      1.846000  
1 1 1 5   10 7  o 45.35000 0.6994000 0.8783000      1.399000  
1 1 1 5   10 8  o 38.98000 0.8338000 -1.424000      1.668000  
1 1 1 5   10 9  o 48.86000 0.7691000 -0.6171000     1.538000  
1 1 1 5   10 10 o 16.86000 2.006000  -0.7491000E-01 4.013000  
1 1 1 5   10 11 o 23.44000 1.410000  -3.674000      2.819000  
1 1 1 5   10 12 o 27.82000 1.249000  -1.889000      2.498000  
1 1 1 5   10 13 o 63.29000 0.7244000 -0.6852000     1.449000  
1 1 1 5   10 14 o 17.25000 2.062000  -6.642000      4.124000  
1 1 1 5   10 15 o 10.55000 2.407000  -4.054000      4.814000  
1 1 1 5   10 16 o 8.494000 2.354000  -3.765000      4.708000  
1 1 1 5   10 17 o 7.880000 2.254000  -4.328000      4.509000  
1 1 1 5   10 18 o 13.55000 2.230000  -5.184000      4.460000  
1 1 1 5   10 19 o 16.62000 1.893000  2.710000       3.786000  
1 1 1 5   10 20 o 10.41000 2.204000  -6.940000      4.409000  
1 1 1 5   10 21 o 10.55000 2.826000  -3.469000      5.653000  
1 1 1 5   11 0  o 48.87000 0.5755000 -0.8361000     1.151000  
1 1 1 5   11 1  o 73.77000 0.6238000 1.484000       1.248000  
1 1 1 5   11 2  o 45.41000 0.6208000 0.1261000E-01  1.242000  
1 1 1 5   11 3  o 62.69000 0.7053000 ?              ?         
1 1 1 5   11 4  o 32.87000 0.8179000 -1.347000      1.636000  
1 1 1 5   11 5  o 23.30000 1.096000  -1.438000      2.192000  
1 1 1 5   11 6  o 41.26000 0.8213000 -3.988000      1.643000  
1 1 1 5   11 7  o 30.53000 0.9464000 0.2811000      1.893000  
1 1 1 5   11 8  o 71.28000 0.7294000 1.363000       1.459000  
1 1 1 5   11 9  o 70.51000 0.7671000 0.8591000      1.534000  
1 1 1 5   11 10 o 44.23000 0.8659000 2.249000       1.732000  
1 1 1 5   11 11 f 43.71000 0.8427000 -1.518000      1.685000  
1 1 1 5   11 12 o 16.88000 1.966000  -4.343000      3.932000  
1 1 1 5   11 13 o 32.33000 1.048000  -0.1447000     2.096000  
1 1 1 5   11 14 o 8.397000 2.398000  -0.2630000     4.797000  
1 1 1 5   11 15 o 13.76000 2.133000  -4.760000      4.266000  
1 1 1 5   11 16 o 20.29000 1.589000  -1.917000      3.178000  
1 1 1 5   11 17 o 7.544000 2.302000  1.322000       4.604000  
1 1 1 5   11 18 o 9.651000 2.400000  -4.080000      4.801000  
1 1 1 5   11 19 f 9.747000 2.388000  4.964000       4.777000  
1 1 1 5   11 20 o 17.65000 2.297000  6.469000       4.594000  
1 1 1 5   11 21 o 8.324000 2.600000  0.3450000      5.200000  
1 1 1 5   12 0  o 37.77000 1.034000  -2.479000      2.067000  
1 1 1 5   12 1  o 41.52000 0.6614000 1.474000       1.323000  
1 1 1 5   12 2  o 49.27000 0.6353000 -2.003000      1.271000  
1 1 1 5   12 3  o 46.51000 0.6705000 -0.9438000     1.341000  
1 1 1 5   12 4  o 35.08000 0.8146000 1.605000       1.629000  
1 1 1 5   12 5  o 27.73000 1.038000  3.140000       2.075000  
1 1 1 5   12 6  o 18.34000 1.548000  -2.954000      3.096000  
1 1 1 5   12 7  o 49.19000 0.7166000 0.3103000      1.433000  
1 1 1 5   12 8  o 26.32000 1.125000  -2.968000      2.250000  
1 1 1 5   12 9  o 20.83000 1.403000  2.956000       2.805000  
1 1 1 5   12 10 o 10.69000 2.348000  -5.110000      4.695000  
1 1 1 5   12 11 o 23.66000 1.379000  -3.069000      2.758000  
1 1 1 5   12 12 o 10.28000 2.485000  -2.735000      4.970000  
1 1 1 5   12 13 o 16.67000 1.842000  -3.761000      3.685000  
1 1 1 5   12 14 o 6.609000 2.111000  -2.300000      4.222000  
1 1 1 5   12 15 o 10.89000 2.507000  -4.272000      5.013000  
1 1 1 5   12 16 o 19.13000 2.887000  ?              ?         
1 1 1 5   12 17 o 5.974000 1.991000  0.8754000      3.982000  
1 1 1 5   12 18 o 9.978000 2.506000  1.414000       5.013000  
1 1 1 5   12 19 f 6.697000 2.210000  1.416000       4.421000  
1 1 1 5   12 20 o 7.036000 2.334000  0.8271000      4.668000  
1 1 1 5   13 0  f 46.37000 0.6363000 -0.5339000     1.273000  
1 1 1 5   13 1  o 83.60000 0.6835000 0.6811000      1.367000  
1 1 1 5   13 2  o 37.07000 0.7640000 -0.4555000     1.528000  
1 1 1 5   13 3  o 42.01000 0.7288000 -1.055000      1.458000  
1 1 1 5   13 4  o 11.59000 2.239000  3.406000       4.479000  
1 1 1 5   13 5  o 17.75000 1.581000  -1.868000      3.162000  
1 1 1 5   13 6  o 39.17000 0.8096000 -1.766000      1.619000  
1 1 1 5   13 7  o 12.79000 2.118000  -0.8437000     4.236000  
1 1 1 5   13 8  f 14.92000 1.931000  -4.390000      3.862000  
1 1 1 5   13 9  o 22.01000 1.278000  -1.623000      2.556000  
1 1 1 5   13 10 o 33.39000 0.8555000 -1.223000      1.711000  
1 1 1 5   13 11 o 19.10000 1.840000  -4.177000      3.679000  
1 1 1 5   13 12 o 26.45000 1.421000  ?              ?         
1 1 1 5   13 13 o 35.01000 0.9773000 2.163000       1.955000  
1 1 1 5   13 14 o 25.64000 1.262000  -0.5839000E-01 2.524000  
1 1 1 5   13 15 o 26.15000 1.217000  1.852000       2.434000  
1 1 1 5   13 16 o 19.60000 1.674000  -5.218000      3.347000  
1 1 1 5   13 17 o 17.14000 1.947000  -1.998000      3.894000  
1 1 1 5   13 18 o 9.462000 2.630000  0.2261000      5.260000  
1 1 1 5   13 19 o 9.070000 3.501000  ?              ?         
1 1 1 5   13 20 o 5.882000 2.888000  ?              ?         
1 1 1 5   14 0  o 24.51000 1.036000  -1.746000      2.071000  
1 1 1 5   14 1  o 43.77000 0.6626000 0.5836000      1.325000  
1 1 1 5   14 2  o 57.58000 0.6232000 -0.3921000     1.246000  
1 1 1 5   14 3  o 49.31000 0.6640000 -0.1432000     1.328000  
1 1 1 5   14 4  o 51.19000 0.6852000 0.5752000      1.370000  
1 1 1 5   14 5  o 25.83000 1.073000  -2.198000      2.147000  
1 1 1 5   14 6  o 29.22000 1.065000  0.5513000      2.131000  
1 1 1 5   14 7  o 22.85000 1.636000  ?              ?         
1 1 1 5   14 8  o 16.36000 1.849000  4.929000       3.698000  
1 1 1 5   14 9  o 12.37000 2.166000  5.666000       4.332000  
1 1 1 5   14 10 f 10.43000 2.355000  1.682000       4.710000  
1 1 1 5   14 11 o 12.18000 2.118000  -7.998000      4.237000  
1 1 1 5   14 12 o 13.61000 2.246000  2.494000       4.492000  
1 1 1 5   14 13 o 11.58000 2.493000  -2.673000      4.986000  
1 1 1 5   14 14 f 8.730000 2.400000  1.247000       4.800000  
1 1 1 5   14 15 o 6.957000 2.230000  -2.160000      4.460000  
1 1 1 5   14 16 o 13.28000 2.450000  -2.487000      4.901000  
1 1 1 5   14 17 o 7.396000 2.347000  -3.745000      4.695000  
1 1 1 5   14 18 o 6.956000 3.113000  ?              ?         
1 1 1 5   14 19 o 5.833000 2.792000  ?              ?         
1 1 1 5   15 0  o 40.94000 0.7049000 -1.823000      1.410000  
1 1 1 5   15 1  o 26.52000 1.200000  -4.792000      2.400000  
1 1 1 5   15 2  o 33.67000 0.8209000 1.130000       1.642000  
1 1 1 5   15 3  f 33.78000 0.7956000 1.075000       1.591000  
1 1 1 5   15 4  o 19.84000 1.446000  -6.051000      2.891000  
1 1 1 5   15 5  o 17.42000 1.679000  -3.981000      3.359000  
1 1 1 5   15 6  o 10.66000 2.283000  -1.712000      4.567000  
1 1 1 5   15 7  o 34.93000 0.8546000 -0.1567000     1.709000  
1 1 1 5   15 8  o 8.014000 2.240000  2.020000       4.480000  
1 1 1 5   15 9  o 9.702000 2.360000  1.403000       4.720000  
1 1 1 5   15 10 o 8.647000 2.351000  -1.427000      4.702000  
1 1 1 5   15 11 o 10.88000 2.511000  0.6998000      5.022000  
1 1 1 5   15 12 o 8.052000 2.297000  -2.007000      4.594000  
1 1 1 5   15 13 o 25.79000 1.213000  -1.300000      2.426000  
1 1 1 5   15 14 o 16.48000 2.174000  3.157000       4.348000  
1 1 1 5   15 15 o 20.25000 1.777000  1.056000       3.554000  
1 1 1 5   15 16 o 9.676000 2.632000  -1.387000      5.264000  
1 1 1 5   15 17 o 7.193000 3.240000  ?              ?         
1 1 1 5   15 18 o 6.515000 3.020000  ?              ?         
1 1 1 5   16 0  o 8.892000 2.200000  0.7696000      4.400000  
1 1 1 5   16 1  o 10.33000 2.206000  0.3413000      4.412000  
1 1 1 5   16 2  o 23.81000 1.059000  -0.5535000     2.118000  
1 1 1 5   16 3  o 12.75000 2.011000  -1.171000      4.022000  
1 1 1 5   16 4  o 6.510000 2.022000  -1.111000      4.043000  
1 1 1 5   16 5  o 21.26000 1.333000  -3.901000      2.666000  
1 1 1 5   16 6  o 18.61000 1.522000  2.739000       3.044000  
1 1 1 5   16 7  o 17.02000 1.648000  1.283000       3.297000  
1 1 1 5   16 8  o 8.507000 2.319000  -1.190000      4.638000  
1 1 1 5   16 9  o 11.26000 2.325000  -4.077000      4.649000  
1 1 1 5   16 10 o 7.099000 2.117000  -4.623000      4.234000  
1 1 1 5   16 11 o 6.785000 2.117000  1.576000       4.235000  
1 1 1 5   16 12 o 7.408000 2.221000  0.7272000      4.441000  
1 1 1 5   16 13 o 7.494000 2.284000  -0.7058000     4.567000  
1 1 1 5   16 14 o 6.241000 2.077000  -0.7666000     4.154000  
1 1 1 5   16 15 o 7.740000 3.372000  ?              ?         
1 1 1 5   16 16 o 7.331000 3.248000  ?              ?         
1 1 1 5   16 17 o 7.030000 3.184000  ?              ?         
1 1 1 5   16 18 o 6.451000 3.157000  ?              ?         
1 1 1 5   17 0  o 22.28000 1.157000  0.8605000      2.313000  
1 1 1 5   17 1  o 5.732000 1.848000  -2.547000      3.697000  
1 1 1 5   17 2  o 17.85000 1.443000  -2.387000      2.886000  
1 1 1 5   17 3  o 12.96000 2.012000  3.392000       4.023000  
1 1 1 5   17 4  o 7.443000 2.157000  3.320000       4.315000  
1 1 1 5   17 5  o 22.54000 1.738000  -1.835000      3.476000  
1 1 1 5   17 6  o 16.68000 1.786000  0.4909000      3.572000  
1 1 1 5   17 7  o 24.54000 1.248000  -1.847000      2.496000  
1 1 1 5   17 8  o 10.28000 2.423000  1.467000       4.846000  
1 1 1 5   17 9  o 7.558000 2.273000  0.7551000      4.547000  
1 1 1 5   17 10 o 12.86000 2.435000  -4.204000      4.870000  
1 1 1 5   17 11 o 13.43000 2.473000  -2.851000      4.946000  
1 1 1 5   17 12 o 15.17000 2.151000  0.7769000      4.303000  
1 1 1 5   17 13 o 14.25000 3.494000  ?              ?         
1 1 1 5   17 14 o 6.066000 2.892000  ?              ?         
1 1 1 5   17 15 o 4.387000 2.225000  ?              ?         
1 1 1 5   17 16 o 11.24000 3.718000  ?              ?         
1 1 1 5   18 0  o 6.218000 1.970000  -2.313000      3.939000  
1 1 1 5   18 1  o 9.077000 2.297000  2.220000       4.594000  
1 1 1 5   18 2  o 11.45000 2.369000  -0.7651000     4.738000  
1 1 1 5   18 3  o 9.538000 2.282000  -3.440000      4.565000  
1 1 1 5   18 4  o 10.68000 2.445000  2.807000       4.889000  
1 1 1 5   18 5  o 5.728000 1.930000  -0.1966000     3.859000  
1 1 1 5   18 6  o 20.27000 1.598000  2.448000       3.195000  
1 1 1 5   18 7  o 20.70000 1.649000  5.406000       3.298000  
1 1 1 5   18 8  o 9.779000 2.556000  -0.8846000     5.112000  
1 1 1 5   18 9  o 12.23000 2.529000  0.2530000      5.058000  
1 1 1 5   18 10 o 15.18000 2.348000  -10.03000      4.697000  
1 1 1 5   18 11 o 9.875000 3.694000  ?              ?         
1 1 1 5   18 12 o 7.080000 3.226000  ?              ?         
1 1 1 5   18 13 o 7.247000 3.295000  ?              ?         
1 1 1 5   18 14 o 6.385000 3.030000  ?              ?         
1 1 1 5   19 0  o 7.089000 2.182000  -1.210000      4.364000  
1 1 1 5   19 1  o 15.10000 2.121000  -4.092000      4.241000  
1 1 1 5   19 2  o 9.414000 2.372000  -3.846000      4.744000  
1 1 1 5   19 3  o 6.697000 2.134000  -1.022000      4.268000  
1 1 1 5   19 4  o 7.536000 2.304000  -1.181000      4.609000  
1 1 1 5   19 5  o 5.508000 1.904000  0.4412000      3.808000  
1 1 1 5   19 6  o 7.147000 2.387000  -2.850000      4.773000  
1 1 1 5   19 7  o 8.919000 2.721000  -2.345000      5.443000  
1 1 1 5   19 8  o 5.969000 2.812000  ?              ?         
1 1 1 5   19 9  o 9.223000 3.567000  ?              ?         
1 1 1 5   19 10 o 15.51000 3.399000  ?              ?         
1 1 1 5   19 11 o 9.257000 3.698000  ?              ?         
1 1 1 5   20 0  o 9.877000 2.800000  3.626000       5.601000  
1 1 1 5   20 1  o 9.886000 2.860000  -0.5254000E-02 5.719000  
1 1 1 5   20 2  o 11.02000 2.831000  -3.679000      5.661000  
1 1 1 5   20 3  o 10.84000 2.960000  -1.157000      5.920000  
1 1 1 5   20 4  o 7.312000 2.450000  2.028000       4.900000  
1 1 1 5   20 5  f 7.450000 2.480000  3.325000       4.961000  
1 1 1 5   20 6  o 7.700000 2.548000  2.068000       5.097000  
1 1 1 5   20 7  o 8.952000 2.743000  4.707000       5.486000  
1 1 1 5   20 8  o 5.481000 2.779000  ?              ?         
1 1 1 5   21 0  o 7.984000 2.564000  -2.393000      5.128000  
1 1 1 5   21 1  o 6.612000 2.302000  0.6886000      4.604000  
1 1 1 6   0  0  o 131.4000 1.317000  0.000000       0.000000  
1 1 1 6   0  1  o 305.7000 3.036000  0.000000       0.000000  
1 1 1 6   0  2  o 6.484000 2.714000  0.000000       0.000000  
1 1 1 6   0  3  f 154.6000 1.546000  0.000000       0.000000  
1 1 1 6   0  4  o 100.9000 1.040000  0.000000       0.000000  
1 1 1 6   0  5  o 65.19000 0.7703000 0.000000       0.000000  
1 1 1 6   0  6  o 14.17000 1.940000  0.000000       0.000000  
1 1 1 6   0  7  o 8.083000 3.467000  0.000000       0.000000  
1 1 1 6   0  8  o 32.83000 0.9774000 0.000000       0.000000  
1 1 1 6   0  9  o 26.71000 1.239000  0.000000       0.000000  
1 1 1 6   0  10 f 69.25000 0.8692000 0.000000       0.000000  
1 1 1 6   0  11 o 35.96000 1.089000  0.000000       0.000000  
1 1 1 6   0  12 o 5.690000 3.424000  0.000000       0.000000  
1 1 1 6   0  13 f 106.3000 1.158000  0.000000       0.000000  
1 1 1 6   0  14 o 155.2000 1.591000  0.000000       0.000000  
1 1 1 6   0  15 o 65.89000 0.9957000 0.000000       0.000000  
1 1 1 6   0  16 o 83.32000 1.057000  0.000000       0.000000  
1 1 1 6   0  17 o 15.43000 3.406000  0.000000       0.000000  
1 1 1 6   0  18 o 75.10000 1.048000  0.000000       0.000000  
1 1 1 6   0  19 o 94.71000 1.132000  0.000000       0.000000  
1 1 1 6   0  20 o 54.40000 1.049000  0.000000       0.000000  
1 1 1 6   0  21 o 17.27000 2.895000  0.000000       0.000000  
1 1 1 6   0  22 o 17.67000 2.703000  0.000000       0.000000  
1 1 1 6   0  23 o 9.664000 4.997000  0.000000       0.000000  
1 1 1 6   1  0  o 39.99000 0.4043000 -2.161000      0.8085000 
1 1 1 6   1  1  o 29.43000 0.4625000 -0.4626000     0.9250000 
1 1 1 6   1  2  f 12.03000 1.056000  -0.2610000E-01 2.112000  
1 1 1 6   1  3  o 81.92000 0.6104000 0.8992000      1.221000  
1 1 1 6   1  4  o 77.02000 0.5892000 -0.6078000     1.178000  
1 1 1 6   1  5  o 11.13000 1.525000  -1.929000      3.049000  
1 1 1 6   1  6  o 50.92000 0.5291000 0.5470000      1.058000  
1 1 1 6   1  7  o 41.72000 0.5785000 -2.103000      1.157000  
1 1 1 6   1  8  o 70.27000 0.5992000 0.9877000      1.198000  
1 1 1 6   1  9  o 44.38000 0.5996000 -0.3769000E-01 1.199000  
1 1 1 6   1  10 o 104.0000 0.7823000 -1.399000      1.565000  
1 1 1 6   1  11 o 67.88000 0.6323000 0.7122000      1.265000  
1 1 1 6   1  12 o 21.18000 1.271000  3.244000       2.542000  
1 1 1 6   1  13 f 75.97000 0.6754000 2.365000       1.351000  
1 1 1 6   1  14 o 79.29000 0.7015000 1.676000       1.403000  
1 1 1 6   1  15 o 149.3000 1.091000  0.7143000      2.181000  
1 1 1 6   1  16 o 112.7000 0.8737000 -1.845000      1.747000  
1 1 1 6   1  17 o 144.4000 1.066000  1.008000       2.133000  
1 1 1 6   1  18 o 50.95000 0.8191000 0.1399000      1.638000  
1 1 1 6   1  19 o 72.70000 0.7226000 -1.985000      1.445000  
1 1 1 6   1  20 o 36.35000 0.9505000 -1.135000      1.901000  
1 1 1 6   1  21 o 23.08000 1.430000  -0.2609000     2.860000  
1 1 1 6   1  22 o 24.23000 1.277000  -0.3204000     2.554000  
1 1 1 6   1  23 o 8.049000 2.448000  1.659000       4.896000  
1 1 1 6   2  0  o 139.7000 0.9887000 1.339000       1.977000  
1 1 1 6   2  1  o 168.4000 1.188000  -0.8374000E-01 2.377000  
1 1 1 6   2  2  o 34.17000 0.5213000 -1.681000      1.043000  
1 1 1 6   2  3  o 164.2000 1.162000  0.8142000      2.325000  
1 1 1 6   2  4  o 158.4000 1.123000  2.781000       2.245000  
1 1 1 6   2  5  o 14.48000 1.231000  -3.386000      2.462000  
1 1 1 6   2  6  o 53.62000 0.5214000 -0.8666000     1.043000  
1 1 1 6   2  7  o 55.03000 0.5543000 0.7833000      1.109000  
1 1 1 6   2  8  o 117.2000 0.8568000 3.575000       1.714000  
1 1 1 6   2  9  o 69.08000 0.6146000 -0.1908000     1.229000  
1 1 1 6   2  10 o 62.73000 0.6054000 -1.132000      1.211000  
1 1 1 6   2  11 o 16.29000 1.679000  -3.861000      3.358000  
1 1 1 6   2  12 o 43.08000 0.6987000 -0.8033000     1.397000  
1 1 1 6   2  13 o 96.66000 0.7673000 0.3232000      1.535000  
1 1 1 6   2  14 o 106.8000 0.8287000 -0.3098000     1.657000  
1 1 1 6   2  15 o 73.19000 0.7125000 1.382000       1.425000  
1 1 1 6   2  16 o 51.86000 0.7718000 -1.945000      1.544000  
1 1 1 6   2  17 o 85.80000 0.7569000 -0.9576000     1.514000  
1 1 1 6   2  18 o 82.93000 0.7551000 -1.559000      1.510000  
1 1 1 6   2  19 o 30.43000 1.057000  -0.8271000     2.114000  
1 1 1 6   2  20 o 69.90000 0.7022000 1.950000       1.404000  
1 1 1 6   2  21 o 31.89000 0.9710000 -1.717000      1.942000  
1 1 1 6   2  22 o 13.49000 2.304000  0.6030000E-01  4.608000  
1 1 1 6   2  23 o 9.798000 2.615000  1.875000       5.230000  
1 1 1 6   3  0  o 39.41000 0.8626000 ?              ?         
1 1 1 6   3  1  o 66.33000 0.5130000 -1.333000      1.026000  
1 1 1 6   3  2  o 13.89000 0.9529000 5.022000       1.906000  
1 1 1 6   3  3  o 10.24000 1.430000  -1.100000      2.859000  
1 1 1 6   3  4  o 115.8000 0.8362000 -0.2834000     1.672000  
1 1 1 6   3  5  o 34.00000 0.6587000 1.391000       1.317000  
1 1 1 6   3  6  o 42.01000 0.5661000 1.679000       1.132000  
1 1 1 6   3  7  o 58.98000 0.6706000 2.441000       1.341000  
1 1 1 6   3  8  o 116.8000 0.8548000 3.092000       1.710000  
1 1 1 6   3  9  o 176.3000 1.254000  -1.921000      2.507000  
1 1 1 6   3  10 o 125.8000 0.9205000 -0.9893000     1.841000  
1 1 1 6   3  11 o 128.0000 0.9380000 -2.313000      1.876000  
1 1 1 6   3  12 o 184.8000 1.318000  -1.897000      2.637000  
1 1 1 6   3  13 o 78.44000 0.6891000 -0.8560000     1.378000  
1 1 1 6   3  14 o 143.8000 1.051000  -2.096000      2.102000  
1 1 1 6   3  15 o 83.69000 0.7351000 2.925000       1.470000  
1 1 1 6   3  16 o 97.33000 0.7950000 -0.8594000     1.590000  
1 1 1 6   3  17 o 98.52000 0.8048000 -0.8904000     1.610000  
1 1 1 6   3  18 o 37.66000 0.9469000 3.506000       1.894000  
1 1 1 6   3  19 o 117.3000 0.8979000 -1.413000      1.796000  
1 1 1 6   3  20 o 33.72000 0.9943000 1.470000       1.989000  
1 1 1 6   3  21 o 39.39000 0.8710000 -0.7263000E-01 1.742000  
1 1 1 6   3  22 o 6.158000 2.017000  0.5327000      4.034000  
1 1 1 6   3  23 o 11.12000 4.172000  ?              ?         
1 1 1 6   4  0  o 52.53000 0.4479000 1.913000       0.8958000 
1 1 1 6   4  1  o 147.2000 1.288000  3.260000       2.577000  
1 1 1 6   4  2  o 157.6000 1.117000  0.5204000      2.233000  
1 1 1 6   4  3  o 148.3000 1.054000  1.195000       2.108000  
1 1 1 6   4  4  o 180.3000 1.276000  3.343000       2.552000  
1 1 1 6   4  5  o 61.17000 0.6928000 -0.8499000     1.386000  
1 1 1 6   4  6  o 46.06000 0.7284000 0.5226000E-03  1.457000  
1 1 1 6   4  7  o 25.04000 0.8808000 -3.650000      1.762000  
1 1 1 6   4  8  o 28.32000 0.8008000 -0.8294000     1.602000  
1 1 1 6   4  9  o 61.12000 0.5963000 1.464000       1.193000  
1 1 1 6   4  10 o 82.85000 0.6739000 -0.9425000     1.348000  
1 1 1 6   4  11 f 36.21000 0.7726000 -1.383000      1.545000  
1 1 1 6   4  12 o 103.0000 0.7957000 -1.933000      1.591000  
1 1 1 6   4  13 o 86.97000 0.7266000 -0.6363000     1.453000  
1 1 1 6   4  14 o 91.54000 0.7627000 -0.2881000     1.525000  
1 1 1 6   4  15 o 51.39000 0.7473000 -1.107000      1.495000  
1 1 1 6   4  16 o 86.46000 0.7557000 -0.5457000     1.511000  
1 1 1 6   4  17 o 32.71000 1.092000  -4.903000      2.184000  
1 1 1 6   4  18 o 71.08000 0.7177000 -0.8967000     1.435000  
1 1 1 6   4  19 o 107.2000 0.8521000 -0.1464000     1.704000  
1 1 1 6   4  20 o 21.99000 1.448000  -1.376000      2.897000  
1 1 1 6   4  21 o 12.45000 2.362000  1.645000       4.724000  
1 1 1 6   4  22 o 16.52000 1.892000  -0.8596000     3.783000  
1 1 1 6   4  23 o 15.93000 4.024000  ?              ?         
1 1 1 6   5  0  f 11.36000 1.059000  0.1426000      2.118000  
1 1 1 6   5  1  o 30.97000 0.4882000 0.4712000      0.9764000 
1 1 1 6   5  2  o 50.05000 0.4754000 -0.9691000     0.9508000 
1 1 1 6   5  3  f 41.90000 0.4962000 0.7965000      0.9924000 
1 1 1 6   5  4  o 73.05000 0.5862000 -0.5543000     1.172000  
1 1 1 6   5  5  f 117.3000 0.8522000 1.826000       1.704000  
1 1 1 6   5  6  o 69.52000 0.6023000 0.7975000      1.205000  
1 1 1 6   5  7  o 75.50000 0.7644000 -1.425000      1.529000  
1 1 1 6   5  8  o 107.9000 0.8001000 -0.9783000     1.600000  
1 1 1 6   5  9  o 102.3000 0.7745000 1.097000       1.549000  
1 1 1 6   5  10 o 105.0000 0.7978000 -1.255000      1.596000  
1 1 1 6   5  11 o 76.44000 0.9496000 -1.252000      1.899000  
1 1 1 6   5  12 o 88.03000 0.7237000 -0.1934000     1.447000  
1 1 1 6   5  13 o 157.9000 1.143000  -2.029000      2.287000  
1 1 1 6   5  14 o 104.5000 0.8260000 1.657000       1.652000  
1 1 1 6   5  15 o 198.5000 1.421000  -1.958000      2.842000  
1 1 1 6   5  16 o 99.34000 0.8148000 -0.8565000     1.630000  
1 1 1 6   5  17 o 31.49000 1.092000  2.236000       2.183000  
1 1 1 6   5  18 o 71.04000 0.7047000 2.123000       1.409000  
1 1 1 6   5  19 o 97.02000 0.7951000 -0.4304000     1.590000  
1 1 1 6   5  20 o 24.85000 1.289000  -3.738000      2.578000  
1 1 1 6   5  21 o 20.88000 1.539000  -3.397000      3.079000  
1 1 1 6   5  22 o 13.44000 2.144000  -10.38000      4.288000  
1 1 1 6   5  23 o 9.446000 3.997000  ?              ?         
1 1 1 6   6  0  o 96.52000 0.7079000 1.092000       1.416000  
1 1 1 6   6  1  o 141.5000 1.007000  3.033000       2.015000  
1 1 1 6   6  2  o 111.0000 0.8052000 2.066000       1.610000  
1 1 1 6   6  3  o 77.44000 0.6029000 2.506000       1.206000  
1 1 1 6   6  4  o 24.07000 0.7601000 -2.057000      1.520000  
1 1 1 6   6  5  f 163.4000 1.162000  4.747000       2.325000  
1 1 1 6   6  6  o 168.8000 1.201000  -2.069000      2.402000  
1 1 1 6   6  7  o 69.80000 0.6043000 1.723000       1.209000  
1 1 1 6   6  8  o 39.09000 0.6683000 0.9952000      1.337000  
1 1 1 6   6  9  o 18.44000 1.422000  -4.087000      2.844000  
1 1 1 6   6  10 o 67.38000 0.6460000 0.6298000      1.292000  
1 1 1 6   6  11 o 75.38000 0.6718000 2.191000       1.344000  
1 1 1 6   6  12 o 37.85000 0.8745000 -0.5872000     1.749000  
1 1 1 6   6  13 o 21.37000 1.513000  -4.568000      3.026000  
1 1 1 6   6  14 o 36.10000 0.9676000 -0.7309000     1.935000  
1 1 1 6   6  15 o 51.01000 0.7777000 -1.522000      1.555000  
1 1 1 6   6  16 o 55.52000 0.7512000 0.4522000      1.502000  
1 1 1 6   6  17 o 68.96000 0.9944000 1.009000       1.989000  
1 1 1 6   6  18 o 51.06000 0.7760000 1.674000       1.552000  
1 1 1 6   6  19 o 17.35000 1.850000  -4.888000      3.701000  
1 1 1 6   6  20 o 12.77000 2.134000  7.542000       4.268000  
1 1 1 6   6  21 o 12.39000 2.294000  -2.741000      4.588000  
1 1 1 6   6  22 o 11.20000 2.889000  -5.375000      5.778000  
1 1 1 6   7  0  o 73.02000 0.6796000 -1.337000      1.359000  
1 1 1 6   7  1  o 26.71000 0.7112000 -0.2139000     1.422000  
1 1 1 6   7  2  o 42.00000 0.5203000 1.580000       1.041000  
1 1 1 6   7  3  o 41.51000 0.5329000 -0.5544000     1.066000  
1 1 1 6   7  4  o 27.36000 0.7071000 0.8154000      1.414000  
1 1 1 6   7  5  o 65.64000 0.6928000 -2.149000      1.386000  
1 1 1 6   7  6  o 70.58000 0.6102000 -0.1338000     1.220000  
1 1 1 6   7  7  o 88.88000 0.6966000 -0.2010000     1.393000  
1 1 1 6   7  8  o 73.94000 0.6445000 1.048000       1.289000  
1 1 1 6   7  9  o 92.22000 0.7331000 -1.208000      1.466000  
1 1 1 6   7  10 o 146.6000 1.063000  3.968000       2.127000  
1 1 1 6   7  11 o 50.11000 0.7359000 -1.715000      1.472000  
1 1 1 6   7  12 o 95.53000 0.7696000 -0.3911000E-01 1.539000  
1 1 1 6   7  13 o 135.5000 1.005000  -1.053000      2.010000  
1 1 1 6   7  14 o 177.0000 1.279000  1.421000       2.558000  
1 1 1 6   7  15 o 36.61000 0.9903000 -2.620000      1.981000  
1 1 1 6   7  16 o 71.18000 0.7331000 0.2537000      1.466000  
1 1 1 6   7  17 o 24.69000 1.411000  3.071000       2.823000  
1 1 1 6   7  18 o 24.62000 1.326000  -0.5220000     2.651000  
1 1 1 6   7  19 o 17.88000 1.827000  -0.1593000     3.654000  
1 1 1 6   7  20 o 12.40000 2.426000  1.951000       4.852000  
1 1 1 6   7  21 o 13.53000 2.206000  -2.038000      4.412000  
1 1 1 6   7  22 o 6.270000 2.197000  -1.607000      4.395000  
1 1 1 6   8  0  o 55.60000 0.6281000 0.2707000      1.256000  
1 1 1 6   8  1  o 101.8000 0.8657000 0.9860000      1.731000  
1 1 1 6   8  2  o 88.32000 0.7681000 3.345000       1.536000  
1 1 1 6   8  3  o 112.5000 0.9411000 4.093000       1.882000  
1 1 1 6   8  4  o 66.11000 0.5797000 -0.3031000     1.159000  
1 1 1 6   8  5  o 66.83000 0.7498000 -0.7218000     1.500000  
1 1 1 6   8  6  o 37.70000 0.6859000 -0.3802000     1.372000  
1 1 1 6   8  7  o 55.31000 0.6185000 -0.3648000     1.237000  
1 1 1 6   8  8  o 26.04000 1.037000  -0.5974000     2.073000  
1 1 1 6   8  9  o 69.51000 0.6667000 -0.6767000     1.333000  
1 1 1 6   8  10 o 44.39000 0.7633000 -2.868000      1.527000  
1 1 1 6   8  11 o 28.23000 1.136000  -2.365000      2.272000  
1 1 1 6   8  12 o 43.12000 1.084000  -3.366000      2.167000  
1 1 1 6   8  13 f 11.63000 2.505000  2.637000       5.010000  
1 1 1 6   8  14 o 25.15000 1.437000  -4.827000      2.875000  
1 1 1 6   8  15 o 67.53000 0.7225000 -2.449000      1.445000  
1 1 1 6   8  16 o 46.51000 0.8219000 -0.2730000E-01 1.644000  
1 1 1 6   8  17 o 14.23000 2.218000  6.061000       4.435000  
1 1 1 6   8  18 o 9.539000 2.409000  4.429000       4.817000  
1 1 1 6   8  19 o 9.293000 2.399000  -2.478000      4.798000  
1 1 1 6   8  20 o 8.287000 2.354000  -1.196000      4.707000  
1 1 1 6   8  21 o 19.36000 2.559000  1.274000       5.118000  
1 1 1 6   8  22 o 7.294000 2.456000  -1.459000      4.911000  
1 1 1 6   9  0  o 12.60000 1.758000  0.7862000      3.515000  
1 1 1 6   9  1  o 28.40000 0.8768000 -1.139000      1.754000  
1 1 1 6   9  2  o 31.53000 0.7167000 -0.7107000     1.433000  
1 1 1 6   9  3  o 39.84000 0.6651000 -1.427000      1.330000  
1 1 1 6   9  4  f 32.36000 0.7970000 -0.1734000     1.594000  
1 1 1 6   9  5  o 19.68000 1.251000  0.8830000      2.501000  
1 1 1 6   9  6  o 71.04000 0.7543000 -1.602000      1.509000  
1 1 1 6   9  7  o 33.93000 1.000000  3.767000       2.000000  
1 1 1 6   9  8  o 37.32000 0.7972000 -1.884000      1.594000  
1 1 1 6   9  9  o 66.46000 0.6743000 -0.5952000     1.349000  
1 1 1 6   9  10 o 64.28000 0.6965000 -1.210000      1.393000  
1 1 1 6   9  11 o 76.68000 0.7200000 -1.561000      1.440000  
1 1 1 6   9  12 f 35.04000 0.9882000 -0.5920000E-01 1.976000  
1 1 1 6   9  13 o 89.07000 0.7614000 0.3535000      1.523000  
1 1 1 6   9  14 o 81.27000 0.7407000 -0.9757000     1.481000  
1 1 1 6   9  15 o 29.74000 1.143000  -0.2091000E-01 2.285000  
1 1 1 6   9  16 o 19.31000 1.678000  1.509000       3.355000  
1 1 1 6   9  17 o 42.59000 0.8429000 -1.037000      1.686000  
1 1 1 6   9  18 o 30.18000 1.129000  -3.289000      2.258000  
1 1 1 6   9  19 o 19.30000 1.610000  0.4236000      3.219000  
1 1 1 6   9  20 o 33.99000 1.207000  2.445000       2.414000  
1 1 1 6   9  21 o 23.31000 2.039000  -1.034000      4.078000  
1 1 1 6   10 0  o 43.30000 0.7168000 0.4292000      1.434000  
1 1 1 6   10 1  o 88.35000 0.7952000 -1.041000      1.590000  
1 1 1 6   10 2  o 89.29000 0.7928000 2.705000       1.586000  
1 1 1 6   10 3  o 129.5000 1.089000  ?              ?         
1 1 1 6   10 4  o 16.75000 1.645000  2.357000       3.290000  
1 1 1 6   10 5  o 36.44000 0.7656000 -2.086000      1.531000  
1 1 1 6   10 6  o 42.88000 0.7221000 -2.251000      1.444000  
1 1 1 6   10 7  o 24.85000 1.118000  -2.066000      2.236000  
1 1 1 6   10 8  o 25.83000 1.213000  1.748000       2.426000  
1 1 1 6   10 9  o 31.93000 1.036000  -3.785000      2.071000  
1 1 1 6   10 10 o 19.33000 1.625000  0.8081000      3.251000  
1 1 1 6   10 11 o 20.44000 1.612000  1.964000       3.225000  
1 1 1 6   10 12 o 26.44000 1.236000  1.940000       2.471000  
1 1 1 6   10 13 o 21.39000 1.663000  -7.550000      3.326000  
1 1 1 6   10 14 o 16.12000 1.994000  -1.938000      3.989000  
1 1 1 6   10 15 o 31.86000 1.023000  -1.448000      2.046000  
1 1 1 6   10 16 o 8.697000 2.268000  -4.668000      4.536000  
1 1 1 6   10 17 o 12.74000 2.427000  0.9183000      4.855000  
1 1 1 6   10 18 o 9.321000 2.374000  -2.925000      4.748000  
1 1 1 6   10 19 o 10.60000 2.371000  4.383000       4.741000  
1 1 1 6   10 20 o 14.64000 2.928000  0.7380000      5.856000  
1 1 1 6   10 21 o 8.121000 2.598000  -1.739000      5.197000  
1 1 1 6   11 0  o 40.12000 0.6344000 0.5802000      1.269000  
1 1 1 6   11 1  o 22.76000 1.216000  -0.8902000     2.431000  
1 1 1 6   11 2  o 20.81000 1.300000  -1.278000      2.599000  
1 1 1 6   11 3  f 22.97000 1.124000  -2.050000      2.248000  
1 1 1 6   11 4  o 20.40000 1.295000  -3.799000      2.590000  
1 1 1 6   11 5  o 46.02000 0.7113000 -1.304000      1.423000  
1 1 1 6   11 6  o 61.44000 0.7006000 -1.150000      1.401000  
1 1 1 6   11 7  o 50.30000 0.7191000 -0.5853000     1.438000  
1 1 1 6   11 8  o 38.89000 0.8227000 -1.940000      1.645000  
1 1 1 6   11 9  o 17.53000 1.764000  -1.221000      3.528000  
1 1 1 6   11 10 o 48.81000 0.7973000 -1.642000      1.595000  
1 1 1 6   11 11 o 40.13000 0.9251000 -0.6440000     1.850000  
1 1 1 6   11 12 o 64.62000 0.7073000 -1.202000      1.415000  
1 1 1 6   11 13 o 34.17000 0.9712000 -2.447000      1.942000  
1 1 1 6   11 14 o 8.916000 2.359000  -3.978000      4.718000  
1 1 1 6   11 15 o 46.95000 0.7692000 0.9480000      1.538000  
1 1 1 6   11 16 o 32.43000 1.041000  0.9271000      2.082000  
1 1 1 6   11 17 o 8.971000 2.397000  0.9758000      4.794000  
1 1 1 6   11 18 o 20.29000 1.579000  1.437000       3.158000  
1 1 1 6   11 19 o 10.04000 2.848000  -5.586000      5.695000  
1 1 1 6   11 20 o 7.249000 2.382000  -0.5357000     4.764000  
1 1 1 6   11 21 o 12.22000 4.054000  ?              ?         
1 1 1 6   12 0  f 62.75000 0.6075000 0.3468000      1.215000  
1 1 1 6   12 1  o 69.43000 0.6293000 1.031000       1.259000  
1 1 1 6   12 2  o 77.03000 0.7531000 -0.1352000     1.506000  
1 1 1 6   12 3  o 95.84000 0.8644000 -0.6126000     1.729000  
1 1 1 6   12 4  o 14.84000 1.983000  8.684000       3.966000  
1 1 1 6   12 5  o 45.00000 0.7473000 -0.2226000     1.495000  
1 1 1 6   12 6  o 70.89000 0.7407000 -1.052000      1.481000  
1 1 1 6   12 7  o 48.48000 0.7176000 0.6183000      1.435000  
1 1 1 6   12 8  o 52.03000 0.7357000 -0.1038000     1.471000  
1 1 1 6   12 9  o 18.61000 1.609000  0.2916000      3.218000  
1 1 1 6   12 10 o 31.86000 0.9979000 1.854000       1.996000  
1 1 1 6   12 11 o 21.72000 1.440000  -1.810000      2.881000  
1 1 1 6   12 12 o 27.13000 1.190000  0.8851000      2.380000  
1 1 1 6   12 13 o 8.638000 2.433000  -0.9052000     4.865000  
1 1 1 6   12 14 o 21.42000 1.444000  -2.654000      2.887000  
1 1 1 6   12 15 o 10.22000 2.465000  0.1102000      4.930000  
1 1 1 6   12 16 o 8.730000 2.265000  -3.358000      4.531000  
1 1 1 6   12 17 o 9.226000 2.503000  0.3908000      5.006000  
1 1 1 6   12 18 o 7.977000 2.568000  -2.814000      5.137000  
1 1 1 6   12 19 o 8.082000 2.482000  3.789000       4.964000  
1 1 1 6   12 20 o 6.743000 2.259000  1.772000       4.518000  
1 1 1 6   13 0  o 21.86000 1.178000  3.599000       2.356000  
1 1 1 6   13 1  o 39.87000 0.7168000 -2.142000      1.434000  
1 1 1 6   13 2  o 25.23000 1.068000  -3.657000      2.137000  
1 1 1 6   13 3  o 58.64000 0.7160000 -2.950000      1.432000  
1 1 1 6   13 4  o 29.36000 1.042000  3.204000       2.085000  
1 1 1 6   13 5  o 43.53000 0.7466000 -1.870000      1.493000  
1 1 1 6   13 6  o 52.05000 0.7267000 -2.976000      1.453000  
1 1 1 6   13 7  o 21.85000 1.292000  0.8520000      2.584000  
1 1 1 6   13 8  o 13.65000 2.058000  3.443000       4.116000  
1 1 1 6   13 9  o 8.317000 2.234000  2.276000       4.468000  
1 1 1 6   13 10 f 23.28000 1.213000  -2.778000      2.426000  
1 1 1 6   13 11 o 26.91000 1.148000  -1.789000      2.297000  
1 1 1 6   13 12 o 17.76000 1.775000  0.2185000      3.549000  
1 1 1 6   13 13 o 19.60000 1.549000  -0.4747000     3.098000  
1 1 1 6   13 14 o 7.322000 2.173000  3.148000       4.345000  
1 1 1 6   13 15 o 24.27000 1.419000  -2.217000      2.837000  
1 1 1 6   13 16 o 18.73000 2.231000  2.843000       4.461000  
1 1 1 6   13 17 o 8.264000 3.393000  ?              ?         
1 1 1 6   13 18 o 7.681000 3.287000  ?              ?         
1 1 1 6   13 19 o 6.965000 3.130000  ?              ?         
1 1 1 6   13 20 o 10.02000 4.059000  ?              ?         
1 1 1 6   14 0  o 36.43000 0.7722000 -0.6060000     1.544000  
1 1 1 6   14 1  o 25.74000 0.9905000 -0.5121000     1.981000  
1 1 1 6   14 2  o 22.65000 1.136000  2.557000       2.272000  
1 1 1 6   14 3  o 44.59000 0.7733000 -1.260000      1.547000  
1 1 1 6   14 4  o 25.51000 1.150000  1.762000       2.301000  
1 1 1 6   14 5  o 36.47000 0.8178000 2.917000       1.636000  
1 1 1 6   14 6  o 36.90000 0.8092000 1.550000       1.618000  
1 1 1 6   14 7  f 6.222000 1.988000  0.1214000E-01  3.977000  
1 1 1 6   14 8  o 29.59000 0.9383000 -3.036000      1.877000  
1 1 1 6   14 9  o 12.26000 2.214000  -2.254000      4.428000  
1 1 1 6   14 10 o 8.907000 2.147000  -5.721000      4.294000  
1 1 1 6   14 11 o 6.936000 2.136000  0.3099000      4.271000  
1 1 1 6   14 12 f 8.124000 3.249000  ?              ?         
1 1 1 6   14 13 o 8.855000 2.429000  -1.633000      4.859000  
1 1 1 6   14 14 o 9.709000 2.553000  -5.047000      5.107000  
1 1 1 6   14 15 o 7.657000 2.391000  -3.107000      4.782000  
1 1 1 6   14 16 o 8.533000 3.416000  ?              ?         
1 1 1 6   14 17 o 8.308000 3.426000  ?              ?         
1 1 1 6   14 18 o 7.383000 3.241000  ?              ?         
1 1 1 6   14 19 o 6.550000 3.038000  ?              ?         
1 1 1 6   15 0  o 33.07000 0.7870000 -2.055000      1.574000  
1 1 1 6   15 1  o 27.33000 0.9248000 -1.390000      1.850000  
1 1 1 6   15 2  o 23.57000 1.077000  -1.912000      2.155000  
1 1 1 6   15 3  o 27.74000 0.9620000 -2.812000      1.924000  
1 1 1 6   15 4  o 5.755000 1.896000  0.5021000      3.792000  
1 1 1 6   15 5  o 12.09000 2.207000  -4.704000      4.415000  
1 1 1 6   15 6  o 17.62000 1.564000  -3.465000      3.127000  
1 1 1 6   15 7  o 6.334000 2.800000  ?              ?         
1 1 1 6   15 8  o 10.72000 2.221000  -4.955000      4.443000  
1 1 1 6   15 9  o 10.17000 2.227000  3.811000       4.454000  
1 1 1 6   15 10 o 18.52000 1.559000  2.554000       3.118000  
1 1 1 6   15 11 o 17.51000 1.682000  3.388000       3.363000  
1 1 1 6   15 12 o 14.35000 2.103000  -0.5962000     4.206000  
1 1 1 6   15 13 o 24.31000 1.400000  0.9034000      2.800000  
1 1 1 6   15 14 o 20.86000 1.795000  -1.260000      3.590000  
1 1 1 6   15 15 o 6.655000 3.082000  ?              ?         
1 1 1 6   15 16 o 16.90000 2.976000  ?              ?         
1 1 1 6   15 17 o 6.212000 2.938000  ?              ?         
1 1 1 6   15 18 o 8.246000 3.452000  ?              ?         
1 1 1 6   16 0  o 21.52000 1.182000  -1.432000      2.365000  
1 1 1 6   16 1  o 34.13000 0.7953000 -0.4354000     1.591000  
1 1 1 6   16 2  o 24.00000 1.499000  4.377000       2.997000  
1 1 1 6   16 3  f 12.08000 2.152000  0.6217000      4.303000  
1 1 1 6   16 4  o 14.96000 1.788000  1.114000       3.576000  
1 1 1 6   16 5  o 16.75000 1.706000  -2.877000      3.412000  
1 1 1 6   16 6  o 20.99000 1.342000  2.841000       2.684000  
1 1 1 6   16 7  o 6.271000 2.013000  -0.1180000     4.027000  
1 1 1 6   16 8  f 4.794000 1.667000  -0.1450000     3.334000  
1 1 1 6   16 9  o 6.844000 2.122000  -2.018000      4.244000  
1 1 1 6   16 10 o 6.705000 2.147000  -1.026000      4.294000  
1 1 1 6   16 11 o 7.446000 2.246000  1.207000       4.493000  
1 1 1 6   16 12 o 12.52000 2.451000  -3.775000      4.903000  
1 1 1 6   16 13 o 5.913000 2.837000  ?              ?         
1 1 1 6   16 14 o 7.079000 3.203000  ?              ?         
1 1 1 6   16 15 o 5.159000 2.541000  ?              ?         
1 1 1 6   16 16 o 5.804000 2.806000  ?              ?         
1 1 1 6   16 17 o 5.926000 2.849000  ?              ?         
1 1 1 6   17 0  o 8.085000 2.118000  -3.933000      4.236000  
1 1 1 6   17 1  o 12.30000 2.080000  5.556000       4.160000  
1 1 1 6   17 2  o 6.596000 2.034000  1.012000       4.068000  
1 1 1 6   17 3  o 17.68000 1.595000  -2.440000      3.190000  
1 1 1 6   17 4  o 14.11000 2.060000  1.652000       4.121000  
1 1 1 6   17 5  o 7.333000 2.222000  -3.822000      4.445000  
1 1 1 6   17 6  o 10.72000 2.454000  0.6297000      4.908000  
1 1 1 6   17 7  o 9.693000 2.420000  -0.4062000     4.839000  
1 1 1 6   17 8  o 7.633000 2.115000  4.601000       4.230000  
1 1 1 6   17 9  o 7.605000 2.305000  0.5696000      4.611000  
1 1 1 6   17 10 o 7.049000 2.223000  2.966000       4.446000  
1 1 1 6   17 11 o 6.613000 3.049000  ?              ?         
1 1 1 6   17 12 o 8.282000 3.467000  ?              ?         
1 1 1 6   17 13 o 7.573000 3.300000  ?              ?         
1 1 1 6   17 14 o 11.49000 3.809000  ?              ?         
1 1 1 6   17 15 o 5.751000 2.803000  ?              ?         
1 1 1 6   18 0  o 8.207000 2.137000  -4.735000      4.274000  
1 1 1 6   18 1  o 11.12000 2.021000  8.739000       4.042000  
1 1 1 6   18 2  o 17.13000 1.707000  -0.5234000     3.414000  
1 1 1 6   18 3  o 13.33000 2.260000  1.772000       4.520000  
1 1 1 6   18 4  o 6.710000 2.092000  4.183000       4.184000  
1 1 1 6   18 5  o 14.29000 2.236000  -0.9716000     4.472000  
1 1 1 6   18 6  o 26.23000 1.252000  -4.988000      2.504000  
1 1 1 6   18 7  o 18.64000 1.931000  -4.401000      3.862000  
1 1 1 6   18 8  o 17.75000 2.707000  ?              ?         
1 1 1 6   18 9  o 5.609000 2.721000  ?              ?         
1 1 1 6   18 10 o 5.803000 2.780000  ?              ?         
1 1 1 6   18 11 o 6.290000 2.957000  ?              ?         
1 1 1 6   18 12 o 6.590000 3.089000  ?              ?         
1 1 1 6   18 13 o 5.287000 2.609000  ?              ?         
1 1 1 6   19 0  o 7.412000 2.395000  0.9413000      4.789000  
1 1 1 6   19 1  o 7.113000 2.329000  -1.614000      4.658000  
1 1 1 6   19 2  o 6.122000 2.108000  -0.7461000     4.216000  
1 1 1 6   19 3  o 9.216000 2.716000  3.937000       5.433000  
1 1 1 6   19 4  o 7.750000 2.524000  1.210000       5.048000  
1 1 1 6   19 5  o 5.423000 1.929000  0.5293000      3.858000  
1 1 1 6   19 6  o 7.649000 3.237000  ?              ?         
1 1 1 6   19 7  o 9.040000 3.526000  ?              ?         
1 1 1 6   19 8  o 5.758000 2.763000  ?              ?         
1 1 1 6   19 9  o 10.94000 3.673000  ?              ?         
1 1 1 6   19 10 f 4.496000 2.267000  ?              ?         
1 1 1 6   20 0  o 7.389000 2.414000  -0.2285000     4.829000  
1 1 1 6   20 1  o 5.837000 2.029000  1.086000       4.058000  
1 1 1 6   20 2  o 5.781000 2.018000  1.748000       4.035000  
1 1 1 6   20 3  o 7.783000 2.459000  -3.885000      4.918000  
1 1 1 6   20 4  f 8.748000 2.689000  -2.555000      5.378000  
1 1 1 6   20 5  o 7.462000 2.470000  -0.9170000     4.939000  
1 1 1 6   20 6  o 5.715000 2.867000  ?              ?         
1 1 1 7   0  0  o 59.37000 0.6805000 0.000000       0.000000  
1 1 1 7   0  1  o 85.46000 0.8950000 0.000000       0.000000  
1 1 1 7   0  2  o 137.6000 1.384000  0.000000       0.000000  
1 1 1 7   0  3  o 111.5000 1.141000  0.000000       0.000000  
1 1 1 7   0  4  o 30.39000 0.7931000 0.000000       0.000000  
1 1 1 7   0  5  o 184.7000 1.848000  0.000000       0.000000  
1 1 1 7   0  6  o 130.7000 1.330000  0.000000       0.000000  
1 1 1 7   0  7  o 184.5000 1.850000  0.000000       0.000000  
1 1 1 7   0  8  o 11.18000 3.048000  0.000000       0.000000  
1 1 1 7   0  9  o 15.33000 2.297000  0.000000       0.000000  
1 1 1 7   0  10 o 3.953000 2.714000  0.000000       0.000000  
1 1 1 7   0  11 o 37.01000 1.062000  0.000000       0.000000  
1 1 1 7   0  12 o 160.5000 1.634000  0.000000       0.000000  
1 1 1 7   0  13 o 136.1000 1.416000  0.000000       0.000000  
1 1 1 7   0  14 o 71.32000 0.9958000 0.000000       0.000000  
1 1 1 7   0  15 o 69.66000 0.9845000 0.000000       0.000000  
1 1 1 7   0  16 o 24.90000 1.879000  0.000000       0.000000  
1 1 1 7   0  17 o 108.3000 1.210000  0.000000       0.000000  
1 1 1 7   0  18 o 49.13000 1.099000  0.000000       0.000000  
1 1 1 7   0  19 o 31.68000 1.466000  0.000000       0.000000  
1 1 1 7   0  20 o 33.12000 1.463000  0.000000       0.000000  
1 1 1 7   0  21 o 6.435000 3.802000  0.000000       0.000000  
1 1 1 7   0  22 o 12.12000 3.887000  0.000000       0.000000  
1 1 1 7   1  0  o 75.79000 0.5695000 0.9242000      1.139000  
1 1 1 7   1  1  o 76.63000 0.5813000 0.1556000      1.163000  
1 1 1 7   1  2  o 40.45000 0.5563000 1.317000       1.113000  
1 1 1 7   1  3  o 52.83000 0.4941000 -0.6913000     0.9882000 
1 1 1 7   1  4  o 6.700000 1.709000  -3.159000      3.417000  
1 1 1 7   1  5  o 42.69000 0.5398000 -0.4530000E-01 1.080000  
1 1 1 7   1  6  o 14.49000 1.425000  -3.035000      2.850000  
1 1 1 7   1  7  o 83.42000 0.6604000 0.1051000E-01  1.321000  
1 1 1 7   1  8  o 106.9000 0.7971000 -2.348000      1.594000  
1 1 1 7   1  9  o 74.25000 0.6279000 -0.2564000     1.256000  
1 1 1 7   1  10 o 34.74000 0.7557000 -0.6302000E-01 1.511000  
1 1 1 7   1  11 o 59.90000 0.6458000 0.1098000E-01  1.292000  
1 1 1 7   1  12 o 102.9000 0.7955000 -0.4086000E-01 1.591000  
1 1 1 7   1  13 o 249.8000 1.771000  -3.227000      3.541000  
1 1 1 7   1  14 o 114.3000 0.8717000 -2.326000      1.743000  
1 1 1 7   1  15 o 98.05000 0.7920000 1.343000       1.584000  
1 1 1 7   1  16 o 132.4000 0.9906000 3.139000       1.981000  
1 1 1 7   1  18 o 85.62000 0.7565000 0.1918000      1.513000  
1 1 1 7   1  19 o 34.41000 0.9496000 0.3021000      1.899000  
1 1 1 7   1  20 o 30.17000 1.038000  -0.1359000     2.076000  
1 1 1 7   1  21 o 5.377000 1.819000  2.022000       3.638000  
1 1 1 7   1  22 o 8.033000 2.331000  0.5607000      4.662000  
1 1 1 7   2  0  o 130.4000 1.141000  -3.304000      2.283000  
1 1 1 7   2  1  o 261.0000 2.607000  1.626000       5.214000  
1 1 1 7   2  2  o 37.63000 0.5027000 1.332000       1.005000  
1 1 1 7   2  3  o 76.97000 0.5974000 -0.5238000     1.195000  
1 1 1 7   2  4  o 110.8000 0.8073000 -2.301000      1.615000  
1 1 1 7   2  5  o 116.6000 0.8470000 0.4016000      1.694000  
1 1 1 7   2  6  o 272.8000 1.925000  4.253000       3.849000  
1 1 1 7   2  7  o 228.7000 1.614000  2.159000       3.228000  
1 1 1 7   2  8  o 152.1000 1.088000  -1.101000      2.177000  
1 1 1 7   2  9  o 54.31000 0.5992000 0.2743000      1.198000  
1 1 1 7   2  10 o 34.68000 0.7954000 -2.317000      1.591000  
1 1 1 7   2  11 o 88.82000 0.7170000 -0.2675000     1.434000  
1 1 1 7   2  12 f 75.75000 0.6805000 3.039000       1.361000  
1 1 1 7   2  13 o 128.3000 1.166000  1.027000       2.331000  
1 1 1 7   2  14 o 64.96000 0.6993000 -1.667000      1.399000  
1 1 1 7   2  15 o 75.51000 0.7190000 -0.5326000     1.438000  
1 1 1 7   2  16 o 104.5000 0.8351000 0.4558000      1.670000  
1 1 1 7   2  17 o 13.10000 2.515000  -2.345000      5.030000  
1 1 1 7   2  18 o 67.88000 0.7221000 -1.043000      1.444000  
1 1 1 7   2  19 o 14.32000 2.290000  -2.916000      4.579000  
1 1 1 7   2  20 o 24.37000 1.342000  0.2404000      2.685000  
1 1 1 7   2  21 o 12.45000 2.303000  -3.002000      4.605000  
1 1 1 7   2  22 o 7.178000 2.292000  1.363000       4.584000  
1 1 1 7   3  0  o 61.52000 0.5015000 0.6764000      1.003000  
1 1 1 7   3  1  o 43.20000 0.4626000 -1.676000      0.9252000 
1 1 1 7   3  2  o 57.74000 0.4997000 -0.5584000     0.9993000 
1 1 1 7   3  3  o 5.804000 1.680000  -0.1017000     3.359000  
1 1 1 7   3  4  o 38.83000 0.5526000 -0.3653000     1.105000  
1 1 1 7   3  5  o 17.21000 1.242000  -1.780000      2.485000  
1 1 1 7   3  6  o 69.57000 0.7338000 1.144000       1.468000  
1 1 1 7   3  7  o 27.22000 0.8142000 0.1929000      1.628000  
1 1 1 7   3  8  o 50.20000 0.5904000 0.1596000      1.181000  
1 1 1 7   3  9  o 39.33000 0.6883000 0.9921000      1.377000  
1 1 1 7   3  10 o 78.29000 0.6610000 1.136000       1.322000  
1 1 1 7   3  11 o 144.0000 1.046000  -1.981000      2.091000  
1 1 1 7   3  12 o 156.1000 1.129000  -1.717000      2.258000  
1 1 1 7   3  13 o 109.8000 0.8479000 2.679000       1.696000  
1 1 1 7   3  14 o 128.5000 0.9593000 2.109000       1.919000  
1 1 1 7   3  15 o 56.88000 0.7383000 -2.837000      1.477000  
1 1 1 7   3  16 o 104.6000 0.8361000 -1.455000      1.672000  
1 1 1 7   3  17 o 116.0000 0.8956000 -0.1349000E-01 1.791000  
1 1 1 7   3  18 o 48.06000 0.7712000 2.495000       1.542000  
1 1 1 7   3  19 o 53.77000 0.7460000 1.480000       1.492000  
1 1 1 7   3  20 o 38.83000 0.8299000 0.5524000      1.660000  
1 1 1 7   3  21 o 26.29000 1.175000  0.3667000      2.351000  
1 1 1 7   3  22 o 8.678000 2.317000  -4.967000      4.635000  
1 1 1 7   4  0  o 127.6000 0.9109000 0.3200000      1.822000  
1 1 1 7   4  1  o 90.80000 0.6731000 -0.4215000     1.346000  
1 1 1 7   4  2  o 102.8000 0.7499000 0.8667000      1.500000  
1 1 1 7   4  3  o 61.64000 0.5326000 -1.703000      1.065000  
1 1 1 7   4  4  o 67.18000 0.5656000 -0.2437000     1.131000  
1 1 1 7   4  5  o 18.35000 1.368000  -0.6008000E-01 2.736000  
1 1 1 7   4  6  o 175.3000 1.246000  -3.086000      2.491000  
1 1 1 7   4  7  o 98.47000 0.7436000 -3.572000      1.487000  
1 1 1 7   4  8  f 72.67000 0.6252000 0.8647000      1.250000  
1 1 1 7   4  9  o 118.3000 0.8734000 1.276000       1.747000  
1 1 1 7   4  10 o 108.3000 0.8162000 -0.4388000     1.632000  
1 1 1 7   4  11 o 73.59000 0.8117000 -3.320000      1.623000  
1 1 1 7   4  12 f 87.47000 1.028000  -1.119000      2.057000  
1 1 1 7   4  13 o 85.77000 0.7350000 1.673000       1.470000  
1 1 1 7   4  14 o 79.72000 0.7164000 1.142000       1.433000  
1 1 1 7   4  15 o 107.7000 0.8471000 -0.1543000     1.694000  
1 1 1 7   4  16 o 40.70000 0.9087000 0.3388000      1.817000  
1 1 1 7   4  17 o 46.74000 0.7837000 -0.8790000     1.567000  
1 1 1 7   4  18 o 21.95000 1.418000  1.559000       2.836000  
1 1 1 7   4  19 o 19.60000 1.640000  0.8235000      3.280000  
1 1 1 7   4  20 o 7.611000 2.273000  0.5366000      4.547000  
1 1 1 7   4  21 o 14.14000 2.175000  -3.123000      4.350000  
1 1 1 7   4  22 o 7.628000 2.458000  1.940000       4.916000  
1 1 1 7   5  0  o 126.5000 0.9056000 3.275000       1.811000  
1 1 1 7   5  1  o 43.66000 0.4874000 0.1420000      0.9748000 
1 1 1 7   5  2  o 37.29000 0.5164000 -1.202000      1.033000  
1 1 1 7   5  3  o 15.13000 1.160000  -1.444000      2.321000  
1 1 1 7   5  4  o 9.833000 1.778000  -3.257000      3.557000  
1 1 1 7   5  5  f 34.76000 0.7887000 -0.2108000     1.577000  
1 1 1 7   5  6  o 102.7000 0.7662000 -0.5983000     1.532000  
1 1 1 7   5  7  o 108.9000 0.8093000 -0.1365000     1.619000  
1 1 1 7   5  8  o 66.63000 0.6187000 0.5861000      1.237000  
1 1 1 7   5  9  o 74.86000 0.6545000 0.7345000      1.309000  
1 1 1 7   5  10 o 71.12000 0.6516000 -0.3020000     1.303000  
1 1 1 7   5  11 o 81.90000 0.6982000 -0.9538000E-01 1.396000  
1 1 1 7   5  12 o 101.2000 0.7969000 0.1611000      1.594000  
1 1 1 7   5  13 o 22.57000 1.436000  -3.261000      2.872000  
1 1 1 7   5  14 o 29.38000 1.160000  4.805000       2.319000  
1 1 1 7   5  15 o 145.5000 1.072000  -0.6088000     2.144000  
1 1 1 7   5  16 o 108.2000 0.8493000 -1.181000      1.699000  
1 1 1 7   5  17 o 72.70000 0.7135000 -1.620000      1.427000  
1 1 1 7   5  18 o 22.60000 1.571000  -4.531000      3.142000  
1 1 1 7   5  19 o 59.74000 0.7115000 0.3116000      1.423000  
1 1 1 7   5  20 o 47.41000 0.7585000 0.6312000      1.517000  
1 1 1 7   5  21 o 34.12000 1.232000  -1.871000      2.465000  
1 1 1 7   5  22 o 8.490000 2.717000  -0.6302000E-01 5.434000  
1 1 1 7   6  0  o 176.0000 1.528000  -1.702000      3.056000  
1 1 1 7   6  1  o 142.3000 1.016000  0.7290000      2.032000  
1 1 1 7   6  2  o 19.28000 0.9158000 -3.510000      1.832000  
1 1 1 7   6  3  o 81.88000 0.6327000 2.764000       1.265000  
1 1 1 7   6  4  o 134.9000 0.9704000 3.523000       1.941000  
1 1 1 7   6  5  o 126.2000 1.122000  2.257000       2.243000  
1 1 1 7   6  6  o 215.4000 1.525000  1.101000       3.050000  
1 1 1 7   6  7  o 88.25000 0.6964000 1.839000       1.393000  
1 1 1 7   6  8  o 52.10000 0.6300000 -1.712000      1.260000  
1 1 1 7   6  9  o 42.59000 0.7164000 2.515000       1.433000  
1 1 1 7   6  10 o 71.87000 0.6716000 -0.2928000     1.343000  
1 1 1 7   6  11 f 120.9000 0.9065000 1.688000       1.813000  
1 1 1 7   6  12 o 74.38000 0.7142000 0.7326000      1.428000  
1 1 1 7   6  13 o 38.50000 0.9266000 -1.527000      1.853000  
1 1 1 7   6  14 o 25.61000 1.312000  2.043000       2.625000  
1 1 1 7   6  15 o 55.01000 0.7470000 -3.199000      1.494000  
1 1 1 7   6  16 o 58.68000 0.7350000 -1.268000      1.470000  
1 1 1 7   6  17 o 16.67000 2.455000  -1.765000      4.910000  
1 1 1 7   6  18 o 23.74000 1.370000  -4.528000      2.740000  
1 1 1 7   6  19 o 7.755000 2.306000  1.510000       4.612000  
1 1 1 7   6  20 o 10.69000 2.368000  -3.420000      4.736000  
1 1 1 7   6  21 o 6.995000 2.330000  1.935000       4.660000  
1 1 1 7   6  22 o 7.788000 2.592000  -1.732000      5.184000  
1 1 1 7   7  0  o 95.24000 0.7060000 1.634000       1.412000  
1 1 1 7   7  1  o 31.85000 0.5685000 0.6243000      1.137000  
1 1 1 7   7  2  o 32.80000 0.6074000 1.130000       1.215000  
1 1 1 7   7  3  o 37.63000 0.5795000 -1.284000      1.159000  
1 1 1 7   7  4  o 41.83000 0.5704000 -0.6245000     1.141000  
1 1 1 7   7  5  o 21.34000 1.001000  0.2846000      2.002000  
1 1 1 7   7  6  o 42.11000 0.6484000 -0.8140000     1.297000  
1 1 1 7   7  7  f 52.58000 0.6266000 -1.204000      1.253000  
1 1 1 7   7  8  o 21.22000 1.262000  -2.104000      2.524000  
1 1 1 7   7  9  o 24.46000 1.187000  4.690000       2.375000  
1 1 1 7   7  10 o 27.11000 1.119000  -1.724000      2.239000  
1 1 1 7   7  11 o 94.10000 0.7685000 -2.325000      1.537000  
1 1 1 7   7  12 o 66.96000 0.7073000 -0.5744000     1.415000  
1 1 1 7   7  13 o 57.69000 0.7481000 -0.5953000     1.496000  
1 1 1 7   7  14 o 40.65000 0.8557000 1.254000       1.711000  
1 1 1 7   7  15 o 121.6000 0.9246000 -2.247000      1.849000  
1 1 1 7   7  16 o 49.06000 0.7651000 -0.7239000     1.530000  
1 1 1 7   7  17 o 20.09000 1.687000  -5.223000      3.373000  
1 1 1 7   7  18 o 14.87000 2.145000  -3.474000      4.290000  
1 1 1 7   7  19 o 7.118000 2.196000  1.312000       4.392000  
1 1 1 7   7  20 o 20.43000 1.554000  2.720000       3.108000  
1 1 1 7   7  21 o 25.41000 1.703000  -1.764000      3.406000  
1 1 1 7   7  22 o 10.30000 4.121000  ?              ?         
1 1 1 7   8  0  o 169.2000 1.384000  3.234000       2.768000  
1 1 1 7   8  1  o 80.72000 0.7258000 0.8777000      1.452000  
1 1 1 7   8  2  o 65.87000 0.5698000 0.1100000      1.140000  
1 1 1 7   8  3  o 155.1000 1.574000  -1.478000      3.148000  
1 1 1 7   8  4  o 121.4000 0.8849000 0.1639000      1.770000  
1 1 1 7   8  5  o 86.13000 0.6857000 1.406000       1.371000  
1 1 1 7   8  6  o 32.58000 0.8071000 1.006000       1.614000  
1 1 1 7   8  7  o 67.29000 0.6387000 -0.1823000     1.277000  
1 1 1 7   8  8  o 21.71000 1.321000  -0.2240000     2.641000  
1 1 1 7   8  9  o 23.70000 1.259000  3.255000       2.518000  
1 1 1 7   8  10 o 33.78000 0.9521000 -4.250000      1.904000  
1 1 1 7   8  11 o 49.44000 0.7500000 0.4685000      1.500000  
1 1 1 7   8  12 o 68.79000 0.7150000 0.4046000      1.430000  
1 1 1 7   8  13 o 47.89000 0.8071000 -1.196000      1.614000  
1 1 1 7   8  14 o 12.44000 2.256000  -7.678000      4.512000  
1 1 1 7   8  15 o 39.25000 0.8909000 -0.6754000     1.782000  
1 1 1 7   8  16 o 19.45000 1.621000  -1.582000      3.241000  
1 1 1 7   8  17 o 8.302000 2.366000  -2.693000      4.733000  
1 1 1 7   8  18 o 7.779000 2.313000  2.187000       4.626000  
1 1 1 7   8  19 o 8.869000 2.374000  -2.487000      4.748000  
1 1 1 7   8  20 o 9.978000 2.857000  -2.965000      5.715000  
1 1 1 7   8  21 o 8.617000 2.516000  3.649000       5.032000  
1 1 1 7   9  0  o 6.812000 1.889000  0.5243000      3.779000  
1 1 1 7   9  1  o 17.58000 1.375000  -0.6646000     2.750000  
1 1 1 7   9  2  o 60.73000 0.6539000 -0.6189000     1.308000  
1 1 1 7   9  3  o 27.61000 0.9283000 0.8303000      1.857000  
1 1 1 7   9  4  o 15.05000 1.843000  -5.741000      3.687000  
1 1 1 7   9  5  o 16.52000 1.584000  -4.491000      3.167000  
1 1 1 7   9  6  f 48.48000 0.6511000 -1.161000      1.302000  
1 1 1 7   9  7  o 31.85000 0.9120000 -0.6453000     1.824000  
1 1 1 7   9  8  o 33.46000 0.9123000 0.5569000E-02  1.825000  
1 1 1 7   9  9  o 40.71000 0.8422000 1.859000       1.684000  
1 1 1 7   9  10 o 70.63000 0.7119000 -0.3915000     1.424000  
1 1 1 7   9  11 o 16.15000 2.092000  -2.020000      4.184000  
1 1 1 7   9  12 o 36.06000 0.9864000 -0.6523000     1.973000  
1 1 1 7   9  13 o 57.42000 0.7344000 -0.1163000E-02 1.469000  
1 1 1 7   9  14 o 17.60000 1.954000  -6.912000      3.909000  
1 1 1 7   9  15 o 12.13000 2.396000  -1.300000      4.793000  
1 1 1 7   9  16 f 13.48000 2.329000  2.947000       4.657000  
1 1 1 7   9  17 o 23.75000 1.314000  -1.300000      2.629000  
1 1 1 7   9  18 o 31.33000 1.047000  -2.349000      2.094000  
1 1 1 7   9  19 o 17.72000 2.138000  5.686000       4.275000  
1 1 1 7   9  20 o 15.84000 2.701000  7.592000       5.401000  
1 1 1 7   9  21 o 10.09000 2.629000  5.480000       5.257000  
1 1 1 7   10 0  o 73.52000 0.7202000 2.097000       1.440000  
1 1 1 7   10 1  o 25.02000 1.080000  -4.326000      2.159000  
1 1 1 7   10 2  f 62.96000 0.6801000 0.9814000      1.360000  
1 1 1 7   10 3  o 81.59000 0.7558000 2.807000       1.512000  
1 1 1 7   10 4  o 51.81000 0.6894000 -0.8346000     1.379000  
1 1 1 7   10 5  o 50.86000 0.6944000 0.2330000E-01  1.389000  
1 1 1 7   10 6  o 51.64000 0.6964000 0.6200000      1.393000  
1 1 1 7   10 7  o 81.15000 0.7000000 -1.180000      1.400000  
1 1 1 7   10 8  o 67.27000 0.6968000 -0.7916000     1.394000  
1 1 1 7   10 9  o 37.53000 0.8911000 -0.9439000     1.782000  
1 1 1 7   10 10 o 16.47000 1.940000  1.801000       3.879000  
1 1 1 7   10 11 o 38.65000 0.9064000 0.8663000      1.813000  
1 1 1 7   10 12 o 24.44000 1.353000  -1.845000      2.705000  
1 1 1 7   10 13 o 23.92000 1.341000  -2.242000      2.683000  
1 1 1 7   10 14 o 11.33000 2.411000  -1.135000      4.822000  
1 1 1 7   10 15 o 9.721000 2.480000  -0.5976000     4.960000  
1 1 1 7   10 16 o 10.06000 2.463000  1.200000       4.926000  
1 1 1 7   10 17 o 8.040000 2.274000  -3.036000      4.548000  
1 1 1 7   10 18 o 16.21000 2.381000  1.918000       4.762000  
1 1 1 7   10 19 o 6.031000 2.094000  -0.2179000     4.188000  
1 1 1 7   10 20 o 7.296000 2.425000  -2.801000      4.850000  
1 1 1 7   10 21 o 6.768000 3.200000  ?              ?         
1 1 1 7   11 0  o 46.02000 0.7104000 -2.415000      1.421000  
1 1 1 7   11 1  o 49.59000 0.6982000 -0.3815000     1.396000  
1 1 1 7   11 2  o 27.77000 1.016000  -1.926000      2.033000  
1 1 1 7   11 3  o 39.59000 0.7553000 -2.008000      1.511000  
1 1 1 7   11 4  o 9.345000 2.320000  -2.602000      4.640000  
1 1 1 7   11 5  o 25.16000 1.127000  -4.659000      2.253000  
1 1 1 7   11 6  o 35.30000 0.8839000 -1.558000      1.768000  
1 1 1 7   11 7  o 24.73000 1.183000  2.562000       2.367000  
1 1 1 7   11 8  o 17.60000 1.703000  -1.584000      3.406000  
1 1 1 7   11 9  o 45.34000 0.8067000 -1.245000      1.613000  
1 1 1 7   11 10 o 26.47000 1.238000  -1.611000      2.475000  
1 1 1 7   11 11 o 42.73000 0.8103000 -1.509000      1.621000  
1 1 1 7   11 12 o 9.874000 2.402000  -3.276000      4.803000  
1 1 1 7   11 13 o 40.02000 0.8464000 -1.592000      1.693000  
1 1 1 7   11 14 f 24.65000 1.299000  0.6642000E-01  2.599000  
1 1 1 7   11 15 o 20.90000 1.594000  -3.776000      3.188000  
1 1 1 7   11 16 o 9.391000 2.437000  0.6208000      4.875000  
1 1 1 7   11 17 o 8.884000 2.426000  2.008000       4.852000  
1 1 1 7   11 18 o 12.73000 2.852000  -6.794000      5.703000  
1 1 1 7   11 19 o 10.44000 2.907000  -2.795000      5.814000  
1 1 1 7   11 20 o 6.486000 2.238000  -2.351000      4.477000  
1 1 1 7   12 0  o 43.05000 0.7540000 -3.044000      1.508000  
1 1 1 7   12 1  o 38.76000 0.8491000 -2.898000      1.698000  
1 1 1 7   12 2  o 37.46000 0.9769000 -2.762000      1.954000  
1 1 1 7   12 3  o 33.99000 0.8944000 -0.2140000     1.789000  
1 1 1 7   12 4  o 11.79000 2.257000  -1.204000      4.514000  
1 1 1 7   12 5  o 42.71000 0.7640000 1.204000       1.528000  
1 1 1 7   12 6  o 39.68000 0.8169000 1.022000       1.634000  
1 1 1 7   12 7  o 63.73000 0.7200000 -0.6998000     1.440000  
1 1 1 7   12 8  o 80.97000 0.7711000 2.713000       1.542000  
1 1 1 7   12 9  o 17.25000 1.712000  0.6529000      3.425000  
1 1 1 7   12 10 o 18.50000 1.675000  2.004000       3.350000  
1 1 1 7   12 11 o 30.17000 1.110000  3.012000       2.219000  
1 1 1 7   12 12 o 24.31000 1.433000  1.207000       2.866000  
1 1 1 7   12 13 o 21.11000 1.466000  -2.413000      2.932000  
1 1 1 7   12 14 o 9.751000 2.441000  -0.9739000     4.882000  
1 1 1 7   12 15 o 16.55000 1.853000  7.306000       3.706000  
1 1 1 7   12 16 o 7.668000 2.363000  -0.9150000     4.727000  
1 1 1 7   12 17 o 15.41000 2.758000  -10.84000      5.517000  
1 1 1 7   12 18 o 6.588000 2.242000  -0.6648000     4.483000  
1 1 1 7   12 19 o 9.304000 2.713000  3.502000       5.425000  
1 1 1 7   12 20 o 6.248000 2.194000  -2.778000      4.388000  
1 1 1 7   13 0  o 21.30000 1.458000  -2.351000      2.916000  
1 1 1 7   13 1  o 11.32000 2.974000  ?              ?         
1 1 1 7   13 2  o 16.27000 1.761000  -2.218000      3.522000  
1 1 1 7   13 3  o 14.05000 2.157000  -1.701000      4.314000  
1 1 1 7   13 4  o 14.20000 1.892000  0.4261000      3.784000  
1 1 1 7   13 5  o 12.27000 2.240000  -0.6597000     4.480000  
1 1 1 7   13 6  o 28.28000 0.9960000 -0.7424000     1.992000  
1 1 1 7   13 7  o 12.82000 2.921000  ?              ?         
1 1 1 7   13 8  o 25.56000 1.093000  -0.8399000     2.186000  
1 1 1 7   13 9  f 30.31000 0.9648000 -0.1906000     1.930000  
1 1 1 7   13 10 o 21.11000 1.332000  1.326000       2.665000  
1 1 1 7   13 11 o 11.69000 2.296000  -1.929000      4.592000  
1 1 1 7   13 12 o 21.44000 1.448000  2.789000       2.895000  
1 1 1 7   13 13 o 34.05000 0.9816000 3.209000       1.963000  
1 1 1 7   13 14 o 10.80000 2.333000  -5.411000      4.666000  
1 1 1 7   13 15 o 7.537000 2.394000  -0.9726000     4.789000  
1 1 1 7   13 16 o 11.17000 3.481000  ?              ?         
1 1 1 7   13 17 f 13.33000 2.626000  -10.19000      5.251000  
1 1 1 7   13 18 o 19.29000 2.460000  3.689000       4.919000  
1 1 1 7   13 19 o 10.82000 2.852000  4.828000       5.704000  
1 1 1 7   14 0  f 10.45000 2.086000  3.091000       4.172000  
1 1 1 7   14 1  o 17.76000 1.528000  -4.479000      3.056000  
1 1 1 7   14 2  o 29.27000 1.052000  1.728000       2.104000  
1 1 1 7   14 3  o 13.80000 2.066000  3.432000       4.131000  
1 1 1 7   14 4  o 35.99000 0.8715000 -1.453000      1.743000  
1 1 1 7   14 5  o 21.47000 1.229000  -0.6217000     2.458000  
1 1 1 7   14 6  o 11.18000 2.225000  -2.227000      4.450000  
1 1 1 7   14 7  o 21.02000 1.334000  4.357000       2.668000  
1 1 1 7   14 8  o 39.68000 0.7915000 1.262000       1.583000  
1 1 1 7   14 9  o 25.82000 1.062000  -0.1738000E-01 2.123000  
1 1 1 7   14 10 f 23.62000 1.147000  0.9595000      2.294000  
1 1 1 7   14 11 o 9.741000 2.146000  5.107000       4.293000  
1 1 1 7   14 12 o 24.13000 1.250000  2.459000       2.499000  
1 1 1 7   14 13 o 14.57000 2.384000  1.407000       4.768000  
1 1 1 7   14 14 o 7.494000 3.296000  ?              ?         
1 1 1 7   14 15 o 16.05000 3.083000  ?              ?         
1 1 1 7   14 16 o 6.904000 3.139000  ?              ?         
1 1 1 7   14 18 o 4.681000 2.345000  ?              ?         
1 1 1 7   14 19 o 5.813000 2.807000  ?              ?         
1 1 1 7   15 0  o 24.17000 1.002000  0.9344000      2.003000  
1 1 1 7   15 1  o 20.34000 1.219000  -4.460000      2.439000  
1 1 1 7   15 2  o 7.079000 2.089000  -4.096000      4.179000  
1 1 1 7   15 3  o 7.720000 2.199000  1.576000       4.399000  
1 1 1 7   15 4  o 15.52000 1.842000  -1.601000      3.683000  
1 1 1 7   15 5  o 11.42000 2.150000  3.226000       4.300000  
1 1 1 7   15 6  o 14.05000 1.853000  -1.864000      3.707000  
1 1 1 7   15 7  o 21.90000 1.294000  -2.015000      2.587000  
1 1 1 7   15 8  o 13.88000 2.044000  -0.2899000     4.089000  
1 1 1 7   15 9  o 11.40000 2.299000  1.352000       4.598000  
1 1 1 7   15 10 f 13.64000 2.130000  -4.809000      4.261000  
1 1 1 7   15 11 o 21.19000 1.541000  -3.023000      3.081000  
1 1 1 7   15 12 o 12.21000 3.698000  ?              ?         
1 1 1 7   15 13 o 5.759000 2.765000  ?              ?         
1 1 1 7   15 14 o 13.34000 3.394000  ?              ?         
1 1 1 7   15 15 o 6.957000 3.146000  ?              ?         
1 1 1 7   15 16 o 7.579000 3.306000  ?              ?         
1 1 1 7   15 17 o 11.02000 3.710000  ?              ?         
1 1 1 7   15 18 o 4.939000 2.467000  ?              ?         
1 1 1 7   16 0  o 22.72000 1.112000  -2.175000      2.224000  
1 1 1 7   16 1  o 8.245000 1.982000  -6.149000      3.965000  
1 1 1 7   16 2  o 7.563000 2.213000  0.1256000      4.425000  
1 1 1 7   16 3  o 9.189000 2.207000  -4.861000      4.413000  
1 1 1 7   16 4  o 7.486000 2.228000  -1.142000      4.456000  
1 1 1 7   16 5  o 13.19000 2.243000  -0.6345000     4.486000  
1 1 1 7   16 6  o 8.153000 2.283000  -3.976000      4.566000  
1 1 1 7   16 7  o 7.913000 2.377000  0.1048000      4.754000  
1 1 1 7   16 8  o 8.303000 2.363000  -4.826000      4.726000  
1 1 1 7   16 9  o 8.632000 2.470000  -3.784000      4.940000  
1 1 1 7   16 10 o 10.22000 2.500000  4.071000       5.001000  
1 1 1 7   16 11 o 10.31000 3.716000  ?              ?         
1 1 1 7   16 12 o 9.608000 3.593000  ?              ?         
1 1 1 7   16 13 o 8.412000 3.449000  ?              ?         
1 1 1 7   16 14 o 5.220000 2.564000  ?              ?         
1 1 1 7   16 15 o 5.615000 2.735000  ?              ?         
1 1 1 7   16 16 o 5.202000 2.579000  ?              ?         
1 1 1 7   17 0  o 7.885000 2.211000  -2.316000      4.422000  
1 1 1 7   17 1  o 14.74000 1.945000  -6.041000      3.890000  
1 1 1 7   17 2  o 8.236000 2.426000  2.698000       4.852000  
1 1 1 7   17 3  o 9.138000 2.272000  3.751000       4.544000  
1 1 1 7   17 4  o 14.87000 2.253000  -4.819000      4.507000  
1 1 1 7   17 5  o 8.066000 2.311000  1.417000       4.622000  
1 1 1 7   17 6  o 7.319000 2.291000  -1.660000      4.582000  
1 1 1 7   17 7  o 7.954000 2.355000  -3.188000      4.709000  
1 1 1 7   17 8  o 6.196000 2.905000  ?              ?         
1 1 1 7   17 9  o 6.730000 3.072000  ?              ?         
1 1 1 7   17 10 o 11.43000 3.661000  ?              ?         
1 1 1 7   17 11 o 9.950000 3.621000  ?              ?         
1 1 1 7   17 12 f 6.286000 2.939000  ?              ?         
1 1 1 7   17 13 o 7.340000 3.298000  ?              ?         
1 1 1 7   17 14 o 4.561000 2.300000  ?              ?         
1 1 1 7   18 0  o 7.653000 2.351000  -1.602000      4.703000  
1 1 1 7   18 1  o 7.594000 2.373000  0.9453000      4.746000  
1 1 1 7   18 2  o 8.678000 2.556000  -0.7587000     5.111000  
1 1 1 7   18 3  o 10.82000 2.785000  2.972000       5.569000  
1 1 1 7   18 4  o 7.191000 3.149000  ?              ?         
1 1 1 7   18 5  o 6.546000 2.981000  ?              ?         
1 1 1 7   18 6  o 12.94000 3.433000  ?              ?         
1 1 1 7   18 7  o 8.567000 3.451000  ?              ?         
1 1 1 7   18 8  o 9.006000 3.502000  ?              ?         
1 1 1 7   18 10 o 9.292000 3.545000  ?              ?         
1 1 1 7   18 12 o 5.134000 2.552000  ?              ?         
1 1 1 7   19 0  o 10.20000 2.569000  -4.977000      5.139000  
1 1 1 7   19 1  o 7.646000 2.387000  3.552000       4.775000  
1 1 1 7   19 2  o 7.512000 2.391000  2.820000       4.783000  
1 1 1 7   19 3  o 5.836000 2.023000  -0.3064000E-01 4.047000  
1 1 1 7   19 4  f 5.030000 2.462000  ?              ?         
1 1 1 7   19 5  o 10.92000 3.553000  ?              ?         
1 1 1 7   19 6  o 9.163000 3.439000  ?              ?         
1 1 1 7   19 7  o 8.544000 3.444000  ?              ?         
1 1 1 7   19 8  o 7.934000 3.375000  ?              ?         
1 1 1 7   19 9  o 6.338000 3.008000  ?              ?         
1 1 1 8   0  0  o 168.4000 1.683000  0.000000       0.000000  
1 1 1 8   0  1  o 15.64000 2.222000  0.000000       0.000000  
1 1 1 8   0  2  o 185.7000 1.855000  0.000000       0.000000  
1 1 1 8   0  3  o 169.0000 1.692000  0.000000       0.000000  
1 1 1 8   0  4  o 46.33000 0.7444000 0.000000       0.000000  
1 1 1 8   0  5  o 29.20000 1.002000  0.000000       0.000000  
1 1 1 8   0  6  o 101.5000 1.072000  0.000000       0.000000  
1 1 1 8   0  7  o 73.42000 0.8872000 0.000000       0.000000  
1 1 1 8   0  8  f 70.73000 0.8790000 0.000000       0.000000  
1 1 1 8   0  9  o 44.42000 0.9578000 0.000000       0.000000  
1 1 1 8   0  10 o 54.19000 0.9283000 0.000000       0.000000  
1 1 1 8   0  11 o 165.6000 1.680000  0.000000       0.000000  
1 1 1 8   0  12 o 150.9000 1.551000  0.000000       0.000000  
1 1 1 8   0  13 o 16.13000 2.937000  0.000000       0.000000  
1 1 1 8   0  14 o 85.64000 1.058000  0.000000       0.000000  
1 1 1 8   0  15 o 26.14000 1.819000  0.000000       0.000000  
1 1 1 8   0  16 o 3.879000 2.756000  0.000000       0.000000  
1 1 1 8   0  17 o 64.13000 0.9936000 0.000000       0.000000  
1 1 1 8   0  18 o 5.081000 3.331000  0.000000       0.000000  
1 1 1 8   0  19 o 27.89000 1.507000  0.000000       0.000000  
1 1 1 8   0  20 o 22.89000 1.796000  0.000000       0.000000  
1 1 1 8   0  21 o 5.620000 3.533000  0.000000       0.000000  
1 1 1 8   1  0  o 231.3000 1.629000  2.989000       3.257000  
1 1 1 8   1  1  o 108.4000 0.7857000 -1.397000      1.571000  
1 1 1 8   1  2  o 126.5000 1.286000  -0.9852000     2.572000  
1 1 1 8   1  3  o 102.4000 0.7580000 3.218000       1.516000  
1 1 1 8   1  4  o 77.30000 0.6174000 -0.7472000     1.235000  
1 1 1 8   1  5  o 69.60000 0.5814000 0.5015000      1.163000  
1 1 1 8   1  6  o 59.01000 0.5558000 -0.9656000     1.112000  
1 1 1 8   1  7  o 69.87000 0.6118000 -0.8461000     1.224000  
1 1 1 8   1  8  o 73.21000 0.6281000 0.5341000E-04  1.256000  
1 1 1 8   1  9  o 40.75000 0.6940000 -0.1165000     1.388000  
1 1 1 8   1  10 o 33.45000 0.8101000 3.537000       1.620000  
1 1 1 8   1  11 f 28.99000 0.9922000 1.550000       1.984000  
1 1 1 8   1  12 o 74.82000 0.6823000 -2.307000      1.365000  
1 1 1 8   1  13 o 78.14000 0.7084000 0.1969000      1.417000  
1 1 1 8   1  14 o 65.50000 0.7140000 -0.7170000     1.428000  
1 1 1 8   1  15 o 83.04000 0.7483000 -0.3448000     1.497000  
1 1 1 8   1  16 o 79.83000 0.7426000 -3.489000      1.485000  
1 1 1 8   1  17 o 48.43000 0.7641000 2.131000       1.528000  
1 1 1 8   1  18 o 45.13000 0.7935000 0.5180000      1.587000  
1 1 1 8   1  19 o 39.62000 0.8808000 1.463000       1.762000  
1 1 1 8   1  20 o 10.95000 2.127000  -7.326000      4.254000  
1 1 1 8   1  21 o 17.17000 1.715000  -0.7920000     3.430000  
1 1 1 8   2  0  o 200.0000 1.410000  -5.199000      2.821000  
1 1 1 8   2  1  o 153.0000 1.085000  0.2788000      2.170000  
1 1 1 8   2  2  o 171.6000 1.215000  -3.206000      2.431000  
1 1 1 8   2  3  o 48.34000 0.7433000 2.398000       1.487000  
1 1 1 8   2  4  o 179.9000 1.276000  0.8372000      2.552000  
1 1 1 8   2  5  o 134.1000 0.9655000 -3.417000      1.931000  
1 1 1 8   2  6  o 48.19000 0.5708000 -2.228000      1.142000  
1 1 1 8   2  7  o 94.76000 1.028000  2.541000       2.057000  
1 1 1 8   2  8  o 123.1000 0.9045000 2.007000       1.809000  
1 1 1 8   2  9  o 106.7000 0.8060000 2.255000       1.612000  
1 1 1 8   2  10 o 120.5000 0.8936000 -0.6387000     1.787000  
1 1 1 8   2  11 o 64.26000 0.6575000 -0.9078000E-01 1.315000  
1 1 1 8   2  12 o 32.77000 0.9188000 0.2439000      1.838000  
1 1 1 8   2  13 o 81.10000 0.7160000 0.1138000      1.432000  
1 1 1 8   2  14 f 120.9000 0.9194000 1.082000       1.839000  
1 1 1 8   2  15 o 21.62000 1.578000  -5.226000      3.155000  
1 1 1 8   2  16 o 64.69000 0.7236000 -1.332000      1.447000  
1 1 1 8   2  17 o 57.53000 0.7145000 -0.9029000     1.429000  
1 1 1 8   2  18 o 19.88000 1.623000  -1.647000      3.246000  
1 1 1 8   2  19 o 9.640000 2.332000  -3.618000      4.664000  
1 1 1 8   2  20 o 8.511000 2.333000  2.711000       4.666000  
1 1 1 8   2  21 o 13.71000 2.219000  3.948000       4.438000  
1 1 1 8   2  22 o 11.28000 4.336000  ?              ?         
1 1 1 8   3  0  o 82.63000 0.6234000 -0.2036000     1.247000  
1 1 1 8   3  1  o 86.16000 0.6441000 -0.5257000     1.288000  
1 1 1 8   3  2  o 107.4000 0.7828000 2.218000       1.566000  
1 1 1 8   3  3  o 26.38000 0.7114000 -0.8682000     1.423000  
1 1 1 8   3  4  o 73.03000 0.6012000 1.255000       1.202000  
1 1 1 8   3  5  o 56.42000 0.5594000 -0.5464000     1.119000  
1 1 1 8   3  6  o 50.06000 0.5648000 0.3201000      1.130000  
1 1 1 8   3  7  o 49.57000 0.5854000 0.2830000      1.171000  
1 1 1 8   3  8  o 82.59000 0.6671000 0.6797000      1.334000  
1 1 1 8   3  9  o 49.74000 0.6556000 -0.8861000     1.311000  
1 1 1 8   3  10 o 18.02000 1.549000  2.467000       3.099000  
1 1 1 8   3  11 o 39.14000 0.8006000 2.261000       1.601000  
1 1 1 8   3  12 o 56.48000 0.6987000 0.5533000      1.397000  
1 1 1 8   3  13 o 23.16000 2.029000  -5.394000      4.058000  
1 1 1 8   3  14 o 105.0000 0.8378000 -0.2886000     1.676000  
1 1 1 8   3  15 o 41.49000 0.8661000 -3.090000      1.732000  
1 1 1 8   3  16 o 27.78000 1.190000  6.234000       2.381000  
1 1 1 8   3  17 o 59.83000 0.6954000 -0.7318000     1.391000  
1 1 1 8   3  18 o 29.97000 1.031000  1.828000       2.061000  
1 1 1 8   3  19 o 27.67000 1.108000  -0.6152000     2.215000  
1 1 1 8   3  20 o 10.94000 2.428000  2.092000       4.855000  
1 1 1 8   3  21 o 7.808000 2.334000  -2.270000      4.667000  
1 1 1 8   3  22 o 7.136000 3.410000  ?              ?         
1 1 1 8   4  0  o 75.28000 0.5837000 -1.360000      1.167000  
1 1 1 8   4  1  o 55.74000 0.5062000 -1.642000      1.012000  
1 1 1 8   4  2  o 100.2000 0.7376000 1.258000       1.475000  
1 1 1 8   4  3  f 95.98000 0.7155000 1.911000       1.431000  
1 1 1 8   4  4  o 188.7000 1.337000  3.941000       2.673000  
1 1 1 8   4  5  o 163.2000 1.164000  -2.040000      2.328000  
1 1 1 8   4  6  o 93.81000 0.7212000 -0.7779000     1.442000  
1 1 1 8   4  7  o 106.6000 0.7975000 1.387000       1.595000  
1 1 1 8   4  8  o 39.38000 0.8475000 -0.3734000     1.695000  
1 1 1 8   4  9  o 13.12000 2.044000  2.949000       4.087000  
1 1 1 8   4  10 o 65.20000 0.6525000 0.6668000E-02  1.305000  
1 1 1 8   4  11 o 85.83000 0.7204000 1.109000       1.441000  
1 1 1 8   4  12 o 37.67000 0.8697000 -1.813000      1.739000  
1 1 1 8   4  13 o 93.22000 0.7769000 -0.9031000     1.554000  
1 1 1 8   4  14 o 100.3000 0.8091000 2.182000       1.618000  
1 1 1 8   4  15 o 48.37000 0.7842000 1.019000       1.568000  
1 1 1 8   4  16 f 18.95000 1.795000  5.355000       3.590000  
1 1 1 8   4  17 o 20.25000 1.562000  -0.3887000     3.123000  
1 1 1 8   4  18 o 17.78000 1.748000  0.1065000      3.497000  
1 1 1 8   4  19 o 12.76000 2.531000  -2.870000      5.061000  
1 1 1 8   4  20 o 5.425000 1.902000  1.453000       3.804000  
1 1 1 8   4  21 o 7.627000 2.528000  -0.8249000     5.055000  
1 1 1 8   4  22 o 7.390000 3.575000  ?              ?         
1 1 1 8   5  0  o 197.9000 1.401000  3.377000       2.801000  
1 1 1 8   5  1  o 89.48000 0.6736000 0.8463000      1.347000  
1 1 1 8   5  2  f 4.634000 1.514000  -0.7164000E-02 3.027000  
1 1 1 8   5  3  o 33.66000 0.6090000 -1.330000      1.218000  
1 1 1 8   5  4  o 51.51000 0.5611000 -1.139000      1.122000  
1 1 1 8   5  5  o 25.19000 0.8778000 0.6598000      1.756000  
1 1 1 8   5  6  o 33.34000 0.7289000 2.559000       1.458000  
1 1 1 8   5  7  f 31.09000 0.8294000 2.163000       1.659000  
1 1 1 8   5  8  o 31.83000 0.8407000 0.4623000      1.681000  
1 1 1 8   5  9  o 42.96000 0.7258000 0.6987000      1.452000  
1 1 1 8   5  10 o 18.77000 1.519000  -2.390000      3.038000  
1 1 1 8   5  11 o 20.33000 1.459000  -1.593000      2.919000  
1 1 1 8   5  12 o 65.08000 0.6949000 -0.6576000     1.390000  
1 1 1 8   5  13 o 62.66000 0.7296000 -1.317000      1.459000  
1 1 1 8   5  14 o 7.456000 2.271000  -1.600000      4.542000  
1 1 1 8   5  15 o 12.05000 2.405000  -4.045000      4.810000  
1 1 1 8   5  16 o 34.32000 0.9474000 3.177000       1.895000  
1 1 1 8   5  17 o 51.54000 0.7448000 1.809000       1.490000  
1 1 1 8   5  18 o 28.15000 1.106000  -0.7390000     2.212000  
1 1 1 8   5  19 o 6.776000 2.085000  3.244000       4.169000  
1 1 1 8   5  20 o 14.00000 2.414000  -2.643000      4.828000  
1 1 1 8   5  21 o 7.417000 2.445000  -1.636000      4.889000  
1 1 1 8   6  0  o 97.44000 0.7189000 1.206000       1.438000  
1 1 1 8   6  1  o 63.74000 0.5437000 0.3886000      1.087000  
1 1 1 8   6  2  o 91.00000 0.6870000 -0.2631000     1.374000  
1 1 1 8   6  3  o 142.2000 1.020000  1.225000       2.041000  
1 1 1 8   6  4  o 47.81000 0.5541000 -0.1569000     1.108000  
1 1 1 8   6  5  o 17.13000 1.330000  -0.4951000     2.660000  
1 1 1 8   6  6  o 91.30000 0.7133000 -0.9204000     1.427000  
1 1 1 8   6  7  f 76.18000 0.6568000 -0.8743000     1.314000  
1 1 1 8   6  8  o 13.05000 2.059000  -0.3430000     4.117000  
1 1 1 8   6  9  o 68.05000 0.6724000 -1.492000      1.345000  
1 1 1 8   6  10 o 20.92000 1.428000  2.802000       2.855000  
1 1 1 8   6  11 o 95.28000 0.7759000 -0.1214000E-01 1.552000  
1 1 1 8   6  12 o 69.07000 0.7010000 0.5622000E-01  1.402000  
1 1 1 8   6  13 o 100.1000 0.8097000 1.061000       1.619000  
1 1 1 8   6  14 o 69.82000 0.7151000 0.1940000      1.430000  
1 1 1 8   6  15 o 19.27000 1.718000  5.119000       3.437000  
1 1 1 8   6  16 o 38.62000 0.8784000 -2.117000      1.757000  
1 1 1 8   6  17 o 24.47000 1.274000  1.278000       2.547000  
1 1 1 8   6  18 o 19.37000 1.656000  1.479000       3.313000  
1 1 1 8   6  19 o 11.94000 2.126000  -8.212000      4.252000  
1 1 1 8   6  20 o 11.55000 3.010000  1.123000       6.020000  
1 1 1 8   6  21 o 9.944000 2.714000  3.551000       5.428000  
1 1 1 8   7  0  o 76.06000 0.6033000 1.394000       1.207000  
1 1 1 8   7  1  o 23.01000 0.7543000 1.393000       1.509000  
1 1 1 8   7  2  o 82.49000 0.6476000 0.2802000      1.295000  
1 1 1 8   7  3  o 56.03000 0.5595000 0.6952000      1.119000  
1 1 1 8   7  4  o 69.90000 0.6032000 2.340000       1.206000  
1 1 1 8   7  5  o 15.05000 1.655000  -4.609000      3.309000  
1 1 1 8   7  6  o 10.75000 2.131000  3.148000       4.262000  
1 1 1 8   7  7  o 37.54000 0.7609000 -0.5636000     1.522000  
1 1 1 8   7  8  o 10.40000 2.350000  1.257000       4.700000  
1 1 1 8   7  9  o 20.56000 1.483000  1.322000       2.967000  
1 1 1 8   7  10 o 45.76000 0.7839000 -1.191000      1.568000  
1 1 1 8   7  11 o 9.590000 2.511000  -0.4192000     5.021000  
1 1 1 8   7  12 o 35.05000 1.022000  1.026000       2.043000  
1 1 1 8   7  13 o 47.48000 0.8014000 -0.2263000     1.603000  
1 1 1 8   7  14 o 55.29000 0.7427000 0.5893000      1.485000  
1 1 1 8   7  15 o 31.20000 1.045000  -2.426000      2.090000  
1 1 1 8   7  16 o 31.59000 0.9728000 -0.9616000     1.946000  
1 1 1 8   7  17 o 33.68000 0.9645000 -0.9483000     1.929000  
1 1 1 8   7  18 o 18.69000 1.688000  1.174000       3.376000  
1 1 1 8   7  19 o 6.343000 2.148000  1.719000       4.296000  
1 1 1 8   7  20 o 13.05000 2.934000  1.162000       5.867000  
1 1 1 8   7  21 o 6.890000 2.300000  -1.886000      4.601000  
1 1 1 8   8  0  o 32.22000 0.7804000 -1.413000      1.561000  
1 1 1 8   8  1  o 9.435000 1.836000  2.392000       3.672000  
1 1 1 8   8  2  o 35.49000 0.6568000 0.3302000      1.314000  
1 1 1 8   8  3  o 71.71000 0.6108000 -0.1733000     1.222000  
1 1 1 8   8  4  o 29.06000 0.8236000 -1.138000      1.647000  
1 1 1 8   8  5  o 56.40000 0.5996000 -1.994000      1.199000  
1 1 1 8   8  6  o 86.64000 0.7025000 -0.9739000     1.405000  
1 1 1 8   8  7  o 53.83000 0.6677000 -1.774000      1.335000  
1 1 1 8   8  8  o 123.4000 0.9199000 -0.2680000     1.840000  
1 1 1 8   8  9  o 24.22000 1.257000  -1.041000      2.514000  
1 1 1 8   8  10 o 52.04000 0.7246000 -1.269000      1.449000  
1 1 1 8   8  11 o 56.34000 0.7266000 -2.783000      1.453000  
1 1 1 8   8  12 o 77.70000 0.7266000 -1.863000      1.453000  
1 1 1 8   8  13 o 55.59000 0.7414000 -0.3133000     1.483000  
1 1 1 8   8  14 o 34.17000 0.9752000 -1.580000      1.950000  
1 1 1 8   8  15 o 20.19000 1.552000  0.2353000      3.103000  
1 1 1 8   8  16 o 14.82000 2.140000  -3.722000      4.280000  
1 1 1 8   8  17 o 19.84000 1.575000  0.3846000      3.150000  
1 1 1 8   8  18 o 10.94000 2.112000  -7.505000      4.224000  
1 1 1 8   8  19 o 6.642000 2.266000  0.7506000E-02  4.532000  
1 1 1 8   8  20 o 5.550000 1.953000  0.9356000      3.907000  
1 1 1 8   8  21 o 7.560000 2.433000  1.325000       4.866000  
1 1 1 8   9  0  o 31.27000 0.8769000 -1.534000      1.754000  
1 1 1 8   9  1  o 27.30000 1.002000  1.317000       2.003000  
1 1 1 8   9  2  o 54.43000 0.6514000 0.8407000      1.303000  
1 1 1 8   9  3  o 42.75000 0.6544000 -1.452000      1.309000  
1 1 1 8   9  4  f 23.16000 1.121000  -1.141000      2.241000  
1 1 1 8   9  5  o 58.27000 0.6390000 1.710000       1.278000  
1 1 1 8   9  6  o 46.64000 0.7037000 -1.626000      1.407000  
1 1 1 8   9  7  o 27.00000 1.114000  -3.019000      2.228000  
1 1 1 8   9  8  o 32.36000 1.125000  -3.644000      2.250000  
1 1 1 8   9  9  o 22.38000 1.445000  -0.6061000     2.889000  
1 1 1 8   9  10 o 35.07000 0.9606000 -2.734000      1.921000  
1 1 1 8   9  11 o 25.60000 1.311000  0.6902000      2.621000  
1 1 1 8   9  12 o 10.49000 2.510000  0.5279000      5.021000  
1 1 1 8   9  13 o 28.59000 1.120000  -1.653000      2.239000  
1 1 1 8   9  14 o 15.76000 2.266000  6.807000       4.531000  
1 1 1 8   9  15 o 25.44000 1.258000  -0.1257000     2.515000  
1 1 1 8   9  16 o 23.37000 1.344000  -2.565000      2.689000  
1 1 1 8   9  17 o 25.90000 1.208000  -0.3243000     2.416000  
1 1 1 8   9  18 o 10.77000 2.751000  -6.493000      5.501000  
1 1 1 8   9  19 o 9.921000 2.744000  1.268000       5.488000  
1 1 1 8   9  20 o 8.454000 2.632000  -0.7692000     5.264000  
1 1 1 8   9  21 o 6.948000 3.203000  ?              ?         
1 1 1 8   10 0  o 38.16000 0.7600000 -2.256000      1.520000  
1 1 1 8   10 1  o 52.56000 0.6859000 -1.459000      1.372000  
1 1 1 8   10 2  o 8.887000 2.153000  0.8599000      4.306000  
1 1 1 8   10 3  f 39.67000 0.7561000 -0.3991000     1.512000  
1 1 1 8   10 4  o 35.96000 0.8622000 0.7376000E-01  1.724000  
1 1 1 8   10 5  o 59.94000 0.6539000 -2.574000      1.308000  
1 1 1 8   10 6  o 23.59000 1.240000  4.538000       2.479000  
1 1 1 8   10 7  o 8.458000 2.282000  -1.457000      4.563000  
1 1 1 8   10 8  o 111.1000 0.8554000 0.5574000      1.711000  
1 1 1 8   10 9  o 53.43000 0.7255000 -0.4110000     1.451000  
1 1 1 8   10 10 o 40.45000 0.8622000 -5.104000      1.724000  
1 1 1 8   10 11 o 23.97000 1.280000  1.319000       2.560000  
1 1 1 8   10 12 o 66.32000 0.7025000 0.6684000      1.405000  
1 1 1 8   10 13 o 37.65000 0.9113000 1.893000       1.823000  
1 1 1 8   10 14 o 22.89000 1.356000  3.392000       2.712000  
1 1 1 8   10 15 o 38.81000 0.8823000 0.7558000      1.765000  
1 1 1 8   10 16 o 12.81000 2.342000  -2.814000      4.685000  
1 1 1 8   10 17 o 19.59000 2.599000  2.659000       5.197000  
1 1 1 8   10 18 o 20.64000 2.295000  3.894000       4.590000  
1 1 1 8   10 19 o 9.015000 2.708000  -2.383000      5.416000  
1 1 1 8   10 20 o 6.953000 2.355000  -1.159000      4.711000  
1 1 1 8   11 0  o 71.39000 0.7286000 -0.8755000     1.457000  
1 1 1 8   11 1  o 42.94000 0.8111000 -1.650000      1.622000  
1 1 1 8   11 2  o 52.55000 0.7377000 -3.434000      1.475000  
1 1 1 8   11 3  o 52.41000 0.7673000 2.137000       1.535000  
1 1 1 8   11 4  o 30.00000 0.9819000 -3.316000      1.964000  
1 1 1 8   11 5  o 14.26000 2.017000  -0.9582000E-01 4.035000  
1 1 1 8   11 6  o 11.92000 2.293000  -2.373000      4.587000  
1 1 1 8   11 7  o 29.09000 0.9870000 -0.9395000E-01 1.974000  
1 1 1 8   11 8  o 15.54000 1.916000  0.8571000      3.831000  
1 1 1 8   11 9  o 8.653000 2.299000  -1.828000      4.599000  
1 1 1 8   11 10 o 11.36000 2.447000  1.253000       4.894000  
1 1 1 8   11 11 o 6.089000 1.985000  -2.032000      3.971000  
1 1 1 8   11 12 o 13.05000 2.338000  2.488000       4.675000  
1 1 1 8   11 13 o 22.09000 1.564000  -5.020000      3.127000  
1 1 1 8   11 14 o 8.195000 2.323000  -1.007000      4.646000  
1 1 1 8   11 15 o 20.99000 1.449000  -4.269000      2.898000  
1 1 1 8   11 16 o 9.735000 2.923000  -1.314000      5.847000  
1 1 1 8   11 17 o 8.309000 2.651000  -1.890000      5.303000  
1 1 1 8   11 18 o 8.288000 2.599000  1.308000       5.198000  
1 1 1 8   11 19 o 9.765000 2.765000  -5.282000      5.531000  
1 1 1 8   11 20 o 9.841000 2.659000  6.347000       5.318000  
1 1 1 8   12 0  o 52.67000 0.7369000 -1.655000      1.474000  
1 1 1 8   12 1  o 57.63000 0.7263000 -2.426000      1.453000  
1 1 1 8   12 2  f 45.98000 0.7539000 -3.598000      1.508000  
1 1 1 8   12 3  o 21.09000 1.485000  2.396000       2.970000  
1 1 1 8   12 4  o 21.47000 1.268000  0.9481000      2.537000  
1 1 1 8   12 5  o 13.25000 2.124000  0.4053000      4.248000  
1 1 1 8   12 6  o 12.00000 2.181000  3.760000       4.362000  
1 1 1 8   12 7  o 10.13000 2.150000  -6.004000      4.300000  
1 1 1 8   12 8  o 36.40000 0.8269000 -1.678000      1.654000  
1 1 1 8   12 9  o 39.23000 0.7864000 1.036000       1.573000  
1 1 1 8   12 10 o 35.62000 0.8651000 0.2300000      1.730000  
1 1 1 8   12 11 o 21.51000 1.447000  -1.819000      2.893000  
1 1 1 8   12 12 o 11.92000 2.431000  -0.7857000     4.861000  
1 1 1 8   12 13 o 17.38000 1.742000  -1.201000      3.484000  
1 1 1 8   12 14 o 6.689000 2.119000  -0.7138000     4.238000  
1 1 1 8   12 15 o 8.984000 2.784000  -0.9962000     5.567000  
1 1 1 8   12 16 o 7.207000 2.423000  -2.098000      4.846000  
1 1 1 8   12 17 o 7.871000 2.519000  1.476000       5.038000  
1 1 1 8   12 18 o 8.739000 2.732000  -0.9165000E-01 5.464000  
1 1 1 8   12 19 o 7.059000 2.389000  -2.052000      4.779000  
1 1 1 8   12 20 o 9.022000 3.831000  ?              ?         
1 1 1 8   13 0  o 38.35000 0.8253000 -1.359000      1.651000  
1 1 1 8   13 1  o 21.24000 1.299000  -0.4161000     2.599000  
1 1 1 8   13 2  o 8.454000 2.271000  0.2727000      4.541000  
1 1 1 8   13 3  o 24.73000 1.174000  1.685000       2.347000  
1 1 1 8   13 4  o 23.74000 1.162000  2.562000       2.325000  
1 1 1 8   13 5  o 30.00000 0.9488000 -0.7525000     1.898000  
1 1 1 8   13 6  o 5.639000 1.853000  -2.277000      3.706000  
1 1 1 8   13 7  o 27.62000 0.9978000 -0.8603000     1.996000  
1 1 1 8   13 8  o 27.78000 1.033000  -2.131000      2.067000  
1 1 1 8   13 9  f 7.684000 2.091000  4.040000       4.183000  
1 1 1 8   13 10 o 7.722000 2.168000  2.223000       4.335000  
1 1 1 8   13 11 o 16.40000 1.813000  -2.163000      3.627000  
1 1 1 8   13 12 o 26.43000 1.191000  -5.467000      2.382000  
1 1 1 8   13 13 o 8.067000 2.403000  0.7125000E-01  4.805000  
1 1 1 8   13 14 o 7.270000 3.348000  ?              ?         
1 1 1 8   13 15 o 6.489000 2.216000  -0.2351000     4.432000  
1 1 1 8   13 16 o 5.998000 2.092000  -0.9151000E-01 4.183000  
1 1 1 8   13 17 o 9.729000 2.792000  3.601000       5.585000  
1 1 1 8   13 18 o 6.859000 2.291000  1.852000       4.583000  
1 1 1 8   13 19 o 8.226000 2.674000  -3.063000      5.349000  
1 1 1 8   14 0  o 7.066000 2.081000  -0.2158000     4.163000  
1 1 1 8   14 1  o 34.06000 0.8539000 1.336000       1.708000  
1 1 1 8   14 2  o 6.670000 2.049000  -0.8208000     4.098000  
1 1 1 8   14 3  o 53.77000 0.7287000 0.4338000      1.457000  
1 1 1 8   14 4  o 25.77000 1.078000  -1.014000      2.155000  
1 1 1 8   14 5  o 41.88000 0.7502000 -0.4099000E-01 1.500000  
1 1 1 8   14 6  o 27.74000 1.000000  -1.457000      2.000000  
1 1 1 8   14 7  o 17.20000 1.713000  6.446000       3.426000  
1 1 1 8   14 8  o 7.663000 2.175000  1.948000       4.349000  
1 1 1 8   14 9  o 14.68000 1.840000  -0.7878000     3.681000  
1 1 1 8   14 10 o 31.85000 0.9186000 -3.103000      1.837000  
1 1 1 8   14 11 o 24.87000 1.192000  -2.631000      2.384000  
1 1 1 8   14 12 o 5.784000 2.767000  ?              ?         
1 1 1 8   14 13 o 18.30000 2.588000  ?              ?         
1 1 1 8   14 14 o 17.20000 2.718000  ?              ?         
1 1 1 8   14 15 o 14.37000 3.280000  ?              ?         
1 1 1 8   14 16 o 6.632000 3.062000  ?              ?         
1 1 1 8   14 17 o 5.691000 2.744000  ?              ?         
1 1 1 8   14 18 o 5.008000 2.485000  ?              ?         
1 1 1 8   15 0  o 32.95000 0.8744000 1.673000       1.749000  
1 1 1 8   15 1  o 14.28000 1.977000  -6.764000      3.954000  
1 1 1 8   15 2  o 23.55000 1.192000  0.2855000      2.383000  
1 1 1 8   15 3  o 26.52000 1.106000  0.7794000      2.212000  
1 1 1 8   15 4  o 29.75000 0.9963000 0.5544000      1.993000  
1 1 1 8   15 5  o 21.15000 1.310000  -1.458000      2.621000  
1 1 1 8   15 6  o 7.524000 2.148000  -3.307000      4.296000  
1 1 1 8   15 7  o 14.77000 1.921000  -1.209000      3.842000  
1 1 1 8   15 8  o 8.712000 2.316000  -1.050000      4.632000  
1 1 1 8   15 9  o 7.698000 2.224000  -2.002000      4.448000  
1 1 1 8   15 10 o 6.684000 3.043000  ?              ?         
1 1 1 8   15 11 o 11.94000 3.509000  ?              ?         
1 1 1 8   15 12 o 7.825000 3.334000  ?              ?         
1 1 1 8   15 13 o 5.167000 2.542000  ?              ?         
1 1 1 8   15 14 f 8.202000 3.426000  ?              ?         
1 1 1 8   15 15 o 8.533000 3.513000  ?              ?         
1 1 1 8   15 16 o 11.02000 3.706000  ?              ?         
1 1 1 8   16 0  o 16.38000 1.602000  -2.354000      3.204000  
1 1 1 8   16 1  o 8.606000 2.264000  0.5331000E-01  4.528000  
1 1 1 8   16 2  o 12.40000 2.216000  -4.732000      4.432000  
1 1 1 8   16 3  o 9.363000 2.232000  2.815000       4.465000  
1 1 1 8   16 4  o 15.67000 1.878000  0.7611000      3.756000  
1 1 1 8   16 5  o 14.72000 2.020000  -1.010000      4.039000  
1 1 1 8   16 6  o 9.939000 2.065000  -7.816000      4.131000  
1 1 1 8   16 7  o 10.30000 2.481000  -0.9183000     4.961000  
1 1 1 8   16 8  o 8.952000 3.451000  ?              ?         
1 1 1 8   16 9  o 16.89000 2.812000  ?              ?         
1 1 1 8   16 10 o 17.95000 2.677000  ?              ?         
1 1 1 8   16 11 o 18.49000 2.556000  ?              ?         
1 1 1 8   16 12 o 11.73000 3.583000  ?              ?         
1 1 1 8   16 13 o 8.942000 3.507000  ?              ?         
1 1 1 8   16 14 o 6.238000 2.935000  ?              ?         
1 1 1 8   16 15 o 5.296000 2.613000  ?              ?         
1 1 1 8   17 0  o 13.46000 2.046000  -0.8408000     4.091000  
1 1 1 8   17 1  o 17.46000 1.834000  -3.473000      3.669000  
1 1 1 8   17 2  o 19.11000 1.996000  ?              ?         
1 1 1 8   17 3  o 8.747000 3.333000  ?              ?         
1 1 1 8   17 4  o 11.09000 3.425000  ?              ?         
1 1 1 8   17 5  o 14.20000 3.103000  ?              ?         
1 1 1 8   17 6  o 7.181000 3.148000  ?              ?         
1 1 1 8   17 7  o 6.121000 2.852000  ?              ?         
1 1 1 8   17 8  o 11.74000 3.560000  ?              ?         
1 1 1 8   17 9  o 6.342000 2.948000  ?              ?         
1 1 1 8   17 10 o 6.937000 3.133000  ?              ?         
1 1 1 8   17 11 o 11.47000 3.634000  ?              ?         
1 1 1 8   17 12 o 12.92000 3.343000  ?              ?         
1 1 1 8   17 13 o 5.474000 2.680000  ?              ?         
1 1 1 8   18 0  o 8.310000 2.425000  -1.166000      4.850000  
1 1 1 8   18 1  o 5.390000 2.559000  ?              ?         
1 1 1 8   18 2  o 6.338000 2.873000  ?              ?         
1 1 1 8   18 3  o 5.751000 2.722000  ?              ?         
1 1 1 8   18 4  o 6.656000 3.002000  ?              ?         
1 1 1 8   18 5  o 9.683000 3.424000  ?              ?         
1 1 1 8   18 6  o 18.56000 2.474000  ?              ?         
1 1 1 8   18 7  o 8.343000 3.411000  ?              ?         
1 1 1 8   18 8  o 5.295000 2.575000  ?              ?         
1 1 1 8   18 9  o 8.743000 3.470000  ?              ?         
1 1 1 8   18 10 o 6.039000 2.862000  ?              ?         
1 1 1 8   19 6  o 5.273000 2.578000  ?              ?         
1 1 1 8   19 7  o 6.022000 2.866000  ?              ?         
1 1 1 9   0  0  f 3.689000 2.431000  0.000000       0.000000  
1 1 1 9   0  1  o 31.24000 0.9131000 0.000000       0.000000  
1 1 1 9   0  2  o 13.74000 2.099000  0.000000       0.000000  
1 1 1 9   0  3  o 7.337000 3.870000  0.000000       0.000000  
1 1 1 9   0  4  o 24.84000 1.168000  0.000000       0.000000  
1 1 1 9   0  5  o 171.8000 1.726000  0.000000       0.000000  
1 1 1 9   0  6  o 215.1000 2.150000  0.000000       0.000000  
1 1 1 9   0  7  o 99.88000 1.074000  0.000000       0.000000  
1 1 1 9   0  8  o 134.9000 1.385000  0.000000       0.000000  
1 1 1 9   0  9  o 33.35000 1.130000  0.000000       0.000000  
1 1 1 9   0  10 o 60.82000 0.9224000 0.000000       0.000000  
1 1 1 9   0  11 o 69.10000 0.9458000 0.000000       0.000000  
1 1 1 9   0  12 o 76.72000 0.9971000 0.000000       0.000000  
1 1 1 9   0  13 o 94.14000 1.095000  0.000000       0.000000  
1 1 1 9   0  14 o 11.69000 4.252000  0.000000       0.000000  
1 1 1 9   0  15 o 7.397000 4.133000  0.000000       0.000000  
1 1 1 9   0  16 o 45.77000 1.107000  0.000000       0.000000  
1 1 1 9   0  17 o 20.32000 2.329000  0.000000       0.000000  
1 1 1 9   0  18 o 28.16000 1.562000  0.000000       0.000000  
1 1 1 9   0  19 o 5.528000 3.494000  0.000000       0.000000  
1 1 1 9   0  20 o 4.004000 2.784000  0.000000       0.000000  
1 1 1 9   0  21 o 5.361000 3.676000  0.000000       0.000000  
1 1 1 9   1  0  o 162.8000 1.153000  -0.9310000     2.306000  
1 1 1 9   1  1  o 43.43000 0.5082000 -0.7173000     1.016000  
1 1 1 9   1  2  o 92.53000 0.6937000 0.9822000      1.387000  
1 1 1 9   1  3  o 11.72000 1.650000  4.416000       3.300000  
1 1 1 9   1  4  o 52.83000 0.5483000 -0.8040000     1.097000  
1 1 1 9   1  5  o 170.8000 1.214000  1.522000       2.429000  
1 1 1 9   1  6  o 214.0000 1.515000  3.713000       3.030000  
1 1 1 9   1  7  o 42.43000 0.6463000 0.2071000      1.293000  
1 1 1 9   1  8  o 63.26000 0.7728000 0.7404000      1.546000  
1 1 1 9   1  9  o 32.48000 0.8854000 1.082000       1.771000  
1 1 1 9   1  10 o 20.24000 1.402000  1.811000       2.804000  
1 1 1 9   1  11 o 9.336000 2.359000  -1.619000      4.718000  
1 1 1 9   1  12 o 19.15000 1.692000  -1.352000      3.385000  
1 1 1 9   1  13 o 30.44000 1.085000  1.577000       2.170000  
1 1 1 9   1  14 o 51.09000 0.7557000 1.882000       1.511000  
1 1 1 9   1  15 o 55.61000 0.7222000 0.8428000      1.444000  
1 1 1 9   1  16 o 23.66000 1.339000  -2.910000      2.677000  
1 1 1 9   1  17 o 6.255000 2.036000  0.1941000      4.073000  
1 1 1 9   1  18 o 23.12000 1.344000  0.2290000      2.687000  
1 1 1 9   1  19 o 17.01000 1.769000  2.906000       3.538000  
1 1 1 9   1  20 o 9.804000 2.247000  5.838000       4.495000  
1 1 1 9   1  21 o 15.00000 3.928000  ?              ?         
1 1 1 9   2  0  o 46.88000 0.4883000 -1.528000      0.9767000 
1 1 1 9   2  1  o 51.02000 0.4931000 -1.256000      0.9861000 
1 1 1 9   2  2  o 24.24000 0.7640000 0.2183000      1.528000  
1 1 1 9   2  3  o 78.71000 0.6225000 0.1762000E-01  1.245000  
1 1 1 9   2  4  o 6.619000 1.889000  1.207000       3.779000  
1 1 1 9   2  5  o 52.76000 0.5734000 -0.9044000     1.147000  
1 1 1 9   2  6  o 220.3000 1.561000  0.2191000      3.121000  
1 1 1 9   2  7  o 128.8000 0.9396000 -1.308000      1.879000  
1 1 1 9   2  8  o 88.37000 0.7043000 1.544000       1.409000  
1 1 1 9   2  9  o 89.79000 0.7208000 1.879000       1.442000  
1 1 1 9   2  10 o 47.06000 0.7161000 -0.8235000     1.432000  
1 1 1 9   2  11 o 47.62000 0.7344000 -0.3709000     1.469000  
1 1 1 9   2  12 o 115.0000 0.8795000 0.9822000      1.759000  
1 1 1 9   2  13 f 79.79000 0.7289000 -2.385000      1.458000  
1 1 1 9   2  14 o 56.58000 0.8814000 -0.6571000     1.763000  
1 1 1 9   2  15 o 19.35000 1.765000  -1.465000      3.531000  
1 1 1 9   2  16 o 63.69000 0.6859000 1.208000       1.372000  
1 1 1 9   2  17 o 58.93000 0.6931000 -1.877000      1.386000  
1 1 1 9   2  18 o 35.42000 0.8991000 1.426000       1.798000  
1 1 1 9   2  19 o 23.12000 1.307000  0.6401000      2.615000  
1 1 1 9   2  20 o 13.69000 2.155000  -3.526000      4.310000  
1 1 1 9   2  21 o 7.426000 2.422000  2.776000       4.844000  
1 1 1 9   3  0  o 176.3000 1.249000  1.227000       2.498000  
1 1 1 9   3  1  o 41.34000 0.5121000 0.6410000      1.024000  
1 1 1 9   3  2  o 32.35000 0.6080000 0.4603000      1.216000  
1 1 1 9   3  3  o 88.10000 0.6756000 3.234000       1.351000  
1 1 1 9   3  4  o 39.47000 0.6023000 -0.8896000     1.205000  
1 1 1 9   3  5  o 47.34000 0.5770000 1.141000       1.154000  
1 1 1 9   3  6  o 28.56000 0.8316000 -0.2521000     1.663000  
1 1 1 9   3  7  o 53.89000 0.6241000 -0.6626000     1.248000  
1 1 1 9   3  8  o 63.10000 0.6187000 0.1118000E-01  1.237000  
1 1 1 9   3  9  o 57.86000 0.6466000 0.2183000      1.293000  
1 1 1 9   3  10 o 46.14000 0.7378000 0.3973000      1.476000  
1 1 1 9   3  11 o 37.59000 0.8327000 1.221000       1.665000  
1 1 1 9   3  12 o 35.84000 0.9214000 -1.233000      1.843000  
1 1 1 9   3  13 f 25.70000 1.311000  2.808000       2.622000  
1 1 1 9   3  14 o 54.73000 0.7810000 -0.2593000     1.562000  
1 1 1 9   3  15 o 40.16000 0.8848000 0.1347000      1.770000  
1 1 1 9   3  16 o 11.04000 2.479000  -1.083000      4.958000  
1 1 1 9   3  17 o 31.06000 1.031000  0.9455000E-02  2.061000  
1 1 1 9   3  18 o 14.15000 2.195000  -4.246000      4.390000  
1 1 1 9   3  19 o 8.424000 2.381000  -0.7448000     4.761000  
1 1 1 9   3  20 o 8.167000 2.491000  -2.073000      4.982000  
1 1 1 9   3  21 o 8.562000 3.919000  ?              ?         
1 1 1 9   4  0  o 51.36000 0.5053000 0.9723000E-01  1.011000  
1 1 1 9   4  1  o 29.06000 0.6353000 -2.665000      1.271000  
1 1 1 9   4  2  o 17.28000 1.043000  -1.386000      2.086000  
1 1 1 9   4  3  o 25.92000 0.7668000 -0.4617000     1.534000  
1 1 1 9   4  4  o 100.1000 0.7519000 -0.1605000     1.504000  
1 1 1 9   4  5  o 52.41000 0.5939000 -0.1502000     1.188000  
1 1 1 9   4  6  o 82.48000 0.6729000 1.472000       1.346000  
1 1 1 9   4  7  o 19.90000 1.267000  -0.8134000     2.533000  
1 1 1 9   4  8  o 67.04000 0.6419000 0.3658000      1.284000  
1 1 1 9   4  9  o 61.07000 0.6539000 0.2023000      1.308000  
1 1 1 9   4  10 o 63.20000 0.6825000 1.352000       1.365000  
1 1 1 9   4  11 o 71.28000 0.6927000 -1.501000      1.385000  
1 1 1 9   4  12 o 70.61000 0.6969000 0.7508000      1.394000  
1 1 1 9   4  13 o 69.59000 0.7082000 -0.4728000     1.416000  
1 1 1 9   4  14 o 23.81000 1.403000  -4.105000      2.806000  
1 1 1 9   4  15 o 27.22000 1.166000  -2.747000      2.332000  
1 1 1 9   4  16 f 50.23000 0.7333000 0.8433000      1.467000  
1 1 1 9   4  17 o 27.43000 1.124000  3.357000       2.248000  
1 1 1 9   4  18 o 32.87000 0.9723000 1.954000       1.945000  
1 1 1 9   4  19 o 9.333000 2.384000  2.893000       4.767000  
1 1 1 9   4  20 o 8.973000 2.703000  1.293000       5.406000  
1 1 1 9   4  21 o 11.86000 2.863000  5.311000       5.725000  
1 1 1 9   5  0  o 64.50000 0.6727000 2.706000       1.345000  
1 1 1 9   5  1  o 60.51000 0.5390000 -2.048000      1.078000  
1 1 1 9   5  2  o 42.32000 0.5456000 -0.7558000     1.091000  
1 1 1 9   5  3  o 56.84000 0.5567000 -0.4188000E-01 1.113000  
1 1 1 9   5  4  o 181.9000 1.584000  -4.151000      3.168000  
1 1 1 9   5  5  o 76.95000 0.6414000 1.009000       1.283000  
1 1 1 9   5  6  o 68.48000 0.6267000 2.049000       1.253000  
1 1 1 9   5  7  o 39.96000 0.7290000 -1.532000      1.458000  
1 1 1 9   5  8  o 25.47000 1.104000  -3.690000      2.209000  
1 1 1 9   5  9  o 20.88000 1.438000  4.134000       2.877000  
1 1 1 9   5  10 o 54.25000 0.7089000 -1.059000      1.418000  
1 1 1 9   5  11 o 20.44000 1.633000  2.333000       3.266000  
1 1 1 9   5  12 o 35.13000 0.9899000 -3.096000      1.980000  
1 1 1 9   5  13 o 27.33000 1.225000  -3.449000      2.450000  
1 1 1 9   5  14 o 16.40000 2.047000  -2.076000      4.093000  
1 1 1 9   5  15 o 28.35000 1.160000  0.8109000E-01  2.320000  
1 1 1 9   5  16 o 12.70000 2.296000  -5.224000      4.593000  
1 1 1 9   5  17 o 22.03000 1.397000  -3.191000      2.794000  
1 1 1 9   5  18 o 20.50000 1.552000  3.711000       3.105000  
1 1 1 9   5  19 o 8.776000 2.587000  2.187000       5.174000  
1 1 1 9   5  20 o 8.377000 2.616000  -1.412000      5.233000  
1 1 1 9   5  21 o 11.79000 2.819000  3.751000       5.638000  
1 1 1 9   6  0  o 74.42000 0.5913000 0.5550000      1.183000  
1 1 1 9   6  1  o 20.12000 0.9193000 1.982000       1.839000  
1 1 1 9   6  2  o 31.93000 0.6483000 -0.6267000     1.297000  
1 1 1 9   6  3  o 74.82000 0.6189000 -1.499000      1.238000  
1 1 1 9   6  4  o 106.3000 0.7935000 0.4428000      1.587000  
1 1 1 9   6  5  o 53.74000 0.6008000 -1.670000      1.202000  
1 1 1 9   6  6  o 29.02000 0.9003000 3.041000       1.801000  
1 1 1 9   6  7  o 40.80000 0.7380000 -0.2264000     1.476000  
1 1 1 9   6  8  o 41.45000 0.7766000 -0.9340000     1.553000  
1 1 1 9   6  9  o 60.84000 0.6785000 -1.078000      1.357000  
1 1 1 9   6  10 o 61.72000 0.7103000 2.177000       1.421000  
1 1 1 9   6  11 o 70.02000 0.6871000 -0.4818000     1.374000  
1 1 1 9   6  12 o 73.56000 0.7266000 -1.143000      1.453000  
1 1 1 9   6  13 o 117.9000 0.9004000 -0.7751000     1.801000  
1 1 1 9   6  14 o 61.73000 0.7053000 -1.388000      1.411000  
1 1 1 9   6  15 o 53.64000 0.7231000 -2.286000      1.446000  
1 1 1 9   6  16 o 33.26000 0.9653000 -1.763000      1.931000  
1 1 1 9   6  17 o 17.56000 1.830000  -3.053000      3.660000  
1 1 1 9   6  18 o 22.80000 1.411000  -0.4793000     2.822000  
1 1 1 9   6  19 o 28.71000 1.693000  -4.567000      3.386000  
1 1 1 9   6  20 o 25.65000 1.828000  3.743000       3.657000  
1 1 1 9   6  21 o 7.231000 2.388000  0.5700000      4.776000  
1 1 1 9   7  0  o 110.0000 0.8054000 1.479000       1.611000  
1 1 1 9   7  1  o 107.7000 0.7964000 1.793000       1.593000  
1 1 1 9   7  2  f 63.64000 0.5831000 -1.945000      1.166000  
1 1 1 9   7  3  o 62.51000 0.5852000 -0.7061000E-01 1.170000  
1 1 1 9   7  4  o 65.23000 0.6068000 -0.1978000     1.214000  
1 1 1 9   7  5  o 114.0000 0.8487000 1.516000       1.697000  
1 1 1 9   7  6  o 41.78000 0.7153000 0.8289000      1.431000  
1 1 1 9   7  7  f 69.45000 0.6625000 0.9124000E-01  1.325000  
1 1 1 9   7  8  o 34.54000 0.9214000 2.511000       1.843000  
1 1 1 9   7  9  o 33.68000 0.9708000 -2.331000      1.942000  
1 1 1 9   7  10 o 14.00000 2.266000  4.528000       4.532000  
1 1 1 9   7  11 o 35.19000 0.9717000 -2.137000      1.943000  
1 1 1 9   7  12 o 18.95000 1.704000  -1.810000      3.407000  
1 1 1 9   7  13 o 9.015000 2.412000  -2.174000      4.824000  
1 1 1 9   7  14 o 15.15000 2.081000  -1.916000      4.163000  
1 1 1 9   7  15 o 9.378000 2.456000  0.2557000      4.911000  
1 1 1 9   7  16 o 14.47000 2.058000  -0.3235000     4.117000  
1 1 1 9   7  17 o 9.486000 2.396000  -1.574000      4.793000  
1 1 1 9   7  18 o 6.284000 2.121000  1.645000       4.241000  
1 1 1 9   7  19 o 17.03000 2.547000  -2.119000      5.094000  
1 1 1 9   7  20 o 8.506000 2.629000  -1.334000      5.257000  
1 1 1 9   7  21 o 9.259000 3.855000  ?              ?         
1 1 1 9   8  0  o 17.69000 1.059000  -0.9559000     2.118000  
1 1 1 9   8  1  o 46.62000 0.5698000 1.376000       1.140000  
1 1 1 9   8  2  o 34.33000 0.7060000 1.424000       1.412000  
1 1 1 9   8  3  o 77.64000 0.6475000 -2.489000      1.295000  
1 1 1 9   8  4  o 34.25000 0.7795000 2.558000       1.559000  
1 1 1 9   8  5  o 35.51000 0.7908000 1.141000       1.582000  
1 1 1 9   8  6  o 26.68000 1.066000  -1.770000      2.132000  
1 1 1 9   8  7  o 57.50000 0.6782000 -1.977000      1.356000  
1 1 1 9   8  8  o 33.44000 0.9523000 -1.613000      1.905000  
1 1 1 9   8  9  o 69.14000 0.7004000 0.4578000      1.401000  
1 1 1 9   8  10 o 27.56000 1.162000  -1.175000      2.323000  
1 1 1 9   8  11 o 59.86000 0.7087000 -1.632000      1.417000  
1 1 1 9   8  12 f 52.43000 0.7415000 -2.275000      1.483000  
1 1 1 9   8  13 o 25.08000 1.242000  -0.3094000     2.483000  
1 1 1 9   8  14 o 80.02000 0.7265000 1.001000       1.453000  
1 1 1 9   8  15 o 26.22000 1.223000  0.2232000      2.446000  
1 1 1 9   8  16 o 16.15000 2.027000  -3.157000      4.053000  
1 1 1 9   8  17 o 11.50000 2.665000  0.1455000      5.330000  
1 1 1 9   8  18 o 8.795000 2.668000  -1.468000      5.337000  
1 1 1 9   8  19 o 23.47000 1.891000  -0.8372000     3.782000  
1 1 1 9   8  20 o 30.33000 1.586000  3.935000       3.173000  
1 1 1 9   8  21 o 24.82000 2.542000  ?              ?         
1 1 1 9   9  0  o 38.69000 0.7570000 -1.511000      1.514000  
1 1 1 9   9  1  o 34.33000 0.6927000 0.4119000      1.385000  
1 1 1 9   9  2  o 39.52000 0.7789000 -0.8749000     1.558000  
1 1 1 9   9  3  o 67.10000 0.6278000 -1.853000      1.256000  
1 1 1 9   9  4  o 38.34000 0.9912000 1.502000       1.982000  
1 1 1 9   9  5  o 48.34000 0.6666000 1.945000       1.333000  
1 1 1 9   9  6  o 15.87000 1.810000  -2.477000      3.621000  
1 1 1 9   9  7  o 46.13000 0.7539000 -0.6282000     1.508000  
1 1 1 9   9  8  o 33.80000 0.9266000 1.209000       1.853000  
1 1 1 9   9  9  o 29.67000 1.075000  0.2533000      2.150000  
1 1 1 9   9  10 o 13.96000 2.178000  4.422000       4.356000  
1 1 1 9   9  11 o 9.503000 2.482000  0.9431000      4.965000  
1 1 1 9   9  12 o 9.426000 2.405000  4.080000       4.811000  
1 1 1 9   9  13 o 17.56000 1.775000  -3.388000      3.549000  
1 1 1 9   9  14 o 8.103000 2.306000  0.5474000      4.611000  
1 1 1 9   9  15 o 8.798000 2.316000  -2.555000      4.633000  
1 1 1 9   9  16 o 11.61000 2.408000  2.377000       4.816000  
1 1 1 9   9  17 o 11.31000 2.996000  -0.8342000     5.992000  
1 1 1 9   9  18 o 8.910000 2.568000  3.481000       5.137000  
1 1 1 9   9  19 o 9.046000 2.689000  -3.882000      5.377000  
1 1 1 9   9  20 o 5.977000 2.087000  -0.4263000     4.174000  
1 1 1 9   10 0  f 23.16000 1.245000  1.039000       2.490000  
1 1 1 9   10 1  o 10.55000 2.295000  -0.6727000E-01 4.589000  
1 1 1 9   10 2  o 7.472000 2.139000  -3.282000      4.277000  
1 1 1 9   10 3  o 25.72000 1.182000  -2.133000      2.364000  
1 1 1 9   10 4  o 49.40000 0.6976000 -2.329000      1.395000  
1 1 1 9   10 5  o 58.88000 0.6671000 -0.6058000     1.334000  
1 1 1 9   10 6  o 51.61000 0.6899000 -0.5969000     1.380000  
1 1 1 9   10 7  o 71.87000 0.6869000 -0.9992000E-01 1.374000  
1 1 1 9   10 8  o 55.34000 0.6969000 -1.217000      1.394000  
1 1 1 9   10 9  o 14.97000 2.122000  3.364000       4.244000  
1 1 1 9   10 10 o 26.67000 1.209000  1.370000       2.417000  
1 1 1 9   10 11 o 27.43000 1.140000  3.121000       2.279000  
1 1 1 9   10 12 o 9.487000 2.365000  -2.065000      4.729000  
1 1 1 9   10 13 o 26.30000 1.206000  1.668000       2.412000  
1 1 1 9   10 14 o 21.73000 1.456000  -3.186000      2.912000  
1 1 1 9   10 15 f 16.94000 1.880000  5.476000       3.761000  
1 1 1 9   10 16 o 8.834000 2.735000  -0.1805000     5.470000  
1 1 1 9   10 17 o 24.45000 1.935000  -1.543000      3.870000  
1 1 1 9   10 18 o 8.094000 2.531000  2.474000       5.063000  
1 1 1 9   10 19 o 9.022000 2.721000  -1.520000      5.443000  
1 1 1 9   10 20 o 8.778000 2.626000  3.544000       5.252000  
1 1 1 9   11 0  o 36.49000 0.8561000 -2.620000      1.712000  
1 1 1 9   11 1  o 39.55000 0.8009000 -0.2358000     1.602000  
1 1 1 9   11 2  o 30.06000 0.9413000 -1.764000      1.883000  
1 1 1 9   11 3  o 68.72000 0.7601000 3.352000       1.520000  
1 1 1 9   11 4  o 36.07000 0.9155000 -1.379000      1.831000  
1 1 1 9   11 5  o 7.261000 2.112000  -3.339000      4.225000  
1 1 1 9   11 6  o 38.99000 0.8017000 -0.3707000     1.603000  
1 1 1 9   11 7  o 21.50000 1.353000  -1.445000      2.707000  
1 1 1 9   11 8  o 40.84000 0.8086000 -0.6845000     1.617000  
1 1 1 9   11 9  o 28.51000 1.047000  3.300000       2.093000  
1 1 1 9   11 10 o 11.17000 2.334000  -4.552000      4.667000  
1 1 1 9   11 11 o 13.52000 2.221000  5.478000       4.442000  
1 1 1 9   11 12 o 19.55000 1.527000  0.2571000      3.054000  
1 1 1 9   11 13 o 10.06000 2.413000  -1.688000      4.827000  
1 1 1 9   11 14 o 10.02000 2.544000  -2.163000      5.088000  
1 1 1 9   11 15 o 8.182000 2.627000  1.224000       5.253000  
1 1 1 9   11 16 o 8.457000 2.643000  -1.718000      5.286000  
1 1 1 9   11 17 o 8.584000 2.701000  0.9015000E-01  5.402000  
1 1 1 9   11 18 o 6.616000 2.245000  0.6489000      4.490000  
1 1 1 9   11 19 o 7.440000 2.400000  3.275000       4.801000  
1 1 1 9   11 20 o 7.048000 3.314000  ?              ?         
1 1 1 9   12 0  o 24.94000 1.155000  -0.3260000     2.311000  
1 1 1 9   12 1  o 27.06000 1.028000  -3.576000      2.056000  
1 1 1 9   12 2  o 9.343000 2.363000  -1.520000      4.726000  
1 1 1 9   12 3  o 27.71000 0.9662000 2.249000       1.932000  
1 1 1 9   12 4  o 19.80000 1.323000  -3.140000      2.646000  
1 1 1 9   12 5  o 45.37000 0.7502000 -1.958000      1.500000  
1 1 1 9   12 6  o 18.00000 1.582000  -0.1588000     3.163000  
1 1 1 9   12 7  o 39.37000 0.8030000 -1.532000      1.606000  
1 1 1 9   12 8  o 23.49000 1.181000  0.4963000      2.363000  
1 1 1 9   12 9  o 30.97000 0.9708000 -3.549000      1.942000  
1 1 1 9   12 10 o 39.16000 0.8176000 -0.6168000     1.635000  
1 1 1 9   12 11 o 12.83000 2.229000  -3.779000      4.458000  
1 1 1 9   12 12 o 20.10000 1.510000  3.114000       3.020000  
1 1 1 9   12 13 o 25.95000 1.861000  -10.39000      3.722000  
1 1 1 9   12 14 o 10.79000 2.985000  -0.4796000E-01 5.971000  
1 1 1 9   12 15 o 9.026000 2.746000  -4.204000      5.493000  
1 1 1 9   12 16 o 9.770000 2.730000  3.023000       5.461000  
1 1 1 9   12 17 o 7.766000 2.512000  -4.125000      5.023000  
1 1 1 9   12 18 o 8.201000 2.636000  -0.3075000     5.272000  
1 1 1 9   12 19 o 9.243000 2.643000  5.771000       5.286000  
1 1 1 9   13 0  o 27.52000 0.9665000 -3.127000      1.933000  
1 1 1 9   13 1  o 22.20000 1.280000  0.1612000E-01  2.559000  
1 1 1 9   13 2  o 34.73000 0.9192000 0.7305000E-01  1.838000  
1 1 1 9   13 3  o 26.16000 1.059000  -1.441000      2.117000  
1 1 1 9   13 4  f 19.52000 1.380000  2.608000       2.759000  
1 1 1 9   13 5  f 14.37000 1.940000  -3.018000      3.881000  
1 1 1 9   13 6  o 19.84000 1.346000  -2.484000      2.692000  
1 1 1 9   13 7  o 38.43000 0.7967000 -1.041000      1.593000  
1 1 1 9   13 8  o 21.85000 1.253000  2.199000       2.505000  
1 1 1 9   13 9  o 25.06000 1.110000  0.8519000      2.219000  
1 1 1 9   13 10 o 9.197000 2.267000  -3.219000      4.535000  
1 1 1 9   13 11 f 11.75000 2.373000  3.314000       4.745000  
1 1 1 9   13 12 o 8.670000 2.720000  -0.3287000     5.441000  
1 1 1 9   13 13 o 6.946000 2.364000  -1.418000      4.727000  
1 1 1 9   13 14 o 8.452000 2.614000  1.683000       5.228000  
1 1 1 9   13 15 o 9.503000 2.792000  -3.762000      5.584000  
1 1 1 9   13 16 o 6.108000 2.133000  -1.140000      4.266000  
1 1 1 9   13 17 f 7.445000 2.445000  2.384000       4.889000  
1 1 1 9   13 18 o 7.244000 2.466000  -4.264000      4.931000  
1 1 1 9   14 0  o 27.25000 0.9719000 -5.011000      1.944000  
1 1 1 9   14 1  o 18.44000 1.775000  3.881000       3.551000  
1 1 1 9   14 2  o 6.031000 1.957000  -0.5232000     3.913000  
1 1 1 9   14 3  o 13.43000 2.084000  -0.1189000     4.167000  
1 1 1 9   14 4  o 16.60000 1.617000  -1.022000      3.234000  
1 1 1 9   14 5  o 8.471000 2.203000  1.215000       4.406000  
1 1 1 9   14 6  o 17.87000 1.548000  4.312000       3.095000  
1 1 1 9   14 7  o 10.06000 2.235000  -2.487000      4.470000  
1 1 1 9   14 8  o 9.317000 2.253000  -2.572000      4.506000  
1 1 1 9   14 9  o 33.40000 0.9777000 -2.241000      1.955000  
1 1 1 9   14 10 o 17.81000 2.653000  ?              ?         
1 1 1 9   14 11 o 7.466000 3.198000  ?              ?         
1 1 1 9   14 12 o 12.92000 3.440000  ?              ?         
1 1 1 9   14 13 f 6.502000 2.987000  ?              ?         
1 1 1 9   14 14 o 7.721000 3.331000  ?              ?         
1 1 1 9   14 15 o 7.236000 3.218000  ?              ?         
1 1 1 9   14 16 o 7.209000 2.420000  1.081000       4.841000  
1 1 1 9   14 17 o 6.010000 2.110000  -1.661000      4.220000  
1 1 1 9   15 0  o 7.979000 2.143000  -0.3918000     4.286000  
1 1 1 9   15 1  o 16.89000 1.537000  -1.509000      3.075000  
1 1 1 9   15 2  o 8.368000 2.180000  1.501000       4.359000  
1 1 1 9   15 3  o 23.79000 1.240000  1.637000       2.479000  
1 1 1 9   15 4  o 19.67000 1.472000  -5.609000      2.944000  
1 1 1 9   15 5  o 6.395000 2.022000  -0.3536000     4.044000  
1 1 1 9   15 6  o 8.249000 2.254000  3.999000       4.508000  
1 1 1 9   15 7  o 7.914000 3.240000  ?              ?         
1 1 1 9   15 8  o 9.524000 3.387000  ?              ?         
1 1 1 9   15 9  o 6.282000 2.890000  ?              ?         
1 1 1 9   15 10 o 7.818000 3.284000  ?              ?         
1 1 1 9   15 11 o 7.286000 3.208000  ?              ?         
1 1 1 9   15 12 o 5.573000 2.685000  ?              ?         
1 1 1 9   15 13 o 6.704000 3.052000  ?              ?         
1 1 1 9   15 14 o 8.160000 3.371000  ?              ?         
1 1 1 9   15 15 o 5.260000 2.589000  ?              ?         
1 1 1 9   16 0  o 14.86000 1.841000  -5.840000      3.683000  
1 1 1 9   16 1  o 8.106000 2.250000  -0.2339000     4.501000  
1 1 1 9   16 2  o 20.40000 1.442000  0.1419000      2.883000  
1 1 1 9   16 3  o 33.52000 1.119000  ?              ?         
1 1 1 9   16 4  o 18.64000 2.073000  ?              ?         
1 1 1 9   16 5  o 11.06000 3.375000  ?              ?         
1 1 1 9   16 6  o 9.021000 3.442000  ?              ?         
1 1 1 9   16 7  o 5.597000 2.672000  ?              ?         
1 1 1 9   16 8  o 9.763000 3.460000  ?              ?         
1 1 1 9   16 9  o 6.364000 2.940000  ?              ?         
1 1 1 9   16 10 o 6.836000 3.079000  ?              ?         
1 1 1 9   16 11 o 7.439000 3.221000  ?              ?         
1 1 1 9   16 12 o 8.510000 3.437000  ?              ?         
1 1 1 9   16 13 o 5.141000 2.537000  ?              ?         
1 1 1 9   17 0  o 9.433000 2.945000  ?              ?         
1 1 1 9   17 1  o 13.74000 2.386000  ?              ?         
1 1 1 9   17 2  o 5.450000 2.531000  ?              ?         
1 1 1 9   17 3  o 12.63000 2.972000  ?              ?         
1 1 1 9   17 4  o 11.51000 3.386000  ?              ?         
1 1 1 9   17 5  o 6.569000 2.977000  ?              ?         
1 1 1 9   17 6  o 7.229000 3.122000  ?              ?         
1 1 1 9   17 7  o 10.42000 3.470000  ?              ?         
1 1 1 9   17 8  o 11.97000 3.500000  ?              ?         
1 1 1 9   17 9  o 5.789000 2.746000  ?              ?         
1 1 1 9   17 10 o 7.285000 3.185000  ?              ?         
1 1 1 9   17 11 o 4.805000 2.393000  ?              ?         
1 1 1 9   18 7  o 7.387000 3.227000  ?              ?         
1 1 1 9   18 8  o 4.510000 2.259000  ?              ?         
1 1 1 10  0  0  o 40.56000 0.7323000 0.000000       0.000000  
1 1 1 10  0  1  o 6.752000 3.269000  0.000000       0.000000  
1 1 1 10  0  2  o 4.093000 2.675000  0.000000       0.000000  
1 1 1 10  0  3  o 42.96000 0.8403000 0.000000       0.000000  
1 1 1 10  0  4  o 25.89000 1.234000  0.000000       0.000000  
1 1 1 10  0  5  o 13.76000 2.722000  0.000000       0.000000  
1 1 1 10  0  6  o 14.21000 2.739000  0.000000       0.000000  
1 1 1 10  0  7  o 10.97000 3.437000  0.000000       0.000000  
1 1 1 10  0  8  o 56.24000 0.9169000 0.000000       0.000000  
1 1 1 10  0  9  o 10.34000 4.699000  0.000000       0.000000  
1 1 1 10  0  10 o 5.574000 3.731000  0.000000       0.000000  
1 1 1 10  0  11 o 52.97000 1.022000  0.000000       0.000000  
1 1 1 10  0  12 o 12.32000 4.009000  0.000000       0.000000  
1 1 1 10  0  13 f 4.699000 3.183000  0.000000       0.000000  
1 1 1 10  0  14 o 74.61000 0.9858000 0.000000       0.000000  
1 1 1 10  0  15 o 11.82000 4.046000  0.000000       0.000000  
1 1 1 10  0  16 o 32.68000 1.272000  0.000000       0.000000  
1 1 1 10  0  17 o 8.755000 4.091000  0.000000       0.000000  
1 1 1 10  0  18 o 32.48000 1.368000  0.000000       0.000000  
1 1 1 10  0  19 o 3.917000 2.741000  0.000000       0.000000  
1 1 1 10  0  20 o 10.87000 4.959000  0.000000       0.000000  
1 1 1 10  1  0  o 167.4000 1.187000  0.5900000      2.374000  
1 1 1 10  1  1  o 54.07000 0.5237000 -0.6595000     1.047000  
1 1 1 10  1  2  o 142.9000 1.023000  -0.9548000     2.046000  
1 1 1 10  1  3  o 91.21000 0.6990000 1.888000       1.398000  
1 1 1 10  1  4  o 125.0000 1.287000  -0.4392000     2.574000  
1 1 1 10  1  5  o 162.7000 1.163000  -0.9640000     2.326000  
1 1 1 10  1  6  o 79.76000 0.6669000 -0.6470000E-02 1.334000  
1 1 1 10  1  7  o 71.34000 0.6463000 -0.5915000     1.293000  
1 1 1 10  1  8  o 71.79000 0.6572000 -0.8377000     1.314000  
1 1 1 10  1  9  o 14.30000 2.046000  -5.586000      4.092000  
1 1 1 10  1  10 o 16.01000 1.921000  -3.710000      3.843000  
1 1 1 10  1  11 o 15.17000 2.175000  1.672000       4.349000  
1 1 1 10  1  12 o 23.76000 1.291000  2.922000       2.582000  
1 1 1 10  1  13 o 15.54000 2.154000  3.328000       4.307000  
1 1 1 10  1  14 o 17.15000 1.841000  -1.613000      3.683000  
1 1 1 10  1  15 o 23.70000 1.570000  3.691000       3.141000  
1 1 1 10  1  16 o 8.976000 2.538000  1.349000       5.077000  
1 1 1 10  1  17 o 11.36000 2.295000  5.189000       4.589000  
1 1 1 10  1  18 o 19.92000 1.457000  -1.418000      2.915000  
1 1 1 10  1  19 o 7.148000 2.146000  2.606000       4.292000  
1 1 1 10  1  20 o 8.830000 2.704000  2.076000       5.407000  
1 1 1 10  2  0  o 69.09000 0.6963000 -1.698000      1.393000  
1 1 1 10  2  1  o 50.94000 0.5304000 -0.2291000     1.061000  
1 1 1 10  2  2  f 48.68000 0.5461000 -0.5103000     1.092000  
1 1 1 10  2  3  o 33.98000 0.6684000 -0.7956000     1.337000  
1 1 1 10  2  4  o 54.88000 0.5814000 -1.647000      1.163000  
1 1 1 10  2  5  o 8.255000 2.139000  -1.693000      4.278000  
1 1 1 10  2  6  o 51.55000 0.6355000 0.8906000      1.271000  
1 1 1 10  2  7  o 29.35000 0.9307000 0.3978000      1.861000  
1 1 1 10  2  8  o 44.81000 0.7104000 -0.4087000     1.421000  
1 1 1 10  2  9  o 51.25000 0.6882000 -1.601000      1.376000  
1 1 1 10  2  10 o 20.90000 1.465000  2.120000       2.929000  
1 1 1 10  2  11 o 18.13000 1.783000  1.739000       3.567000  
1 1 1 10  2  12 o 109.4000 0.8545000 -0.2207000     1.709000  
1 1 1 10  2  13 o 30.67000 1.097000  -2.274000      2.194000  
1 1 1 10  2  14 o 51.07000 0.7520000 1.552000       1.504000  
1 1 1 10  2  15 o 40.08000 0.8296000 -0.6960000     1.659000  
1 1 1 10  2  16 o 67.90000 0.6854000 -0.5760000     1.371000  
1 1 1 10  2  17 o 50.65000 0.6956000 0.3265000E-01  1.391000  
1 1 1 10  2  18 o 44.27000 0.7733000 -0.2220000     1.547000  
1 1 1 10  2  19 o 7.280000 2.199000  0.3539000      4.398000  
1 1 1 10  2  20 o 7.897000 2.528000  -3.389000      5.056000  
1 1 1 10  3  0  o 36.69000 0.5587000 -2.686000      1.117000  
1 1 1 10  3  1  o 52.80000 0.5353000 -1.525000      1.071000  
1 1 1 10  3  2  o 111.1000 0.8155000 2.783000       1.631000  
1 1 1 10  3  3  o 18.73000 1.149000  0.8333000      2.298000  
1 1 1 10  3  4  o 160.2000 1.146000  1.830000       2.293000  
1 1 1 10  3  5  o 37.53000 0.7145000 -1.797000      1.429000  
1 1 1 10  3  6  o 24.25000 1.086000  -0.6709000     2.173000  
1 1 1 10  3  7  o 72.24000 0.6540000 1.560000       1.308000  
1 1 1 10  3  8  o 64.95000 0.6635000 -0.1283000E-01 1.327000  
1 1 1 10  3  9  o 57.24000 0.6614000 1.055000       1.323000  
1 1 1 10  3  10 o 48.88000 0.7598000 1.252000       1.520000  
1 1 1 10  3  11 o 32.73000 0.9877000 1.019000       1.975000  
1 1 1 10  3  12 o 66.27000 0.7082000 -0.3327000     1.416000  
1 1 1 10  3  13 f 20.58000 1.620000  -4.273000      3.240000  
1 1 1 10  3  14 o 20.88000 1.559000  -1.719000      3.118000  
1 1 1 10  3  15 o 20.82000 1.461000  2.553000       2.922000  
1 1 1 10  3  16 o 13.24000 2.260000  1.606000       4.520000  
1 1 1 10  3  17 o 27.42000 1.163000  -3.688000      2.325000  
1 1 1 10  3  18 o 8.122000 2.322000  -0.7065000E-01 4.643000  
1 1 1 10  3  19 f 11.35000 2.531000  7.222000       5.061000  
1 1 1 10  3  20 o 13.16000 2.965000  0.8177000      5.929000  
1 1 1 10  4  0  o 15.01000 1.259000  3.519000       2.518000  
1 1 1 10  4  1  o 49.35000 0.5339000 -1.435000      1.068000  
1 1 1 10  4  2  o 18.23000 1.141000  1.190000       2.283000  
1 1 1 10  4  3  o 19.95000 1.049000  0.3415000      2.097000  
1 1 1 10  4  4  o 45.04000 0.6211000 -0.7618000E-01 1.242000  
1 1 1 10  4  5  o 10.94000 2.123000  1.825000       4.245000  
1 1 1 10  4  6  o 12.73000 2.064000  0.1547000      4.128000  
1 1 1 10  4  7  o 11.86000 2.093000  6.760000       4.186000  
1 1 1 10  4  8  o 23.97000 1.195000  -1.347000      2.390000  
1 1 1 10  4  9  o 28.90000 1.108000  -3.110000      2.216000  
1 1 1 10  4  10 o 55.70000 0.7008000 0.4739000      1.402000  
1 1 1 10  4  11 o 45.33000 0.7779000 -0.8129000     1.556000  
1 1 1 10  4  12 o 7.054000 2.207000  -0.9685000     4.414000  
1 1 1 10  4  13 o 11.78000 2.283000  7.510000       4.567000  
1 1 1 10  4  14 o 17.37000 1.788000  -0.7664000     3.576000  
1 1 1 10  4  15 o 22.58000 1.342000  0.3114000      2.683000  
1 1 1 10  4  16 o 12.29000 2.409000  -2.269000      4.818000  
1 1 1 10  4  17 o 21.17000 1.474000  0.3317000      2.948000  
1 1 1 10  4  18 o 29.89000 1.013000  -0.5457000     2.026000  
1 1 1 10  4  19 o 9.357000 2.772000  1.673000       5.545000  
1 1 1 10  4  20 o 9.495000 2.694000  4.253000       5.389000  
1 1 1 10  5  0  f 19.00000 0.9875000 -2.273000      1.975000  
1 1 1 10  5  1  o 74.91000 0.6124000 -1.483000      1.225000  
1 1 1 10  5  2  o 86.17000 0.6721000 0.3534000      1.344000  
1 1 1 10  5  3  o 117.4000 0.8628000 1.953000       1.726000  
1 1 1 10  5  4  o 91.63000 0.7149000 0.9429000      1.430000  
1 1 1 10  5  5  o 65.06000 0.6286000 1.265000       1.257000  
1 1 1 10  5  6  o 9.177000 2.264000  1.627000       4.527000  
1 1 1 10  5  7  o 53.77000 0.8048000 0.4301000      1.610000  
1 1 1 10  5  8  o 19.46000 1.577000  -1.087000      3.153000  
1 1 1 10  5  9  o 66.85000 0.6816000 -1.417000      1.363000  
1 1 1 10  5  10 o 56.73000 0.7076000 -0.2725000     1.415000  
1 1 1 10  5  11 f 16.56000 1.981000  0.6362000      3.963000  
1 1 1 10  5  12 o 8.209000 2.397000  0.6872000      4.793000  
1 1 1 10  5  13 o 24.65000 1.272000  -2.050000      2.545000  
1 1 1 10  5  14 o 19.97000 1.491000  0.2315000      2.983000  
1 1 1 10  5  15 o 7.331000 2.183000  3.247000       4.365000  
1 1 1 10  5  16 o 10.08000 2.174000  7.782000       4.348000  
1 1 1 10  5  17 o 13.79000 2.088000  3.291000       4.176000  
1 1 1 10  5  18 o 8.590000 2.558000  3.573000       5.117000  
1 1 1 10  5  19 o 11.06000 2.900000  -0.3499000E-01 5.801000  
1 1 1 10  5  20 o 8.303000 2.542000  -0.1416000     5.084000  
1 1 1 10  6  0  o 28.22000 0.7169000 -0.3011000     1.434000  
1 1 1 10  6  1  o 34.87000 0.6268000 1.095000       1.254000  
1 1 1 10  6  2  o 10.89000 1.888000  -0.2342000     3.777000  
1 1 1 10  6  3  o 9.521000 2.105000  -0.5869000     4.210000  
1 1 1 10  6  4  o 66.49000 0.6187000 -0.2324000     1.237000  
1 1 1 10  6  5  o 21.57000 1.211000  0.1013000      2.423000  
1 1 1 10  6  6  o 20.61000 1.331000  -3.136000      2.662000  
1 1 1 10  6  7  o 11.10000 2.353000  0.6692000      4.706000  
1 1 1 10  6  8  o 25.39000 1.255000  0.3596000      2.510000  
1 1 1 10  6  9  o 37.19000 0.8960000 1.839000       1.792000  
1 1 1 10  6  10 f 7.714000 2.328000  0.3410000E-01  4.656000  
1 1 1 10  6  11 o 11.72000 2.457000  1.122000       4.914000  
1 1 1 10  6  12 o 16.29000 1.922000  -1.697000      3.843000  
1 1 1 10  6  13 o 42.01000 0.8109000 0.1604000      1.622000  
1 1 1 10  6  14 o 14.69000 2.122000  3.133000       4.245000  
1 1 1 10  6  15 o 30.82000 1.016000  -0.5793000     2.033000  
1 1 1 10  6  16 o 20.68000 1.580000  -3.708000      3.159000  
1 1 1 10  6  17 o 8.311000 2.284000  3.151000       4.568000  
1 1 1 10  6  18 o 15.56000 2.770000  -3.625000      5.541000  
1 1 1 10  6  19 o 26.84000 1.671000  -1.984000      3.342000  
1 1 1 10  6  20 o 34.67000 1.245000  -1.358000      2.491000  
1 1 1 10  7  0  o 85.40000 0.6667000 -0.7799000     1.333000  
1 1 1 10  7  1  o 32.25000 0.7118000 -0.2163000E-01 1.424000  
1 1 1 10  7  2  o 59.26000 0.5755000 0.4108000      1.151000  
1 1 1 10  7  3  o 112.6000 0.8371000 -3.188000      1.674000  
1 1 1 10  7  4  o 25.22000 0.9918000 -1.013000      1.984000  
1 1 1 10  7  5  o 139.6000 1.018000  -1.427000      2.036000  
1 1 1 10  7  6  o 69.72000 0.6655000 1.098000       1.331000  
1 1 1 10  7  7  o 12.20000 2.217000  -4.359000      4.433000  
1 1 1 10  7  8  o 30.51000 1.068000  -0.2510000     2.136000  
1 1 1 10  7  9  o 29.42000 1.080000  -4.358000      2.161000  
1 1 1 10  7  10 f 37.40000 0.9269000 0.4286000      1.854000  
1 1 1 10  7  11 o 34.51000 0.9143000 2.479000       1.829000  
1 1 1 10  7  12 o 10.73000 2.426000  0.9034000      4.852000  
1 1 1 10  7  13 o 25.99000 1.165000  1.926000       2.331000  
1 1 1 10  7  14 o 8.985000 2.320000  4.171000       4.639000  
1 1 1 10  7  15 o 13.78000 2.098000  -8.147000      4.196000  
1 1 1 10  7  16 o 9.439000 2.443000  2.824000       4.885000  
1 1 1 10  7  17 o 8.969000 2.767000  -0.9265000     5.534000  
1 1 1 10  7  18 f 11.48000 2.692000  -5.926000      5.384000  
1 1 1 10  7  19 o 6.994000 2.314000  0.9654000      4.627000  
1 1 1 10  7  20 o 7.873000 2.485000  -0.4663000E-02 4.969000  
1 1 1 10  8  0  o 28.31000 0.7632000 1.242000       1.526000  
1 1 1 10  8  1  o 22.86000 0.9872000 0.5866000      1.974000  
1 1 1 10  8  2  o 45.78000 0.7390000 -1.463000      1.478000  
1 1 1 10  8  3  o 19.68000 1.288000  -1.320000      2.576000  
1 1 1 10  8  4  o 39.02000 0.7426000 -0.2701000     1.485000  
1 1 1 10  8  5  o 19.06000 1.417000  4.636000       2.834000  
1 1 1 10  8  6  o 12.45000 2.199000  3.924000       4.399000  
1 1 1 10  8  7  o 18.52000 1.611000  -1.946000      3.223000  
1 1 1 10  8  8  o 8.552000 2.266000  -3.311000      4.531000  
1 1 1 10  8  9  o 13.33000 2.253000  -0.5645000     4.506000  
1 1 1 10  8  10 o 12.41000 2.281000  3.548000       4.562000  
1 1 1 10  8  11 o 11.66000 2.350000  1.541000       4.701000  
1 1 1 10  8  12 o 7.205000 2.197000  -1.430000      4.393000  
1 1 1 10  8  13 f 33.20000 0.9140000 -1.649000      1.828000  
1 1 1 10  8  14 o 15.57000 1.932000  -0.4677000     3.864000  
1 1 1 10  8  15 o 34.98000 0.8907000 -0.1246000     1.781000  
1 1 1 10  8  16 o 19.31000 2.564000  5.252000       5.128000  
1 1 1 10  8  17 o 14.73000 2.695000  -1.118000      5.389000  
1 1 1 10  8  18 o 8.033000 2.476000  2.847000       4.952000  
1 1 1 10  8  19 o 12.45000 2.776000  -7.150000      5.552000  
1 1 1 10  8  20 o 9.843000 2.517000  7.057000       5.034000  
1 1 1 10  9  0  o 59.76000 0.5802000 0.1358000      1.160000  
1 1 1 10  9  1  o 32.83000 0.7574000 1.203000       1.515000  
1 1 1 10  9  2  o 32.41000 0.8094000 0.8843000      1.619000  
1 1 1 10  9  3  o 34.11000 0.8132000 -0.7047000     1.626000  
1 1 1 10  9  4  o 93.52000 0.7409000 -1.494000      1.482000  
1 1 1 10  9  5  o 111.2000 0.8447000 -0.6880000     1.689000  
1 1 1 10  9  6  o 36.75000 0.8426000 -3.417000      1.685000  
1 1 1 10  9  7  o 47.84000 0.7063000 1.092000       1.413000  
1 1 1 10  9  8  o 34.39000 0.9219000 -0.2938000E-01 1.844000  
1 1 1 10  9  9  o 38.64000 0.8380000 -0.6942000     1.676000  
1 1 1 10  9  10 o 26.68000 1.109000  -0.3259000     2.218000  
1 1 1 10  9  11 o 7.328000 2.215000  2.041000       4.430000  
1 1 1 10  9  12 o 15.10000 2.098000  0.1735000      4.196000  
1 1 1 10  9  13 o 18.67000 1.804000  -7.992000      3.608000  
1 1 1 10  9  14 o 27.47000 1.157000  -0.8548000     2.314000  
1 1 1 10  9  15 o 8.320000 2.525000  2.127000       5.049000  
1 1 1 10  9  16 o 7.629000 2.466000  2.476000       4.933000  
1 1 1 10  9  17 o 6.622000 2.257000  0.2673000      4.513000  
1 1 1 10  9  18 o 9.852000 2.668000  -7.795000      5.336000  
1 1 1 10  9  19 o 6.827000 2.306000  -0.8606000     4.612000  
1 1 1 10  9  20 o 7.262000 2.356000  3.141000       4.712000  
1 1 1 10  10 0  f 32.06000 0.9124000 -1.164000      1.825000  
1 1 1 10  10 1  o 7.437000 2.121000  0.5807000      4.242000  
1 1 1 10  10 2  o 37.07000 0.9288000 1.574000       1.858000  
1 1 1 10  10 3  o 14.07000 1.895000  -9.358000      3.789000  
1 1 1 10  10 4  o 28.02000 0.9780000 -1.782000      1.956000  
1 1 1 10  10 5  o 30.42000 0.9552000 -4.338000      1.910000  
1 1 1 10  10 6  o 39.94000 0.7830000 -0.6947000     1.566000  
1 1 1 10  10 7  o 31.60000 0.9109000 0.1093000      1.822000  
1 1 1 10  10 8  o 38.82000 0.7958000 -1.017000      1.592000  
1 1 1 10  10 9  o 20.90000 1.444000  8.136000       2.889000  
1 1 1 10  10 10 o 10.61000 2.301000  4.320000       4.601000  
1 1 1 10  10 11 o 9.908000 2.193000  6.583000       4.385000  
1 1 1 10  10 12 o 23.68000 1.230000  -0.5448000     2.460000  
1 1 1 10  10 13 o 30.78000 1.001000  0.2105000      2.002000  
1 1 1 10  10 14 o 12.61000 3.061000  -1.654000      6.123000  
1 1 1 10  10 15 o 28.99000 1.706000  -1.070000      3.412000  
1 1 1 10  10 16 f 14.38000 3.015000  -3.174000      6.030000  
1 1 1 10  10 17 o 12.46000 2.987000  -5.611000      5.974000  
1 1 1 10  10 18 o 8.304000 2.620000  -3.620000      5.240000  
1 1 1 10  10 19 o 10.41000 2.908000  -5.325000      5.815000  
1 1 1 10  10 20 o 6.793000 3.246000  ?              ?         
1 1 1 10  11 0  o 78.02000 0.7575000 -2.383000      1.515000  
1 1 1 10  11 1  f 44.75000 0.7599000 -2.420000      1.520000  
1 1 1 10  11 2  o 52.80000 0.6953000 0.5541000      1.391000  
1 1 1 10  11 3  o 44.00000 0.7750000 1.603000       1.550000  
1 1 1 10  11 4  o 33.98000 0.8610000 -4.086000      1.722000  
1 1 1 10  11 5  o 29.87000 0.9273000 1.295000       1.855000  
1 1 1 10  11 6  o 58.20000 0.6619000 -2.162000      1.324000  
1 1 1 10  11 7  o 50.11000 0.7010000 0.2203000      1.402000  
1 1 1 10  11 8  o 14.82000 1.941000  -6.999000      3.883000  
1 1 1 10  11 9  o 12.18000 2.195000  -3.225000      4.390000  
1 1 1 10  11 10 o 11.03000 2.302000  4.380000       4.605000  
1 1 1 10  11 11 o 7.673000 2.280000  0.2205000      4.559000  
1 1 1 10  11 12 o 17.66000 1.865000  -3.122000      3.730000  
1 1 1 10  11 13 o 8.496000 2.689000  0.6544000      5.379000  
1 1 1 10  11 14 o 8.391000 2.663000  -2.694000      5.325000  
1 1 1 10  11 15 o 9.868000 2.783000  -4.551000      5.566000  
1 1 1 10  11 16 o 7.891000 2.526000  0.6882000      5.052000  
1 1 1 10  11 17 o 9.793000 2.709000  4.679000       5.419000  
1 1 1 10  11 18 o 9.177000 2.659000  3.185000       5.319000  
1 1 1 10  11 19 o 5.866000 2.069000  -0.5641000     4.139000  
1 1 1 10  12 0  o 26.23000 1.010000  -2.634000      2.021000  
1 1 1 10  12 1  o 30.12000 0.8954000 -1.015000      1.791000  
1 1 1 10  12 2  o 20.23000 1.501000  2.846000       3.001000  
1 1 1 10  12 3  o 18.57000 1.379000  3.700000       2.758000  
1 1 1 10  12 4  o 12.47000 2.007000  -4.964000      4.014000  
1 1 1 10  12 5  o 9.110000 2.198000  -4.011000      4.395000  
1 1 1 10  12 6  o 8.835000 2.291000  -0.4464000     4.582000  
1 1 1 10  12 7  o 18.48000 1.570000  -3.186000      3.141000  
1 1 1 10  12 8  o 7.616000 2.174000  -0.4919000     4.349000  
1 1 1 10  12 9  o 7.131000 2.130000  2.187000       4.260000  
1 1 1 10  12 10 o 6.406000 1.997000  -1.595000      3.994000  
1 1 1 10  12 11 o 8.571000 2.462000  -0.8770000     4.923000  
1 1 1 10  12 12 o 12.83000 3.023000  -5.592000      6.046000  
1 1 1 10  12 13 o 8.803000 2.705000  2.114000       5.411000  
1 1 1 10  12 14 o 11.13000 2.968000  1.092000       5.936000  
1 1 1 10  12 15 o 6.846000 2.317000  -0.5514000     4.633000  
1 1 1 10  12 16 o 6.091000 2.127000  -0.4606000     4.254000  
1 1 1 10  12 17 o 6.593000 2.251000  -1.318000      4.502000  
1 1 1 10  12 18 o 6.077000 2.122000  -0.2322000     4.244000  
1 1 1 10  13 0  o 55.69000 0.7121000 -0.6246000     1.424000  
1 1 1 10  13 1  o 33.36000 0.8394000 -1.767000      1.679000  
1 1 1 10  13 2  o 23.94000 1.261000  -1.174000      2.521000  
1 1 1 10  13 3  o 24.61000 1.144000  -5.303000      2.288000  
1 1 1 10  13 4  o 8.634000 2.205000  -1.154000      4.409000  
1 1 1 10  13 5  o 16.16000 1.725000  4.663000       3.449000  
1 1 1 10  13 6  o 26.41000 1.050000  -4.640000      2.100000  
1 1 1 10  13 7  o 34.58000 0.8299000 -1.044000      1.660000  
1 1 1 10  13 8  o 23.49000 1.176000  -2.002000      2.352000  
1 1 1 10  13 9  o 8.008000 2.202000  4.769000       4.404000  
1 1 1 10  13 10 o 16.15000 2.827000  -2.987000      5.654000  
1 1 1 10  13 11 o 11.62000 2.975000  3.008000       5.949000  
1 1 1 10  13 12 o 9.667000 2.809000  1.916000       5.617000  
1 1 1 10  13 13 o 8.479000 2.623000  2.285000       5.246000  
1 1 1 10  13 14 o 7.128000 2.390000  -1.905000      4.780000  
1 1 1 10  13 15 o 10.48000 2.939000  -0.7935000     5.879000  
1 1 1 10  13 16 o 6.941000 2.361000  0.9127000E-01  4.722000  
1 1 1 10  13 17 o 5.098000 1.823000  0.3558000      3.647000  
1 1 1 10  14 0  o 15.24000 1.798000  0.3568000      3.596000  
1 1 1 10  14 1  o 32.65000 0.8261000 -2.264000      1.652000  
1 1 1 10  14 2  o 24.32000 1.094000  0.5759000E-01  2.188000  
1 1 1 10  14 3  o 8.515000 2.166000  1.446000       4.331000  
1 1 1 10  14 4  o 5.424000 1.806000  -1.721000      3.611000  
1 1 1 10  14 5  o 17.10000 1.487000  -2.881000      2.974000  
1 1 1 10  14 6  o 15.33000 1.944000  -2.532000      3.887000  
1 1 1 10  14 7  f 10.00000 3.478000  ?              ?         
1 1 1 10  14 8  o 18.78000 2.222000  ?              ?         
1 1 1 10  14 9  o 9.087000 3.359000  ?              ?         
1 1 1 10  14 10 o 10.54000 3.451000  ?              ?         
1 1 1 10  14 11 o 11.16000 3.489000  ?              ?         
1 1 1 10  14 12 o 6.676000 3.055000  ?              ?         
1 1 1 10  14 13 o 6.866000 3.056000  ?              ?         
1 1 1 10  14 14 o 10.89000 2.787000  -6.672000      5.575000  
1 1 1 10  14 15 o 12.46000 2.927000  5.490000       5.854000  
1 1 1 10  15 0  o 15.15000 1.829000  -0.9458000     3.657000  
1 1 1 10  15 1  o 6.075000 1.975000  -0.3603000     3.950000  
1 1 1 10  15 2  o 21.40000 1.398000  -5.012000      2.796000  
1 1 1 10  15 3  o 15.18000 2.269000  ?              ?         
1 1 1 10  15 4  o 10.74000 3.042000  ?              ?         
1 1 1 10  15 5  o 5.054000 2.426000  ?              ?         
1 1 1 10  15 6  o 8.145000 3.203000  ?              ?         
1 1 1 10  15 7  o 13.86000 3.055000  ?              ?         
1 1 1 10  15 8  o 10.51000 3.390000  ?              ?         
1 1 1 10  15 9  o 6.996000 3.084000  ?              ?         
1 1 1 10  15 10 o 10.42000 3.458000  ?              ?         
1 1 1 10  15 11 o 10.19000 3.551000  ?              ?         
1 1 1 10  15 12 o 10.23000 3.565000  ?              ?         
1 1 1 10  15 13 o 9.889000 3.552000  ?              ?         
1 1 1 10  16 0  o 14.74000 2.509000  ?              ?         
1 1 1 10  16 1  o 13.07000 2.560000  ?              ?         
1 1 1 10  16 2  o 8.021000 2.914000  ?              ?         
1 1 1 10  16 3  o 14.30000 2.374000  ?              ?         
1 1 1 10  16 4  o 22.05000 1.669000  ?              ?         
1 1 1 10  16 5  o 6.531000 2.921000  ?              ?         
1 1 1 10  16 6  o 5.556000 2.643000  ?              ?         
1 1 1 10  16 7  o 8.454000 3.294000  ?              ?         
1 1 1 10  16 8  o 5.353000 2.586000  ?              ?         
1 1 1 10  16 9  o 12.01000 3.433000  ?              ?         
1 1 1 10  16 10 o 9.212000 3.403000  ?              ?         
1 1 1 10  16 11 o 7.783000 3.271000  ?              ?         
1 1 1 10  16 12 o 4.523000 2.273000  ?              ?         
1 1 1 10  17 7  o 6.452000 2.943000  ?              ?         
1 1 1 10  17 8  o 10.95000 3.472000  ?              ?         
1 1 1 10  17 9  o 10.45000 3.497000  ?              ?         
1 1 1 11  0  0  o 13.79000 2.010000  0.000000       0.000000  
1 1 1 11  0  1  o 75.85000 0.8654000 0.000000       0.000000  
1 1 1 11  0  2  o 13.26000 2.601000  0.000000       0.000000  
1 1 1 11  0  3  o 4.734000 3.052000  0.000000       0.000000  
1 1 1 11  0  4  o 9.364000 3.760000  0.000000       0.000000  
1 1 1 11  0  5  o 42.00000 0.9738000 0.000000       0.000000  
1 1 1 11  0  6  o 42.22000 0.9880000 0.000000       0.000000  
1 1 1 11  0  7  o 39.14000 1.112000  0.000000       0.000000  
1 1 1 11  0  8  o 3.467000 2.492000  0.000000       0.000000  
1 1 1 11  0  9  o 28.54000 1.529000  0.000000       0.000000  
1 1 1 11  0  10 o 27.14000 1.693000  0.000000       0.000000  
1 1 1 11  0  11 o 10.53000 4.116000  0.000000       0.000000  
1 1 1 11  0  12 o 34.92000 1.379000  0.000000       0.000000  
1 1 1 11  0  13 o 10.78000 4.216000  0.000000       0.000000  
1 1 1 11  0  14 o 21.47000 1.905000  0.000000       0.000000  
1 1 1 11  0  15 o 4.712000 3.126000  0.000000       0.000000  
1 1 1 11  0  16 o 6.279000 3.692000  0.000000       0.000000  
1 1 1 11  0  17 o 15.86000 4.463000  0.000000       0.000000  
1 1 1 11  0  18 f 4.296000 2.999000  0.000000       0.000000  
1 1 1 11  0  19 o 12.38000 4.380000  0.000000       0.000000  
1 1 1 11  1  0  o 51.40000 0.5357000 0.5719000      1.071000  
1 1 1 11  1  1  o 83.41000 0.6567000 0.1246000      1.313000  
1 1 1 11  1  2  o 69.72000 0.6070000 -1.483000      1.214000  
1 1 1 11  1  3  o 56.50000 0.5979000 -0.6450000     1.196000  
1 1 1 11  1  4  o 19.48000 1.262000  3.301000       2.525000  
1 1 1 11  1  5  o 57.56000 0.6268000 1.959000       1.254000  
1 1 1 11  1  6  o 23.92000 1.094000  -1.346000      2.188000  
1 1 1 11  1  7  o 37.87000 0.7927000 -0.3346000     1.585000  
1 1 1 11  1  8  o 27.14000 1.091000  2.078000       2.183000  
1 1 1 11  1  9  o 116.4000 0.8840000 -1.466000      1.768000  
1 1 1 11  1  10 o 60.16000 0.7238000 2.298000       1.448000  
1 1 1 11  1  11 o 37.35000 1.109000  1.516000       2.218000  
1 1 1 11  1  12 o 31.07000 1.015000  0.3946000      2.029000  
1 1 1 11  1  13 f 35.82000 0.8984000 0.1688000      1.797000  
1 1 1 11  1  14 o 19.31000 1.553000  2.722000       3.107000  
1 1 1 11  1  15 o 21.87000 1.711000  -0.4415000     3.421000  
1 1 1 11  1  16 o 11.88000 2.236000  -5.746000      4.472000  
1 1 1 11  1  17 o 12.20000 2.285000  0.8987000      4.571000  
1 1 1 11  1  18 f 8.896000 2.345000  -0.8896000     4.690000  
1 1 1 11  1  19 o 8.173000 2.410000  4.991000       4.819000  
1 1 1 11  2  0  o 43.45000 0.5502000 0.4432000      1.100000  
1 1 1 11  2  1  o 42.76000 0.5888000 1.149000       1.178000  
1 1 1 11  2  2  o 56.99000 0.5708000 0.8426000      1.142000  
1 1 1 11  2  3  o 18.20000 1.309000  2.116000       2.618000  
1 1 1 11  2  4  o 13.05000 1.879000  -0.7713000     3.758000  
1 1 1 11  2  5  o 20.22000 1.768000  -4.364000      3.536000  
1 1 1 11  2  6  o 14.07000 1.923000  -2.984000      3.846000  
1 1 1 11  2  7  o 10.49000 2.280000  4.555000       4.560000  
1 1 1 11  2  8  o 18.50000 1.625000  -1.564000      3.249000  
1 1 1 11  2  9  o 13.98000 2.228000  2.700000       4.457000  
1 1 1 11  2  10 o 28.46000 1.095000  0.8419000      2.191000  
1 1 1 11  2  11 o 20.13000 1.616000  6.362000       3.231000  
1 1 1 11  2  12 o 39.92000 0.8330000 -0.7424000     1.666000  
1 1 1 11  2  13 o 27.24000 1.136000  -2.064000      2.272000  
1 1 1 11  2  14 o 13.11000 2.084000  7.285000       4.168000  
1 1 1 11  2  15 o 30.07000 0.9936000 0.7455000E-01  1.987000  
1 1 1 11  2  16 o 16.17000 1.897000  -1.467000      3.793000  
1 1 1 11  2  17 o 9.204000 2.363000  -1.303000      4.727000  
1 1 1 11  2  18 o 29.62000 1.024000  -0.1041000     2.048000  
1 1 1 11  2  19 o 9.493000 2.675000  -1.826000      5.350000  
1 1 1 11  3  0  o 13.48000 1.834000  -0.3312000     3.667000  
1 1 1 11  3  1  o 50.96000 0.5667000 1.349000       1.133000  
1 1 1 11  3  2  o 31.92000 0.7105000 1.030000       1.421000  
1 1 1 11  3  3  o 37.32000 0.6776000 0.7959000      1.355000  
1 1 1 11  3  4  o 20.34000 1.223000  0.4075000E-01  2.446000  
1 1 1 11  3  5  o 72.29000 0.6509000 -0.1542000     1.302000  
1 1 1 11  3  6  o 36.96000 0.7957000 -1.055000      1.591000  
1 1 1 11  3  7  o 23.54000 1.269000  5.695000       2.537000  
1 1 1 11  3  8  o 51.82000 0.7214000 -1.362000      1.443000  
1 1 1 11  3  9  o 51.20000 0.7286000 1.934000       1.457000  
1 1 1 11  3  10 o 34.03000 0.9440000 -2.131000      1.888000  
1 1 1 11  3  11 o 6.156000 2.000000  -2.043000      4.001000  
1 1 1 11  3  12 o 40.81000 0.8202000 -0.4701000     1.640000  
1 1 1 11  3  13 o 33.68000 0.9037000 -0.6943000     1.807000  
1 1 1 11  3  14 o 34.75000 0.9425000 -0.1427000     1.885000  
1 1 1 11  3  15 o 27.41000 1.168000  -3.349000      2.335000  
1 1 1 11  3  16 o 8.648000 2.352000  1.831000       4.703000  
1 1 1 11  3  17 o 11.83000 2.318000  3.685000       4.636000  
1 1 1 11  3  18 o 19.00000 1.930000  3.663000       3.860000  
1 1 1 11  3  19 f 9.401000 2.678000  3.936000       5.356000  
1 1 1 11  4  0  o 66.74000 0.5900000 -2.096000      1.180000  
1 1 1 11  4  1  o 59.59000 0.5767000 -1.604000      1.153000  
1 1 1 11  4  2  o 15.45000 1.455000  5.788000       2.910000  
1 1 1 11  4  3  o 12.77000 1.843000  -4.325000      3.687000  
1 1 1 11  4  4  o 32.63000 0.7943000 -1.456000      1.589000  
1 1 1 11  4  5  o 39.10000 0.7350000 0.9502000      1.470000  
1 1 1 11  4  6  o 35.22000 0.8412000 1.117000       1.682000  
1 1 1 11  4  7  o 67.63000 0.6703000 0.4990000E-01  1.341000  
1 1 1 11  4  8  o 10.91000 2.299000  4.539000       4.598000  
1 1 1 11  4  9  o 29.01000 1.094000  -3.005000      2.188000  
1 1 1 11  4  10 f 15.98000 2.031000  0.4323000E-01  4.061000  
1 1 1 11  4  11 o 9.871000 2.470000  -0.3633000     4.939000  
1 1 1 11  4  12 o 33.10000 0.9806000 1.414000       1.961000  
1 1 1 11  4  13 o 13.33000 2.181000  5.505000       4.363000  
1 1 1 11  4  14 o 41.66000 0.8126000 -2.057000      1.625000  
1 1 1 11  4  15 o 9.626000 2.389000  2.349000       4.778000  
1 1 1 11  4  16 o 11.58000 2.389000  1.037000       4.778000  
1 1 1 11  4  17 o 21.18000 1.446000  1.874000       2.892000  
1 1 1 11  4  18 o 24.46000 1.881000  2.918000       3.762000  
1 1 1 11  4  19 o 21.30000 2.078000  -0.8186000     4.155000  
1 1 1 11  4  20 o 6.335000 3.052000  ?              ?         
1 1 1 11  5  0  o 21.15000 0.9601000 -1.262000      1.920000  
1 1 1 11  5  1  o 38.87000 0.6282000 0.3578000      1.256000  
1 1 1 11  5  2  f 49.68000 0.6074000 -0.1363000     1.215000  
1 1 1 11  5  3  f 66.23000 0.6118000 1.638000       1.224000  
1 1 1 11  5  4  o 32.56000 0.7921000 0.2893000      1.584000  
1 1 1 11  5  5  o 91.89000 0.7370000 -1.890000      1.474000  
1 1 1 11  5  6  o 45.79000 0.7209000 -1.141000      1.442000  
1 1 1 11  5  7  o 100.6000 0.7919000 -0.2763000     1.584000  
1 1 1 11  5  8  o 58.49000 0.6938000 -0.2408000E-01 1.388000  
1 1 1 11  5  9  f 28.16000 1.103000  -0.8698000     2.207000  
1 1 1 11  5  10 o 14.55000 2.213000  1.351000       4.425000  
1 1 1 11  5  11 o 31.53000 1.257000  -0.6236000     2.513000  
1 1 1 11  5  12 o 27.68000 1.118000  -3.456000      2.235000  
1 1 1 11  5  13 o 28.74000 1.081000  2.035000       2.162000  
1 1 1 11  5  14 o 42.48000 0.8157000 -0.8533000     1.631000  
1 1 1 11  5  15 o 34.82000 0.9111000 3.308000       1.822000  
1 1 1 11  5  16 o 21.67000 1.369000  -0.5943000     2.738000  
1 1 1 11  5  17 o 13.91000 2.677000  8.505000       5.354000  
1 1 1 11  5  18 o 7.051000 2.347000  -0.4526000     4.694000  
1 1 1 11  5  19 o 15.01000 2.539000  -5.439000      5.078000  
1 1 1 11  5  20 o 5.694000 2.782000  ?              ?         
1 1 1 11  6  0  o 25.94000 0.8451000 0.2591000      1.690000  
1 1 1 11  6  1  o 72.46000 0.6156000 -1.583000      1.231000  
1 1 1 11  6  2  o 29.93000 0.8105000 -0.7102000     1.621000  
1 1 1 11  6  3  o 22.32000 1.077000  -1.060000      2.154000  
1 1 1 11  6  4  o 57.28000 0.6238000 -0.8705000     1.248000  
1 1 1 11  6  5  o 42.09000 0.7190000 0.5552000      1.438000  
1 1 1 11  6  6  o 28.95000 1.030000  0.3930000      2.060000  
1 1 1 11  6  7  o 23.65000 1.277000  -0.1420000     2.554000  
1 1 1 11  6  8  o 14.39000 2.136000  8.511000       4.271000  
1 1 1 11  6  9  o 18.98000 1.725000  6.241000       3.449000  
1 1 1 11  6  10 o 20.86000 1.507000  0.7236000      3.014000  
1 1 1 11  6  11 o 21.30000 1.448000  -3.331000      2.897000  
1 1 1 11  6  12 o 15.50000 1.946000  -1.382000      3.892000  
1 1 1 11  6  13 o 12.36000 2.342000  -1.588000      4.684000  
1 1 1 11  6  14 o 13.76000 2.264000  3.101000       4.528000  
1 1 1 11  6  15 o 10.01000 2.299000  -4.496000      4.598000  
1 1 1 11  6  16 o 19.79000 1.998000  0.8943000      3.997000  
1 1 1 11  6  17 o 8.285000 2.443000  -5.631000      4.886000  
1 1 1 11  6  18 o 9.413000 2.743000  0.4879000      5.487000  
1 1 1 11  6  19 o 9.050000 2.483000  5.102000       4.966000  
1 1 1 11  6  20 o 6.749000 3.150000  ?              ?         
1 1 1 11  7  0  o 10.71000 1.788000  7.071000       3.576000  
1 1 1 11  7  1  o 72.48000 0.6261000 0.2503000      1.252000  
1 1 1 11  7  2  o 24.13000 0.9882000 1.171000       1.976000  
1 1 1 11  7  3  o 44.93000 0.9279000 0.6953000E-01  1.856000  
1 1 1 11  7  4  o 130.5000 0.9591000 0.9742000      1.918000  
1 1 1 11  7  5  o 86.43000 0.7117000 0.6104000E-02  1.423000  
1 1 1 11  7  6  f 20.95000 1.341000  -2.130000      2.682000  
1 1 1 11  7  7  o 41.12000 0.8086000 -0.1319000     1.617000  
1 1 1 11  7  8  o 66.69000 0.6872000 0.5851000      1.374000  
1 1 1 11  7  9  o 18.86000 1.662000  4.866000       3.323000  
1 1 1 11  7  10 o 42.21000 0.7962000 -0.1779000     1.592000  
1 1 1 11  7  11 o 20.46000 1.468000  1.978000       2.937000  
1 1 1 11  7  12 o 41.42000 0.8240000 0.1296000      1.648000  
1 1 1 11  7  13 o 59.20000 0.6968000 2.438000       1.394000  
1 1 1 11  7  14 o 12.64000 2.311000  -3.793000      4.623000  
1 1 1 11  7  15 o 14.80000 2.171000  -3.543000      4.342000  
1 1 1 11  7  16 o 17.47000 2.796000  1.758000       5.593000  
1 1 1 11  7  17 o 7.598000 2.446000  0.1967000E-01  4.891000  
1 1 1 11  7  18 o 7.894000 2.511000  -0.1345000     5.022000  
1 1 1 11  7  19 o 6.532000 2.182000  1.275000       4.365000  
1 1 1 11  7  20 o 7.453000 3.392000  ?              ?         
1 1 1 11  8  0  o 22.88000 0.9848000 -0.4485000     1.970000  
1 1 1 11  8  1  o 34.81000 0.7264000 0.7588000      1.453000  
1 1 1 11  8  2  o 7.475000 2.115000  1.278000       4.230000  
1 1 1 11  8  3  o 31.67000 0.8625000 -1.310000      1.725000  
1 1 1 11  8  4  o 54.76000 0.6456000 -1.878000      1.291000  
1 1 1 11  8  5  o 37.42000 0.7842000 1.252000       1.568000  
1 1 1 11  8  6  o 34.16000 0.8597000 1.912000       1.719000  
1 1 1 11  8  7  o 12.06000 2.116000  -5.105000      4.232000  
1 1 1 11  8  8  o 14.51000 2.032000  -4.777000      4.064000  
1 1 1 11  8  9  o 8.036000 2.286000  -0.4465000     4.573000  
1 1 1 11  8  10 o 6.534000 2.080000  0.2284000      4.159000  
1 1 1 11  8  11 o 8.261000 2.334000  1.094000       4.668000  
1 1 1 11  8  12 o 13.80000 2.178000  1.185000       4.355000  
1 1 1 11  8  13 o 25.58000 1.142000  -2.662000      2.284000  
1 1 1 11  8  14 o 7.375000 2.226000  2.594000       4.452000  
1 1 1 11  8  15 o 10.40000 2.957000  -2.264000      5.914000  
1 1 1 11  8  16 o 8.392000 2.584000  1.845000       5.168000  
1 1 1 11  8  17 o 6.699000 2.240000  0.3054000      4.480000  
1 1 1 11  8  18 o 6.119000 2.102000  0.2307000      4.205000  
1 1 1 11  8  19 o 6.242000 2.130000  -0.1225000     4.260000  
1 1 1 11  8  20 o 5.129000 2.578000  ?              ?         
1 1 1 11  9  0  o 37.61000 0.6741000 -1.445000      1.348000  
1 1 1 11  9  1  o 16.10000 1.494000  1.431000       2.987000  
1 1 1 11  9  2  o 33.23000 0.7910000 -1.581000      1.582000  
1 1 1 11  9  3  o 38.69000 0.7563000 -3.070000      1.513000  
1 1 1 11  9  4  o 14.85000 1.821000  -2.123000      3.642000  
1 1 1 11  9  5  o 40.69000 0.7539000 -0.4000000     1.508000  
1 1 1 11  9  6  o 66.92000 0.6583000 1.329000       1.317000  
1 1 1 11  9  7  o 46.36000 0.7984000 -1.643000      1.597000  
1 1 1 11  9  8  o 47.06000 0.7176000 -0.7676000     1.435000  
1 1 1 11  9  9  o 32.67000 0.9302000 -0.5917000     1.860000  
1 1 1 11  9  10 o 21.39000 1.354000  2.593000       2.709000  
1 1 1 11  9  11 o 42.38000 0.7751000 -0.7964000     1.550000  
1 1 1 11  9  12 o 71.35000 0.7037000 -0.1240000     1.407000  
1 1 1 11  9  13 o 19.99000 2.167000  -5.462000      4.333000  
1 1 1 11  9  14 o 9.707000 2.743000  -3.410000      5.486000  
1 1 1 11  9  15 o 8.238000 2.595000  -0.6103000     5.190000  
1 1 1 11  9  16 o 10.44000 2.799000  -4.114000      5.598000  
1 1 1 11  9  17 o 8.497000 2.632000  -3.087000      5.264000  
1 1 1 11  9  18 o 9.046000 2.723000  0.9638000E-01  5.446000  
1 1 1 11  9  19 o 8.281000 2.579000  -4.454000      5.159000  
1 1 1 11  10 0  o 59.13000 0.7636000 -1.649000      1.527000  
1 1 1 11  10 1  o 24.66000 1.010000  0.5087000      2.019000  
1 1 1 11  10 2  o 35.95000 0.7350000 2.816000       1.470000  
1 1 1 11  10 3  o 25.78000 0.9914000 -0.4700000     1.983000  
1 1 1 11  10 4  o 26.46000 0.9790000 0.8162000      1.958000  
1 1 1 11  10 5  o 10.65000 2.261000  -0.8655000     4.523000  
1 1 1 11  10 6  o 9.689000 2.289000  -0.5099000     4.579000  
1 1 1 11  10 7  o 13.71000 2.011000  -4.551000      4.023000  
1 1 1 11  10 8  o 18.24000 1.607000  -2.994000      3.215000  
1 1 1 11  10 9  o 11.22000 2.161000  -5.049000      4.322000  
1 1 1 11  10 10 f 15.81000 1.871000  2.431000       3.742000  
1 1 1 11  10 11 o 14.47000 2.023000  1.432000       4.046000  
1 1 1 11  10 12 o 11.90000 2.480000  -4.263000      4.960000  
1 1 1 11  10 13 o 11.63000 3.033000  -0.6502000     6.066000  
1 1 1 11  10 14 o 9.860000 2.833000  1.808000       5.666000  
1 1 1 11  10 15 o 15.80000 2.809000  5.324000       5.617000  
1 1 1 11  10 16 o 7.520000 2.458000  -2.766000      4.916000  
1 1 1 11  10 17 o 6.833000 2.292000  0.3399000      4.585000  
1 1 1 11  10 18 o 6.374000 2.173000  0.8435000      4.346000  
1 1 1 11  10 19 o 5.509000 1.952000  -0.4162000     3.905000  
1 1 1 11  11 0  o 12.46000 2.044000  -2.877000      4.089000  
1 1 1 11  11 1  o 36.76000 0.8395000 -0.2008000     1.679000  
1 1 1 11  11 2  o 12.65000 1.888000  6.997000       3.776000  
1 1 1 11  11 3  o 19.76000 1.833000  -0.1099000E-01 3.667000  
1 1 1 11  11 4  o 9.542000 2.211000  2.495000       4.421000  
1 1 1 11  11 5  o 28.24000 0.9798000 3.310000       1.960000  
1 1 1 11  11 6  o 14.97000 1.816000  1.564000       3.632000  
1 1 1 11  11 7  o 7.169000 2.063000  4.187000       4.126000  
1 1 1 11  11 8  o 17.79000 1.574000  3.027000       3.148000  
1 1 1 11  11 9  o 16.17000 1.867000  -2.237000      3.733000  
1 1 1 11  11 10 o 23.03000 1.361000  -3.780000      2.721000  
1 1 1 11  11 12 o 14.87000 2.757000  -8.598000      5.514000  
1 1 1 11  11 13 o 10.14000 2.894000  -1.576000      5.787000  
1 1 1 11  11 14 o 9.048000 2.774000  -0.8488000E-01 5.548000  
1 1 1 11  11 15 o 6.028000 2.105000  -0.9354000     4.210000  
1 1 1 11  11 16 f 7.111000 2.365000  1.434000       4.729000  
1 1 1 11  11 17 o 5.990000 2.077000  -0.3063000     4.154000  
1 1 1 11  11 18 o 6.146000 2.146000  -1.529000      4.292000  
1 1 1 11  12 0  o 32.03000 0.8359000 -1.329000      1.672000  
1 1 1 11  12 1  o 10.49000 2.124000  3.046000       4.249000  
1 1 1 11  12 2  o 7.931000 2.058000  -7.031000      4.115000  
1 1 1 11  12 3  o 22.53000 1.109000  -0.2636000     2.218000  
1 1 1 11  12 4  o 23.54000 1.082000  -3.162000      2.164000  
1 1 1 11  12 5  o 20.39000 1.372000  -0.1109000     2.744000  
1 1 1 11  12 6  o 9.535000 2.132000  -3.340000      4.263000  
1 1 1 11  12 7  o 8.725000 2.255000  2.009000       4.510000  
1 1 1 11  12 8  o 7.962000 2.198000  4.535000       4.396000  
1 1 1 11  12 9  o 6.876000 2.331000  -1.478000      4.662000  
1 1 1 11  12 10 o 8.937000 2.634000  -6.026000      5.268000  
1 1 1 11  12 11 o 6.926000 2.341000  -0.8821000     4.681000  
1 1 1 11  12 12 o 6.362000 2.186000  -0.5423000     4.373000  
1 1 1 11  12 13 f 8.197000 2.599000  -1.505000      5.199000  
1 1 1 11  12 14 o 7.312000 2.427000  0.4241000      4.854000  
1 1 1 11  12 15 o 6.826000 2.310000  0.6303000      4.620000  
1 1 1 11  12 16 o 6.038000 2.103000  1.302000       4.206000  
1 1 1 11  12 17 o 7.348000 2.445000  -0.2496000E-01 4.891000  
1 1 1 11  13 0  o 19.80000 1.290000  0.5046000      2.581000  
1 1 1 11  13 1  o 26.72000 0.9520000 -1.990000      1.904000  
1 1 1 11  13 2  o 15.58000 1.889000  2.735000       3.778000  
1 1 1 11  13 3  o 10.96000 2.252000  -3.307000      4.504000  
1 1 1 11  13 4  o 25.53000 1.004000  0.3351000      2.008000  
1 1 1 11  13 5  o 6.966000 2.070000  -2.874000      4.140000  
1 1 1 11  13 6  o 16.95000 1.810000  4.421000       3.620000  
1 1 1 11  13 7  o 10.46000 3.366000  ?              ?         
1 1 1 11  13 8  o 10.65000 3.972000  ?              ?         
1 1 1 11  13 9  f 10.52000 2.896000  -1.661000      5.792000  
1 1 1 11  13 10 o 8.910000 2.718000  -1.515000      5.436000  
1 1 1 11  13 11 o 11.69000 2.974000  -0.7735000E-01 5.949000  
1 1 1 11  13 12 o 9.541000 2.798000  -3.353000      5.596000  
1 1 1 11  13 13 o 7.594000 2.426000  1.766000       4.851000  
1 1 1 11  13 14 o 8.830000 2.722000  -2.514000      5.443000  
1 1 1 11  13 15 o 8.959000 2.780000  -0.1299000     5.560000  
1 1 1 11  14 0  o 22.23000 1.166000  -0.7269000     2.332000  
1 1 1 11  14 1  o 17.15000 1.476000  -4.381000      2.951000  
1 1 1 11  14 2  o 13.00000 2.105000  0.7486000      4.210000  
1 1 1 11  14 3  o 9.633000 2.986000  ?              ?         
1 1 1 11  14 4  o 5.673000 2.595000  ?              ?         
1 1 1 11  14 5  o 5.589000 2.597000  ?              ?         
1 1 1 11  14 6  o 4.375000 2.182000  ?              ?         
1 1 1 11  14 7  o 6.752000 2.987000  ?              ?         
1 1 1 11  14 8  o 9.207000 3.381000  ?              ?         
1 1 1 11  14 9  o 6.675000 2.993000  ?              ?         
1 1 1 11  14 10 o 5.324000 2.591000  ?              ?         
1 1 1 11  14 11 o 7.336000 3.176000  ?              ?         
1 1 1 11  14 12 o 5.829000 2.035000  -0.8908000E-01 4.070000  
1 1 1 11  14 13 f 5.916000 2.084000  -1.547000      4.168000  
1 1 1 11  14 14 o 5.694000 2.021000  -0.6724000     4.043000  
1 1 1 11  15 0  o 17.74000 2.145000  ?              ?         
1 1 1 11  15 1  o 9.871000 3.408000  ?              ?         
1 1 1 11  15 2  o 5.611000 2.542000  ?              ?         
1 1 1 11  15 3  o 15.43000 1.966000  ?              ?         
1 1 1 11  15 4  o 10.14000 2.931000  ?              ?         
1 1 1 11  15 5  o 5.112000 2.436000  ?              ?         
1 1 1 11  15 6  o 8.435000 3.262000  ?              ?         
1 1 1 11  15 7  o 11.25000 3.343000  ?              ?         
1 1 1 11  15 8  o 14.86000 2.901000  ?              ?         
1 1 1 11  15 9  o 11.89000 3.388000  ?              ?         
1 1 1 11  15 10 o 7.391000 3.175000  ?              ?         
1 1 1 11  15 11 o 5.343000 2.588000  ?              ?         
1 1 1 11  15 12 o 8.667000 3.435000  ?              ?         
1 1 1 11  16 8  o 6.147000 2.855000  ?              ?         
1 1 1 11  16 9  o 8.303000 3.359000  ?              ?         
1 1 1 11  16 10 o 6.872000 3.078000  ?              ?         
1 1 1 12  0  0  o 26.34000 1.158000  0.000000       0.000000  
1 1 1 12  0  1  o 48.35000 0.8406000 0.000000       0.000000  
1 1 1 12  0  2  o 32.80000 1.153000  0.000000       0.000000  
1 1 1 12  0  3  o 19.50000 1.953000  0.000000       0.000000  
1 1 1 12  0  4  o 8.085000 3.961000  0.000000       0.000000  
1 1 1 12  0  5  o 56.82000 0.9516000 0.000000       0.000000  
1 1 1 12  0  6  o 8.168000 4.048000  0.000000       0.000000  
1 1 1 12  0  7  o 20.91000 2.140000  0.000000       0.000000  
1 1 1 12  0  8  o 32.81000 1.343000  0.000000       0.000000  
1 1 1 12  0  9  o 11.34000 4.018000  0.000000       0.000000  
1 1 1 12  0  10 o 41.75000 1.092000  0.000000       0.000000  
1 1 1 12  0  11 o 6.825000 3.878000  0.000000       0.000000  
1 1 1 12  0  12 o 13.56000 3.488000  0.000000       0.000000  
1 1 1 12  0  13 o 7.726000 4.114000  0.000000       0.000000  
1 1 1 12  0  14 o 3.073000 2.244000  0.000000       0.000000  
1 1 1 12  0  15 o 4.788000 3.209000  0.000000       0.000000  
1 1 1 12  0  16 o 3.713000 2.626000  0.000000       0.000000  
1 1 1 12  0  18 o 5.786000 3.595000  0.000000       0.000000  
1 1 1 12  1  0  o 55.58000 0.5713000 -1.293000      1.143000  
1 1 1 12  1  1  o 13.19000 1.771000  0.1604000      3.541000  
1 1 1 12  1  2  o 36.10000 0.7352000 -0.5526000     1.470000  
1 1 1 12  1  3  o 22.82000 1.181000  5.506000       2.361000  
1 1 1 12  1  4  f 22.19000 1.239000  3.952000       2.478000  
1 1 1 12  1  5  o 57.06000 0.6666000 -1.424000      1.333000  
1 1 1 12  1  6  o 41.49000 0.7749000 1.964000       1.550000  
1 1 1 12  1  7  o 17.95000 1.720000  0.5416000      3.440000  
1 1 1 12  1  8  o 34.01000 0.9346000 -0.7319000E-01 1.869000  
1 1 1 12  1  9  o 75.19000 0.6966000 -0.2998000E-01 1.393000  
1 1 1 12  1  10 o 39.52000 0.8370000 -1.257000      1.674000  
1 1 1 12  1  11 o 19.62000 1.507000  2.915000       3.013000  
1 1 1 12  1  12 o 32.51000 0.9614000 -0.9082000     1.923000  
1 1 1 12  1  13 o 21.60000 1.367000  2.819000       2.733000  
1 1 1 12  1  14 o 37.36000 0.8600000 0.9852000      1.720000  
1 1 1 12  1  15 o 38.09000 0.8418000 -0.3287000     1.684000  
1 1 1 12  1  16 o 35.28000 0.9102000 4.030000       1.820000  
1 1 1 12  1  17 o 26.40000 1.187000  0.4687000      2.375000  
1 1 1 12  1  18 o 22.93000 1.755000  1.353000       3.510000  
1 1 1 12  2  0  o 82.17000 0.6555000 -0.2478000     1.311000  
1 1 1 12  2  1  o 81.61000 0.6655000 2.065000       1.331000  
1 1 1 12  2  2  o 99.52000 0.7584000 -0.2573000     1.517000  
1 1 1 12  2  3  o 43.03000 0.6846000 0.1810000      1.369000  
1 1 1 12  2  4  o 15.26000 1.841000  -2.814000      3.682000  
1 1 1 12  2  5  o 55.60000 0.6722000 1.815000       1.344000  
1 1 1 12  2  6  o 35.69000 0.8617000 -0.4811000E-01 1.723000  
1 1 1 12  2  7  o 27.42000 1.110000  -0.7972000     2.220000  
1 1 1 12  2  8  o 24.45000 1.266000  -0.1650000     2.532000  
1 1 1 12  2  9  o 49.91000 0.7433000 -0.2133000     1.487000  
1 1 1 12  2  10 o 24.91000 1.222000  1.645000       2.444000  
1 1 1 12  2  11 o 26.21000 1.202000  2.242000       2.404000  
1 1 1 12  2  12 o 21.81000 1.791000  -4.662000      3.582000  
1 1 1 12  2  13 o 17.34000 1.802000  1.096000       3.604000  
1 1 1 12  2  14 o 7.872000 2.275000  -0.9024000     4.551000  
1 1 1 12  2  15 o 6.488000 2.066000  1.322000       4.131000  
1 1 1 12  2  16 o 14.23000 2.104000  -0.4391000     4.207000  
1 1 1 12  2  17 o 14.03000 2.094000  -8.915000      4.188000  
1 1 1 12  2  18 o 12.82000 2.734000  -4.849000      5.468000  
1 1 1 12  3  0  o 31.59000 0.7367000 0.1663000      1.473000  
1 1 1 12  3  1  o 27.47000 0.8568000 -0.5834000     1.714000  
1 1 1 12  3  2  o 76.84000 0.6476000 1.939000       1.295000  
1 1 1 12  3  3  o 12.08000 2.032000  -4.502000      4.065000  
1 1 1 12  3  4  o 5.944000 1.924000  1.963000       3.847000  
1 1 1 12  3  5  o 32.08000 0.9117000 -0.5492000     1.823000  
1 1 1 12  3  6  o 30.83000 1.263000  -1.397000      2.527000  
1 1 1 12  3  7  o 37.09000 1.078000  -2.426000      2.157000  
1 1 1 12  3  8  o 25.96000 1.197000  -1.218000      2.394000  
1 1 1 12  3  9  o 90.48000 0.7528000 -0.3530000     1.506000  
1 1 1 12  3  10 o 35.17000 0.9157000 0.4871000      1.831000  
1 1 1 12  3  11 o 16.23000 1.898000  -4.205000      3.796000  
1 1 1 12  3  12 o 26.07000 1.147000  -0.4570000     2.294000  
1 1 1 12  3  13 o 16.46000 1.854000  -5.143000      3.708000  
1 1 1 12  3  14 o 22.29000 1.357000  -2.479000      2.715000  
1 1 1 12  3  15 o 39.13000 0.8130000 2.456000       1.626000  
1 1 1 12  3  16 o 19.67000 1.580000  -2.682000      3.160000  
1 1 1 12  3  17 o 22.68000 1.574000  2.442000       3.147000  
1 1 1 12  3  18 o 25.17000 1.771000  2.459000       3.541000  
1 1 1 12  3  19 o 7.338000 3.363000  ?              ?         
1 1 1 12  4  0  o 92.07000 0.8850000 -0.7769000E-01 1.770000  
1 1 1 12  4  1  o 20.95000 1.545000  -3.855000      3.089000  
1 1 1 12  4  2  o 43.74000 0.6498000 0.6250000      1.300000  
1 1 1 12  4  3  o 76.54000 0.6577000 -0.3808000     1.315000  
1 1 1 12  4  4  o 27.55000 0.9767000 -1.380000      1.953000  
1 1 1 12  4  5  o 6.196000 1.991000  -0.5648000     3.982000  
1 1 1 12  4  6  o 41.93000 0.7810000 1.003000       1.562000  
1 1 1 12  4  7  o 29.71000 1.044000  1.423000       2.088000  
1 1 1 12  4  8  o 40.72000 0.8260000 0.1760000      1.652000  
1 1 1 12  4  9  o 49.01000 0.7273000 -1.270000      1.455000  
1 1 1 12  4  10 o 51.87000 0.7079000 2.314000       1.416000  
1 1 1 12  4  11 o 22.36000 1.331000  2.461000       2.662000  
1 1 1 12  4  12 o 5.614000 1.892000  -0.9610000     3.783000  
1 1 1 12  4  13 o 9.586000 2.254000  -4.821000      4.508000  
1 1 1 12  4  14 o 16.36000 1.870000  -0.4192000     3.740000  
1 1 1 12  4  15 o 6.672000 2.104000  -1.249000      4.209000  
1 1 1 12  4  16 o 7.663000 2.290000  0.3607000E-01  4.579000  
1 1 1 12  4  17 o 6.419000 2.187000  0.2833000      4.374000  
1 1 1 12  4  18 o 7.498000 2.414000  1.348000       4.828000  
1 1 1 12  4  19 o 14.57000 2.765000  3.784000       5.530000  
1 1 1 12  5  0  o 27.28000 0.8490000 -3.743000      1.698000  
1 1 1 12  5  1  o 12.09000 2.445000  2.413000       4.890000  
1 1 1 12  5  2  o 31.15000 0.8245000 0.7972000      1.649000  
1 1 1 12  5  3  o 10.24000 2.062000  6.994000       4.124000  
1 1 1 12  5  4  o 14.17000 1.904000  1.141000       3.807000  
1 1 1 12  5  5  o 10.99000 2.238000  3.853000       4.476000  
1 1 1 12  5  6  o 53.60000 0.6887000 1.514000       1.377000  
1 1 1 12  5  7  o 38.00000 0.8559000 1.558000       1.712000  
1 1 1 12  5  8  o 44.54000 0.7759000 -1.266000      1.552000  
1 1 1 12  5  9  o 33.01000 0.9582000 0.4298000      1.916000  
1 1 1 12  5  10 o 29.79000 0.9874000 0.5545000      1.975000  
1 1 1 12  5  11 o 77.31000 0.6973000 0.9538000      1.395000  
1 1 1 12  5  12 o 9.851000 2.393000  -2.220000      4.787000  
1 1 1 12  5  13 o 45.99000 0.7303000 -0.8181000     1.461000  
1 1 1 12  5  14 o 14.02000 2.170000  1.835000       4.341000  
1 1 1 12  5  15 o 10.85000 2.337000  5.168000       4.675000  
1 1 1 12  5  16 o 18.09000 2.362000  -0.5328000     4.724000  
1 1 1 12  5  17 o 24.19000 1.850000  -2.667000      3.700000  
1 1 1 12  5  18 o 8.609000 2.485000  3.649000       4.969000  
1 1 1 12  5  19 o 7.578000 2.446000  0.9292000E-01  4.892000  
1 1 1 12  6  0  o 25.36000 0.9318000 3.873000       1.864000  
1 1 1 12  6  1  o 67.97000 0.6170000 -0.8581000     1.234000  
1 1 1 12  6  2  o 42.75000 0.6645000 0.8913000      1.329000  
1 1 1 12  6  3  o 34.47000 0.7907000 -0.2168000     1.581000  
1 1 1 12  6  4  o 57.96000 0.6516000 0.8441000      1.303000  
1 1 1 12  6  5  o 50.50000 0.6861000 -2.610000      1.372000  
1 1 1 12  6  6  o 63.05000 0.6661000 0.2727000E-01  1.332000  
1 1 1 12  6  7  o 31.12000 1.003000  -1.533000      2.006000  
1 1 1 12  6  8  o 13.29000 2.152000  -6.717000      4.304000  
1 1 1 12  6  9  o 8.106000 2.223000  3.896000       4.446000  
1 1 1 12  6  10 o 11.44000 2.355000  -0.4095000     4.710000  
1 1 1 12  6  11 o 9.837000 2.395000  1.235000       4.789000  
1 1 1 12  6  12 o 7.926000 2.164000  -4.677000      4.327000  
1 1 1 12  6  13 o 8.188000 2.297000  -1.618000      4.593000  
1 1 1 12  6  14 o 8.753000 2.309000  -2.478000      4.618000  
1 1 1 12  6  15 o 8.253000 2.572000  -0.6747000     5.143000  
1 1 1 12  6  16 o 11.37000 2.913000  -1.041000      5.827000  
1 1 1 12  6  17 o 7.679000 2.481000  1.827000       4.963000  
1 1 1 12  6  18 o 12.25000 2.778000  -3.553000      5.557000  
1 1 1 12  6  19 o 7.648000 2.486000  1.303000       4.973000  
1 1 1 12  7  0  o 8.578000 2.099000  -1.874000      4.198000  
1 1 1 12  7  1  o 54.53000 0.6004000 1.073000       1.201000  
1 1 1 12  7  2  o 39.11000 0.7008000 -1.195000      1.402000  
1 1 1 12  7  3  o 8.643000 2.092000  -3.771000      4.184000  
1 1 1 12  7  4  o 26.15000 1.039000  -2.584000      2.078000  
1 1 1 12  7  5  o 18.56000 1.422000  2.012000       2.845000  
1 1 1 12  7  6  o 26.89000 1.007000  3.578000       2.014000  
1 1 1 12  7  7  o 31.80000 0.9498000 1.373000       1.900000  
1 1 1 12  7  8  o 27.74000 1.073000  -4.494000      2.145000  
1 1 1 12  7  9  o 32.03000 0.9504000 -2.113000      1.901000  
1 1 1 12  7  10 o 25.70000 1.198000  -2.250000      2.395000  
1 1 1 12  7  11 o 22.56000 1.373000  -2.524000      2.745000  
1 1 1 12  7  12 o 21.68000 1.428000  0.3673000      2.857000  
1 1 1 12  7  13 o 17.72000 1.641000  1.427000       3.281000  
1 1 1 12  7  14 o 36.17000 1.170000  -1.857000      2.341000  
1 1 1 12  7  15 o 22.41000 1.930000  -1.519000      3.860000  
1 1 1 12  7  16 o 10.10000 2.743000  -2.606000      5.487000  
1 1 1 12  7  17 o 7.941000 2.529000  -1.446000      5.059000  
1 1 1 12  7  18 o 14.06000 2.732000  3.467000       5.465000  
1 1 1 12  7  19 o 10.09000 2.808000  3.460000       5.616000  
1 1 1 12  8  0  o 6.866000 1.973000  2.870000       3.946000  
1 1 1 12  8  1  o 39.61000 0.6725000 0.8382000      1.345000  
1 1 1 12  8  2  o 13.13000 1.895000  -2.105000      3.789000  
1 1 1 12  8  3  o 9.844000 2.006000  -5.123000      4.012000  
1 1 1 12  8  4  o 21.73000 1.195000  -0.5015000     2.391000  
1 1 1 12  8  5  o 8.384000 2.200000  -0.5742000     4.400000  
1 1 1 12  8  6  o 20.78000 1.261000  1.785000       2.522000  
1 1 1 12  8  7  o 20.87000 1.352000  -4.470000      2.704000  
1 1 1 12  8  8  o 42.26000 0.7740000 -0.4955000     1.548000  
1 1 1 12  8  9  o 21.12000 1.472000  0.6766000      2.943000  
1 1 1 12  8  10 o 20.10000 1.470000  1.452000       2.940000  
1 1 1 12  8  11 f 18.24000 1.620000  -1.307000      3.240000  
1 1 1 12  8  12 o 15.10000 1.930000  1.122000       3.859000  
1 1 1 12  8  13 o 8.446000 2.685000  -0.4524000     5.369000  
1 1 1 12  8  14 o 7.958000 2.552000  -1.780000      5.104000  
1 1 1 12  8  15 o 7.163000 2.365000  1.140000       4.730000  
1 1 1 12  8  16 o 6.721000 2.273000  -1.365000      4.546000  
1 1 1 12  8  17 o 6.319000 2.152000  1.227000       4.303000  
1 1 1 12  8  18 o 6.107000 2.115000  -0.5500000     4.231000  
1 1 1 12  8  19 o 7.198000 2.418000  -0.5054000     4.836000  
1 1 1 12  9  0  o 35.32000 0.6990000 -1.596000      1.398000  
1 1 1 12  9  1  o 25.28000 0.9473000 -0.7432000     1.895000  
1 1 1 12  9  2  o 13.01000 1.806000  -0.2950000     3.612000  
1 1 1 12  9  3  o 8.590000 2.086000  -2.358000      4.173000  
1 1 1 12  9  4  o 20.63000 1.265000  -1.564000      2.530000  
1 1 1 12  9  5  o 27.63000 0.9598000 -0.2286000     1.920000  
1 1 1 12  9  6  o 25.00000 1.141000  -2.392000      2.281000  
1 1 1 12  9  7  o 14.98000 1.840000  -0.3641000     3.681000  
1 1 1 12  9  8  o 27.31000 1.043000  1.082000       2.087000  
1 1 1 12  9  9  o 36.50000 1.030000  -1.312000      2.059000  
1 1 1 12  9  10 o 43.18000 0.7709000 -0.1962000     1.542000  
1 1 1 12  9  11 o 35.39000 0.8904000 -1.972000      1.781000  
1 1 1 12  9  12 o 18.40000 2.642000  0.5505000      5.284000  
1 1 1 12  9  13 o 14.14000 2.734000  6.272000       5.469000  
1 1 1 12  9  14 f 15.59000 2.736000  -7.137000      5.473000  
1 1 1 12  9  15 o 9.913000 2.838000  1.332000       5.676000  
1 1 1 12  9  16 o 6.777000 2.274000  -0.8209000E-01 4.548000  
1 1 1 12  9  17 o 7.672000 2.449000  -2.132000      4.897000  
1 1 1 12  9  18 o 8.379000 2.604000  0.5742000      5.208000  
1 1 1 12  10 0  o 25.81000 0.8900000 2.585000       1.780000  
1 1 1 12  10 1  o 37.04000 0.7036000 0.8325000      1.407000  
1 1 1 12  10 2  o 29.70000 0.8259000 0.4154000      1.652000  
1 1 1 12  10 3  o 30.14000 0.8723000 -3.755000      1.745000  
1 1 1 12  10 4  o 16.63000 1.533000  1.224000       3.066000  
1 1 1 12  10 5  o 39.25000 0.7607000 -2.636000      1.521000  
1 1 1 12  10 6  o 8.874000 2.237000  -1.646000      4.474000  
1 1 1 12  10 7  o 7.977000 2.064000  7.009000       4.128000  
1 1 1 12  10 8  o 7.957000 2.212000  2.472000       4.425000  
1 1 1 12  10 9  o 6.568000 2.070000  1.149000       4.140000  
1 1 1 12  10 10 o 12.05000 2.674000  2.320000       5.347000  
1 1 1 12  10 11 o 7.026000 2.352000  1.777000       4.704000  
1 1 1 12  10 12 o 13.50000 3.015000  2.938000       6.029000  
1 1 1 12  10 13 o 7.814000 2.520000  -2.063000      5.040000  
1 1 1 12  10 14 o 6.692000 2.265000  -0.7218000     4.530000  
1 1 1 12  10 16 o 7.006000 2.341000  -0.1864000     4.681000  
1 1 1 12  10 17 f 9.802000 2.746000  3.814000       5.492000  
1 1 1 12  11 0  o 23.82000 1.129000  -3.410000      2.258000  
1 1 1 12  11 1  o 14.05000 1.731000  -3.397000      3.462000  
1 1 1 12  11 2  o 6.828000 2.013000  2.166000       4.026000  
1 1 1 12  11 3  o 18.19000 1.352000  0.5223000      2.704000  
1 1 1 12  11 4  o 6.850000 2.058000  1.739000       4.116000  
1 1 1 12  11 5  o 21.36000 1.237000  -1.716000      2.474000  
1 1 1 12  11 6  o 12.47000 2.139000  0.9162000      4.278000  
1 1 1 12  11 7  o 7.843000 2.214000  2.816000       4.429000  
1 1 1 12  11 8  o 9.234000 2.471000  5.844000       4.942000  
1 1 1 12  11 9  o 24.14000 1.875000  -2.438000      3.749000  
1 1 1 12  11 10 o 33.70000 1.403000  -0.4769000     2.807000  
1 1 1 12  11 11 o 9.223000 2.766000  -1.056000      5.531000  
1 1 1 12  11 12 o 7.952000 2.529000  1.788000       5.058000  
1 1 1 12  11 13 o 8.093000 2.553000  0.8295000      5.107000  
1 1 1 12  11 14 o 6.395000 2.203000  -1.363000      4.406000  
1 1 1 12  11 15 o 18.03000 2.591000  -3.721000      5.182000  
1 1 1 12  11 16 o 12.83000 2.982000  3.001000       5.963000  
1 1 1 12  12 0  o 25.55000 1.072000  -0.6361000E-01 2.143000  
1 1 1 12  12 1  o 16.09000 1.636000  -5.391000      3.272000  
1 1 1 12  12 2  o 12.27000 2.064000  -4.909000      4.129000  
1 1 1 12  12 3  o 14.44000 1.675000  -2.099000      3.349000  
1 1 1 12  12 4  o 10.50000 2.033000  -4.334000      4.066000  
1 1 1 12  12 5  o 8.895000 2.241000  -0.1116000     4.482000  
1 1 1 12  12 6  o 8.971000 2.394000  -0.7329000     4.788000  
1 1 1 12  12 7  o 7.356000 2.393000  1.007000       4.785000  
1 1 1 12  12 8  o 12.25000 2.861000  -4.233000      5.722000  
1 1 1 12  12 9  o 12.63000 2.698000  -8.407000      5.397000  
1 1 1 12  12 10 o 15.05000 2.762000  -5.529000      5.524000  
1 1 1 12  12 11 o 8.031000 2.554000  -0.4203000     5.109000  
1 1 1 12  12 12 o 6.931000 2.321000  0.9840000E-01  4.641000  
1 1 1 12  12 13 o 5.537000 1.962000  -1.253000      3.924000  
1 1 1 12  12 14 o 6.584000 2.250000  -0.4438000     4.500000  
1 1 1 12  12 15 o 10.08000 2.859000  -4.212000      5.719000  
1 1 1 12  13 0  o 6.076000 1.944000  -3.565000      3.888000  
1 1 1 12  13 1  o 8.535000 2.284000  -3.088000      4.567000  
1 1 1 12  13 2  o 8.351000 2.257000  -5.337000      4.515000  
1 1 1 12  13 3  o 6.776000 2.834000  ?              ?         
1 1 1 12  13 4  o 10.52000 2.936000  ?              ?         
1 1 1 12  13 5  o 14.08000 2.460000  ?              ?         
1 1 1 12  13 6  o 6.689000 2.889000  ?              ?         
1 1 1 12  13 7  o 7.176000 2.349000  -2.169000      4.699000  
1 1 1 12  13 8  o 13.67000 2.792000  -3.060000      5.583000  
1 1 1 12  13 9  o 12.21000 2.883000  2.747000       5.765000  
1 1 1 12  13 10 o 8.690000 2.577000  4.088000       5.154000  
1 1 1 12  13 11 o 10.46000 2.576000  6.371000       5.153000  
1 1 1 12  13 12 o 11.27000 2.979000  -2.221000      5.957000  
1 1 1 12  13 13 o 6.938000 2.303000  2.384000       4.605000  
1 1 1 12  13 14 o 5.400000 1.907000  0.4599000      3.814000  
1 1 1 12  14 1  o 22.94000 1.265000  ?              ?         
1 1 1 12  14 2  o 14.08000 3.485000  ?              ?         
1 1 1 12  14 3  o 10.05000 2.933000  ?              ?         
1 1 1 12  14 4  o 13.00000 2.456000  ?              ?         
1 1 1 12  14 5  o 15.23000 2.227000  ?              ?         
1 1 1 12  14 6  o 10.79000 3.236000  ?              ?         
1 1 1 12  14 7  o 5.967000 2.767000  ?              ?         
1 1 1 12  14 8  o 6.723000 2.952000  ?              ?         
1 1 1 12  14 9  o 7.153000 3.058000  ?              ?         
1 1 1 12  14 10 o 7.479000 2.397000  2.356000       4.794000  
1 1 1 12  14 11 f 6.161000 2.145000  -0.8470000     4.290000  
1 1 1 12  14 12 o 7.309000 2.426000  -3.164000      4.852000  
1 1 1 12  15 9  o 7.857000 3.231000  ?              ?         
1 1 1 12  15 10 o 10.34000 3.482000  ?              ?         
1 1 1 13  0  0  o 27.47000 1.233000  0.000000       0.000000  
1 1 1 13  0  1  o 46.91000 0.9085000 0.000000       0.000000  
1 1 1 13  0  2  o 25.35000 1.498000  0.000000       0.000000  
1 1 1 13  0  3  o 70.98000 0.9525000 0.000000       0.000000  
1 1 1 13  0  4  o 60.88000 0.9590000 0.000000       0.000000  
1 1 1 13  0  5  o 25.51000 1.698000  0.000000       0.000000  
1 1 1 13  0  6  o 70.74000 0.9722000 0.000000       0.000000  
1 1 1 13  0  7  o 25.17000 1.633000  0.000000       0.000000  
1 1 1 13  0  8  o 10.91000 4.122000  0.000000       0.000000  
1 1 1 13  0  9  o 32.20000 1.317000  0.000000       0.000000  
1 1 1 13  0  10 o 29.33000 1.465000  0.000000       0.000000  
1 1 1 13  0  11 o 44.65000 1.109000  0.000000       0.000000  
1 1 1 13  0  12 o 27.78000 1.496000  0.000000       0.000000  
1 1 1 13  0  13 o 23.48000 1.902000  0.000000       0.000000  
1 1 1 13  0  14 o 12.43000 4.027000  0.000000       0.000000  
1 1 1 13  0  15 o 8.338000 4.145000  0.000000       0.000000  
1 1 1 13  0  16 o 4.579000 3.078000  0.000000       0.000000  
1 1 1 13  0  17 o 15.90000 3.018000  0.000000       0.000000  
1 1 1 13  1  0  o 41.78000 0.6510000 -0.3364000E-01 1.302000  
1 1 1 13  1  1  o 25.69000 0.9596000 1.097000       1.919000  
1 1 1 13  1  2  o 15.71000 1.706000  -1.476000      3.412000  
1 1 1 13  1  3  o 40.62000 0.7619000 -0.7496000     1.524000  
1 1 1 13  1  4  o 19.21000 1.524000  2.417000       3.047000  
1 1 1 13  1  5  o 7.664000 2.166000  -3.428000      4.332000  
1 1 1 13  1  6  o 9.450000 2.562000  4.785000       5.125000  
1 1 1 13  1  7  o 5.969000 1.928000  3.105000       3.856000  
1 1 1 13  1  8  o 24.67000 1.254000  -3.527000      2.507000  
1 1 1 13  1  9  o 33.22000 0.9632000 -2.667000      1.926000  
1 1 1 13  1  10 o 52.81000 0.7118000 -0.8123000     1.424000  
1 1 1 13  1  11 o 45.94000 0.7512000 0.4966000      1.502000  
1 1 1 13  1  12 o 40.08000 0.8317000 -1.746000      1.663000  
1 1 1 13  1  13 o 20.52000 1.517000  -5.092000      3.035000  
1 1 1 13  1  14 o 41.27000 0.7948000 -0.4637000     1.590000  
1 1 1 13  1  15 o 23.17000 1.301000  -0.6694000     2.601000  
1 1 1 13  1  16 o 30.14000 1.026000  0.3349000      2.053000  
1 1 1 13  1  17 o 14.12000 2.734000  3.127000       5.469000  
1 1 1 13  2  0  o 101.8000 0.7733000 1.060000       1.547000  
1 1 1 13  2  1  o 44.82000 0.6541000 0.4271000      1.308000  
1 1 1 13  2  2  o 137.2000 0.9999000 -2.185000      2.000000  
1 1 1 13  2  3  o 23.18000 1.185000  -1.196000      2.370000  
1 1 1 13  2  4  o 30.63000 0.9522000 1.607000       1.904000  
1 1 1 13  2  5  o 38.46000 0.8220000 -0.2550000     1.644000  
1 1 1 13  2  6  o 37.81000 0.8197000 -0.1520000E-01 1.639000  
1 1 1 13  2  7  o 50.27000 0.7189000 -1.347000      1.438000  
1 1 1 13  2  8  o 20.49000 1.474000  -0.4407000     2.948000  
1 1 1 13  2  9  o 27.99000 1.057000  -2.932000      2.114000  
1 1 1 13  2  10 o 53.02000 0.6967000 0.4925000      1.393000  
1 1 1 13  2  11 o 6.751000 2.096000  2.161000       4.193000  
1 1 1 13  2  12 o 13.89000 2.171000  -0.4912000     4.342000  
1 1 1 13  2  13 o 22.35000 1.436000  -4.517000      2.871000  
1 1 1 13  2  14 o 5.304000 1.786000  0.7482000      3.572000  
1 1 1 13  2  15 o 5.677000 1.887000  -1.046000      3.775000  
1 1 1 13  2  16 o 7.286000 2.175000  3.794000       4.350000  
1 1 1 13  2  17 o 7.735000 2.471000  -0.7343000     4.943000  
1 1 1 13  2  18 o 19.59000 3.224000  ?              ?         
1 1 1 13  3  0  o 47.33000 0.6085000 -1.194000      1.217000  
1 1 1 13  3  1  o 38.81000 0.7368000 -0.5460000     1.474000  
1 1 1 13  3  2  o 26.65000 1.032000  -2.609000      2.065000  
1 1 1 13  3  3  o 29.60000 0.9243000 0.1136000      1.849000  
1 1 1 13  3  4  o 7.681000 2.057000  5.119000       4.113000  
1 1 1 13  3  5  f 32.87000 0.8944000 0.6189000      1.789000  
1 1 1 13  3  6  o 14.43000 2.070000  -1.895000      4.141000  
1 1 1 13  3  7  o 47.29000 0.7271000 -0.3873000     1.454000  
1 1 1 13  3  8  o 14.17000 2.065000  5.350000       4.129000  
1 1 1 13  3  9  o 24.82000 1.195000  1.688000       2.391000  
1 1 1 13  3  10 o 30.33000 0.9940000 -1.829000      1.988000  
1 1 1 13  3  11 o 12.65000 2.207000  4.277000       4.415000  
1 1 1 13  3  12 o 26.24000 1.121000  0.9866000      2.241000  
1 1 1 13  3  13 o 11.87000 2.635000  -1.607000      5.270000  
1 1 1 13  3  14 o 19.43000 1.811000  -3.118000      3.621000  
1 1 1 13  3  15 o 6.753000 2.131000  -0.5648000     4.262000  
1 1 1 13  3  16 o 13.51000 2.706000  2.953000       5.412000  
1 1 1 13  3  17 o 16.44000 2.605000  -2.979000      5.209000  
1 1 1 13  3  18 o 6.399000 2.199000  -1.183000      4.398000  
1 1 1 13  4  0  o 42.83000 0.6532000 0.2128000      1.306000  
1 1 1 13  4  1  o 105.9000 0.8028000 0.7340000      1.606000  
1 1 1 13  4  2  o 80.09000 0.6757000 -0.4707000     1.351000  
1 1 1 13  4  3  o 7.354000 2.134000  1.707000       4.267000  
1 1 1 13  4  4  o 42.22000 0.6945000 -0.4816000     1.389000  
1 1 1 13  4  5  o 31.59000 0.9383000 0.4522000E-01  1.877000  
1 1 1 13  4  6  o 17.97000 1.559000  2.836000       3.119000  
1 1 1 13  4  7  o 60.53000 0.6945000 -1.076000      1.389000  
1 1 1 13  4  8  o 23.77000 1.634000  4.158000       3.267000  
1 1 1 13  4  9  f 30.40000 0.9494000 -0.8746000E-01 1.899000  
1 1 1 13  4  10 f 10.66000 2.250000  3.795000       4.499000  
1 1 1 13  4  11 o 28.40000 1.036000  0.1326000      2.073000  
1 1 1 13  4  12 o 10.58000 2.345000  1.790000       4.690000  
1 1 1 13  4  13 o 18.00000 1.689000  4.951000       3.378000  
1 1 1 13  4  14 o 14.84000 2.120000  -4.760000      4.239000  
1 1 1 13  4  15 o 7.585000 2.255000  -3.282000      4.511000  
1 1 1 13  4  16 o 6.438000 2.187000  -0.2241000E-01 4.374000  
1 1 1 13  4  17 o 10.37000 2.786000  -2.795000      5.572000  
1 1 1 13  4  18 o 7.265000 2.348000  2.904000       4.695000  
1 1 1 13  5  0  o 56.75000 0.6036000 -0.6291000E-01 1.207000  
1 1 1 13  5  1  o 45.65000 0.6572000 0.6851000      1.314000  
1 1 1 13  5  2  o 21.50000 1.413000  2.391000       2.825000  
1 1 1 13  5  3  o 9.649000 2.199000  3.305000       4.399000  
1 1 1 13  5  4  o 18.43000 1.438000  -0.5288000     2.876000  
1 1 1 13  5  5  o 8.320000 2.135000  5.369000       4.270000  
1 1 1 13  5  6  o 10.28000 2.239000  -2.867000      4.478000  
1 1 1 13  5  7  o 54.97000 0.6717000 -0.7494000E-01 1.343000  
1 1 1 13  5  8  f 11.48000 2.269000  -0.4896000     4.538000  
1 1 1 13  5  9  o 40.36000 0.7611000 0.3832000      1.522000  
1 1 1 13  5  10 o 9.881000 2.259000  -3.496000      4.518000  
1 1 1 13  5  11 o 19.43000 1.497000  3.907000       2.994000  
1 1 1 13  5  12 o 6.637000 2.086000  -0.8050000E-01 4.173000  
1 1 1 13  5  13 o 19.58000 1.555000  -1.940000      3.109000  
1 1 1 13  5  14 o 17.02000 2.353000  -7.785000      4.707000  
1 1 1 13  5  15 o 20.27000 2.308000  4.817000       4.617000  
1 1 1 13  5  16 o 11.33000 2.917000  -1.770000      5.833000  
1 1 1 13  5  17 o 9.398000 2.728000  0.7070000      5.455000  
1 1 1 13  5  18 o 6.721000 2.246000  1.476000       4.493000  
1 1 1 13  6  0  f 73.85000 0.6367000 -0.7135000     1.273000  
1 1 1 13  6  1  o 87.93000 0.7023000 -0.3086000     1.405000  
1 1 1 13  6  2  f 45.99000 0.6432000 0.8625000      1.286000  
1 1 1 13  6  3  o 29.64000 0.8740000 0.5271000      1.748000  
1 1 1 13  6  4  o 29.87000 0.9024000 1.958000       1.805000  
1 1 1 13  6  5  o 37.72000 0.7574000 -1.616000      1.515000  
1 1 1 13  6  6  o 5.840000 1.915000  0.7881000      3.830000  
1 1 1 13  6  7  o 73.11000 0.6821000 -1.726000      1.364000  
1 1 1 13  6  8  o 65.98000 0.6692000 1.948000       1.338000  
1 1 1 13  6  9  o 21.27000 1.366000  -3.456000      2.732000  
1 1 1 13  6  10 o 14.18000 2.078000  -1.584000      4.156000  
1 1 1 13  6  11 o 30.37000 1.046000  -2.737000      2.091000  
1 1 1 13  6  12 o 6.954000 2.105000  -2.311000      4.210000  
1 1 1 13  6  13 o 9.440000 2.316000  -3.609000      4.631000  
1 1 1 13  6  14 o 9.039000 2.693000  -0.9107000     5.386000  
1 1 1 13  6  15 o 9.008000 2.690000  -1.797000      5.381000  
1 1 1 13  6  16 o 7.752000 2.496000  1.347000       4.992000  
1 1 1 13  6  17 o 4.995000 1.772000  0.3978000      3.544000  
1 1 1 13  6  18 o 8.144000 2.571000  -3.319000      5.142000  
1 1 1 13  7  0  o 28.81000 0.8502000 2.114000       1.700000  
1 1 1 13  7  1  o 24.82000 0.9377000 0.7573000E-01  1.875000  
1 1 1 13  7  2  o 18.07000 1.334000  -0.4703000     2.667000  
1 1 1 13  7  3  o 16.25000 1.576000  -0.1836000     3.152000  
1 1 1 13  7  4  o 14.35000 1.757000  1.992000       3.514000  
1 1 1 13  7  5  o 12.60000 1.997000  7.654000       3.995000  
1 1 1 13  7  6  o 7.535000 2.156000  -1.204000      4.312000  
1 1 1 13  7  7  o 24.42000 1.152000  2.206000       2.305000  
1 1 1 13  7  8  f 39.02000 0.8197000 -1.051000      1.639000  
1 1 1 13  7  9  o 16.77000 1.754000  0.4869000      3.507000  
1 1 1 13  7  10 o 10.83000 2.348000  1.065000       4.697000  
1 1 1 13  7  11 o 9.955000 2.373000  -2.200000      4.745000  
1 1 1 13  7  12 o 14.13000 2.532000  3.821000       5.065000  
1 1 1 13  7  13 o 7.532000 2.449000  -0.8046000     4.897000  
1 1 1 13  7  14 o 8.904000 2.690000  -1.766000      5.379000  
1 1 1 13  7  15 o 22.56000 1.734000  -0.9817000     3.468000  
1 1 1 13  7  16 o 15.01000 2.800000  5.224000       5.601000  
1 1 1 13  7  18 o 7.220000 2.412000  -0.6640000     4.823000  
1 1 1 13  8  0  o 46.70000 0.6236000 0.5583000      1.247000  
1 1 1 13  8  1  o 9.750000 2.051000  -2.255000      4.102000  
1 1 1 13  8  2  o 18.46000 1.313000  -1.624000      2.626000  
1 1 1 13  8  3  o 20.10000 1.208000  2.041000       2.416000  
1 1 1 13  8  4  o 7.429000 2.116000  3.293000       4.232000  
1 1 1 13  8  5  o 41.35000 0.7090000 0.7631000E-01  1.418000  
1 1 1 13  8  6  o 16.78000 1.852000  -9.106000      3.704000  
1 1 1 13  8  7  o 40.47000 0.7557000 -1.170000      1.511000  
1 1 1 13  8  8  o 31.47000 0.9233000 0.5467000      1.847000  
1 1 1 13  8  9  o 16.82000 1.750000  4.618000       3.500000  
1 1 1 13  8  10 o 6.503000 2.002000  -2.938000      4.004000  
1 1 1 13  8  11 o 10.92000 2.334000  -6.092000      4.667000  
1 1 1 13  8  12 o 8.240000 2.550000  -2.254000      5.101000  
1 1 1 13  8  13 o 11.00000 2.699000  6.795000       5.399000  
1 1 1 13  8  14 o 7.463000 2.433000  0.6520000      4.866000  
1 1 1 13  8  15 o 13.57000 2.892000  -2.800000      5.785000  
1 1 1 13  8  16 o 6.479000 2.213000  0.7250000      4.425000  
1 1 1 13  8  17 o 5.979000 2.060000  1.577000       4.121000  
1 1 1 13  8  18 o 7.260000 2.437000  -2.925000      4.874000  
1 1 1 13  9  0  o 21.38000 1.072000  -1.027000      2.145000  
1 1 1 13  9  1  o 8.212000 2.097000  -1.147000      4.194000  
1 1 1 13  9  2  o 26.44000 0.8992000 0.8886000      1.798000  
1 1 1 13  9  3  o 14.83000 1.632000  -3.318000      3.265000  
1 1 1 13  9  4  o 7.610000 2.142000  1.115000       4.284000  
1 1 1 13  9  5  o 8.646000 2.144000  -2.169000      4.288000  
1 1 1 13  9  6  o 9.575000 1.931000  -6.336000      3.862000  
1 1 1 13  9  7  o 24.76000 1.570000  2.240000       3.141000  
1 1 1 13  9  8  o 29.43000 0.9691000 0.2447000      1.938000  
1 1 1 13  9  9  o 20.91000 1.401000  1.924000       2.803000  
1 1 1 13  9  10 o 8.323000 2.633000  1.156000       5.265000  
1 1 1 13  9  11 o 6.927000 2.319000  0.6880000E-01  4.637000  
1 1 1 13  9  12 o 12.81000 2.831000  5.009000       5.663000  
1 1 1 13  9  13 f 11.56000 2.974000  -0.2161000     5.947000  
1 1 1 13  9  14 o 22.25000 2.056000  4.310000       4.111000  
1 1 1 13  9  15 o 8.449000 2.606000  -2.317000      5.211000  
1 1 1 13  9  16 o 7.730000 2.490000  2.253000       4.980000  
1 1 1 13  9  17 o 8.337000 2.612000  2.018000       5.224000  
1 1 1 13  10 0  o 42.46000 0.6294000 1.117000       1.259000  
1 1 1 13  10 1  o 29.57000 1.240000  2.538000       2.480000  
1 1 1 13  10 2  o 40.50000 0.7548000 -1.919000      1.510000  
1 1 1 13  10 3  o 14.38000 1.691000  0.1209000      3.383000  
1 1 1 13  10 4  o 32.32000 0.8476000 -1.841000      1.695000  
1 1 1 13  10 5  o 9.827000 2.232000  -0.1170000     4.465000  
1 1 1 13  10 6  o 8.440000 2.132000  -3.329000      4.264000  
1 1 1 13  10 7  o 11.64000 2.176000  -2.173000      4.351000  
1 1 1 13  10 8  o 12.57000 2.814000  4.959000       5.628000  
1 1 1 13  10 9  o 13.82000 2.767000  -6.315000      5.533000  
1 1 1 13  10 10 o 20.74000 2.217000  0.6601000      4.433000  
1 1 1 13  10 11 o 18.07000 2.454000  -0.8695000     4.907000  
1 1 1 13  10 12 o 13.38000 2.748000  -6.329000      5.496000  
1 1 1 13  10 13 o 7.396000 2.411000  -1.416000      4.822000  
1 1 1 13  10 14 o 7.785000 2.513000  0.3896000E-01  5.025000  
1 1 1 13  10 15 o 6.147000 2.134000  0.7018000      4.268000  
1 1 1 13  10 16 o 5.390000 1.919000  -0.1306000     3.839000  
1 1 1 13  11 0  o 6.131000 1.824000  2.819000       3.649000  
1 1 1 13  11 1  o 8.574000 2.098000  1.499000       4.196000  
1 1 1 13  11 2  o 10.84000 2.002000  -3.498000      4.005000  
1 1 1 13  11 3  o 10.40000 2.105000  3.007000       4.211000  
1 1 1 13  11 4  o 7.795000 2.069000  4.244000       4.139000  
1 1 1 13  11 5  o 7.497000 2.183000  -1.110000      4.366000  
1 1 1 13  11 6  o 7.536000 2.402000  -1.566000      4.803000  
1 1 1 13  11 7  f 8.437000 2.479000  -4.685000      4.957000  
1 1 1 13  11 8  o 12.22000 2.894000  -0.8047000     5.788000  
1 1 1 13  11 9  o 9.113000 2.685000  2.254000       5.370000  
1 1 1 13  11 10 o 6.812000 2.296000  0.1108000      4.592000  
1 1 1 13  11 11 o 17.13000 2.634000  1.069000       5.268000  
1 1 1 13  11 12 o 5.310000 1.881000  0.9489000      3.762000  
1 1 1 13  11 13 o 9.225000 2.687000  -5.916000      5.374000  
1 1 1 13  11 14 o 8.564000 2.682000  0.4815000      5.363000  
1 1 1 13  11 15 o 9.321000 2.753000  3.441000       5.507000  
1 1 1 13  12 0  o 15.92000 1.643000  -3.786000      3.287000  
1 1 1 13  12 1  o 8.193000 2.115000  2.467000       4.230000  
1 1 1 13  12 2  o 12.10000 2.375000  -5.183000      4.751000  
1 1 1 13  12 3  o 13.86000 2.452000  -0.5239000     4.903000  
1 1 1 13  12 4  o 28.93000 1.332000  3.835000       2.663000  
1 1 1 13  12 5  o 12.85000 2.672000  -2.842000      5.343000  
1 1 1 13  12 6  o 7.241000 2.354000  -0.8622000     4.709000  
1 1 1 13  12 7  o 13.25000 2.843000  1.034000       5.686000  
1 1 1 13  12 8  o 9.447000 2.575000  5.391000       5.149000  
1 1 1 13  12 9  o 6.886000 2.295000  -0.5875000E-01 4.590000  
1 1 1 13  12 10 o 8.940000 2.694000  1.390000       5.387000  
1 1 1 13  12 11 o 14.08000 2.794000  5.255000       5.589000  
1 1 1 13  12 12 o 10.76000 2.754000  4.046000       5.509000  
1 1 1 13  12 13 o 6.424000 2.231000  -2.563000      4.463000  
1 1 1 13  13 2  o 5.491000 2.660000  ?              ?         
1 1 1 13  13 3  o 5.379000 2.508000  ?              ?         
1 1 1 13  13 4  o 4.151000 2.040000  ?              ?         
1 1 1 13  13 5  o 6.043000 2.013000  -2.545000      4.026000  
1 1 1 13  13 6  o 8.753000 2.511000  3.301000       5.021000  
1 1 1 13  13 7  o 6.970000 2.315000  0.3359000      4.630000  
1 1 1 13  13 8  o 6.280000 2.142000  0.2744000      4.284000  
1 1 1 13  13 9  o 7.437000 2.423000  -0.9694000     4.846000  
1 1 1 13  13 10 o 11.50000 2.603000  7.182000       5.206000  
1 1 1 13  13 11 o 7.725000 2.530000  -1.564000      5.060000  
1 1 1 13  13 12 o 5.658000 1.988000  0.1164000      3.976000  
1 1 1 13  14 10 o 5.487000 1.936000  1.091000       3.871000  
1 1 1 14  0  0  o 4.827000 3.085000  0.000000       0.000000  
1 1 1 14  0  1  o 48.47000 0.9018000 0.000000       0.000000  
1 1 1 14  0  2  f 43.89000 0.9747000 0.000000       0.000000  
1 1 1 14  0  3  o 67.84000 0.9187000 0.000000       0.000000  
1 1 1 14  0  4  o 23.34000 1.756000  0.000000       0.000000  
1 1 1 14  0  5  o 110.6000 1.193000  0.000000       0.000000  
1 1 1 14  0  6  o 44.02000 1.070000  0.000000       0.000000  
1 1 1 14  0  7  o 38.49000 1.106000  0.000000       0.000000  
1 1 1 14  0  8  o 46.31000 0.9735000 0.000000       0.000000  
1 1 1 14  0  9  o 34.30000 1.220000  0.000000       0.000000  
1 1 1 14  0  10 o 31.43000 1.378000  0.000000       0.000000  
1 1 1 14  0  11 o 59.61000 0.9735000 0.000000       0.000000  
1 1 1 14  0  12 o 3.878000 2.731000  0.000000       0.000000  
1 1 1 14  0  13 f 22.65000 1.793000  0.000000       0.000000  
1 1 1 14  0  14 o 19.87000 2.292000  0.000000       0.000000  
1 1 1 14  0  15 o 20.92000 1.998000  0.000000       0.000000  
1 1 1 14  0  16 o 4.338000 3.097000  0.000000       0.000000  
1 1 1 14  1  0  o 77.78000 0.6610000 -1.590000      1.322000  
1 1 1 14  1  1  o 19.73000 1.236000  -1.460000      2.472000  
1 1 1 14  1  2  o 26.26000 0.9727000 -0.2683000     1.945000  
1 1 1 14  1  3  o 19.14000 1.423000  1.560000       2.846000  
1 1 1 14  1  4  o 5.612000 1.873000  1.058000       3.745000  
1 1 1 14  1  5  f 25.78000 1.153000  -1.457000      2.307000  
1 1 1 14  1  6  o 18.84000 1.527000  -4.203000      3.054000  
1 1 1 14  1  7  o 22.75000 1.254000  -4.717000      2.508000  
1 1 1 14  1  8  o 10.54000 2.357000  1.431000       4.714000  
1 1 1 14  1  9  o 28.42000 1.070000  3.949000       2.139000  
1 1 1 14  1  10 o 13.97000 2.102000  2.401000       4.205000  
1 1 1 14  1  11 o 22.51000 1.312000  0.8702000      2.625000  
1 1 1 14  1  12 o 10.65000 2.252000  -5.370000      4.504000  
1 1 1 14  1  13 o 10.19000 2.368000  -2.685000      4.737000  
1 1 1 14  1  14 o 9.156000 2.400000  -0.4456000     4.800000  
1 1 1 14  1  15 o 29.08000 1.063000  -3.641000      2.125000  
1 1 1 14  1  16 o 7.428000 2.396000  0.3145000      4.792000  
1 1 1 14  2  0  o 84.38000 0.6901000 -1.634000      1.380000  
1 1 1 14  2  1  o 65.01000 0.6307000 -1.659000      1.261000  
1 1 1 14  2  2  o 81.09000 0.6839000 -0.5171000     1.368000  
1 1 1 14  2  3  o 20.53000 1.267000  0.9693000      2.533000  
1 1 1 14  2  4  o 36.80000 0.8046000 -1.268000      1.609000  
1 1 1 14  2  5  o 53.39000 0.6812000 -1.309000      1.362000  
1 1 1 14  2  6  o 54.00000 0.6819000 1.135000       1.364000  
1 1 1 14  2  7  o 65.15000 0.6725000 -2.024000      1.345000  
1 1 1 14  2  8  o 57.05000 0.6829000 0.7311000      1.366000  
1 1 1 14  2  9  o 50.37000 0.7340000 0.2656000      1.468000  
1 1 1 14  2  10 o 19.15000 1.575000  1.356000       3.149000  
1 1 1 14  2  11 o 20.39000 1.473000  -2.368000      2.946000  
1 1 1 14  2  12 o 39.59000 0.8523000 0.3957000      1.705000  
1 1 1 14  2  13 f 51.76000 0.7042000 -1.513000      1.408000  
1 1 1 14  2  14 o 19.19000 1.552000  0.2244000      3.103000  
1 1 1 14  2  15 o 15.47000 2.341000  1.617000       4.681000  
1 1 1 14  2  16 o 9.040000 2.677000  -1.905000      5.354000  
1 1 1 14  2  17 o 10.53000 4.036000  ?              ?         
1 1 1 14  3  0  o 68.35000 0.6261000 -0.4538000     1.252000  
1 1 1 14  3  1  o 35.51000 0.7755000 1.900000       1.551000  
1 1 1 14  3  2  o 30.72000 0.8769000 -0.3822000     1.754000  
1 1 1 14  3  3  o 9.661000 2.100000  5.952000       4.200000  
1 1 1 14  3  4  o 8.909000 2.257000  2.586000       4.514000  
1 1 1 14  3  5  o 15.37000 1.825000  -0.1022000     3.650000  
1 1 1 14  3  6  o 21.80000 1.335000  -3.421000      2.671000  
1 1 1 14  3  7  o 9.375000 1.942000  8.565000       3.885000  
1 1 1 14  3  8  o 31.66000 0.9258000 0.3856000      1.852000  
1 1 1 14  3  9  o 9.581000 2.329000  -2.758000      4.658000  
1 1 1 14  3  10 o 15.85000 1.984000  -3.367000      3.968000  
1 1 1 14  3  11 o 10.32000 2.313000  -2.195000      4.627000  
1 1 1 14  3  12 o 18.78000 1.655000  -2.243000      3.310000  
1 1 1 14  3  13 o 19.95000 1.764000  -3.216000      3.528000  
1 1 1 14  3  14 o 19.33000 1.573000  0.5751000      3.147000  
1 1 1 14  3  15 o 8.683000 2.651000  1.211000       5.303000  
1 1 1 14  3  16 o 9.863000 2.793000  -1.180000      5.586000  
1 1 1 14  3  17 o 11.03000 2.731000  -6.817000      5.463000  
1 1 1 14  4  0  o 13.93000 1.725000  0.5277000      3.450000  
1 1 1 14  4  1  o 20.46000 1.259000  3.702000       2.518000  
1 1 1 14  4  2  o 18.60000 1.706000  -2.773000      3.411000  
1 1 1 14  4  3  o 35.44000 0.7829000 1.687000       1.566000  
1 1 1 14  4  4  o 97.13000 0.7652000 -1.538000      1.530000  
1 1 1 14  4  5  o 32.66000 0.8678000 -1.004000      1.736000  
1 1 1 14  4  6  o 7.410000 2.198000  -0.9424000     4.395000  
1 1 1 14  4  7  o 13.27000 2.124000  1.171000       4.248000  
1 1 1 14  4  8  o 18.56000 1.534000  3.061000       3.068000  
1 1 1 14  4  9  o 20.91000 1.413000  3.125000       2.826000  
1 1 1 14  4  10 o 7.472000 2.186000  -1.510000      4.371000  
1 1 1 14  4  11 o 21.04000 1.396000  -1.849000      2.791000  
1 1 1 14  4  12 o 33.16000 0.9612000 -1.797000      1.922000  
1 1 1 14  4  13 o 13.82000 2.230000  1.065000       4.461000  
1 1 1 14  4  14 o 35.19000 1.225000  -0.5398000     2.451000  
1 1 1 14  4  15 o 9.286000 2.663000  -3.612000      5.326000  
1 1 1 14  4  16 o 6.722000 2.269000  -1.846000      4.538000  
1 1 1 14  4  17 o 9.767000 2.785000  2.302000       5.570000  
1 1 1 14  5  0  o 17.28000 1.307000  0.2698000      2.615000  
1 1 1 14  5  1  o 23.60000 1.029000  0.6409000      2.057000  
1 1 1 14  5  2  o 10.55000 2.216000  2.517000       4.432000  
1 1 1 14  5  3  o 39.85000 0.6951000 -0.9551000     1.390000  
1 1 1 14  5  4  o 25.10000 1.053000  1.364000       2.105000  
1 1 1 14  5  5  o 24.34000 1.061000  -2.185000      2.122000  
1 1 1 14  5  6  o 7.939000 2.226000  0.5295000      4.453000  
1 1 1 14  5  7  f 26.85000 1.043000  1.867000       2.086000  
1 1 1 14  5  8  o 10.94000 2.000000  8.715000       4.000000  
1 1 1 14  5  9  o 18.25000 1.951000  2.788000       3.903000  
1 1 1 14  5  10 o 7.627000 2.252000  0.9971000      4.505000  
1 1 1 14  5  11 o 27.92000 1.050000  -1.561000      2.099000  
1 1 1 14  5  12 o 15.95000 1.939000  0.1365000      3.879000  
1 1 1 14  5  13 o 7.836000 2.476000  -0.6074000     4.953000  
1 1 1 14  5  14 o 17.63000 2.411000  -1.448000      4.822000  
1 1 1 14  5  15 o 7.883000 2.477000  -3.583000      4.953000  
1 1 1 14  5  16 o 11.56000 2.877000  -4.855000      5.754000  
1 1 1 14  5  17 o 6.743000 2.266000  0.7278000      4.532000  
1 1 1 14  6  0  o 31.08000 0.7725000 -4.268000      1.545000  
1 1 1 14  6  1  o 35.29000 0.7428000 0.9619000      1.486000  
1 1 1 14  6  2  o 57.21000 0.6116000 1.850000       1.223000  
1 1 1 14  6  3  o 65.16000 0.7779000 0.6607000      1.556000  
1 1 1 14  6  4  o 39.64000 0.8988000 -1.730000      1.798000  
1 1 1 14  6  5  o 23.54000 1.141000  -3.537000      2.282000  
1 1 1 14  6  6  o 21.10000 1.269000  0.8130000      2.538000  
1 1 1 14  6  7  o 58.30000 0.6584000 -1.600000      1.317000  
1 1 1 14  6  8  o 43.14000 0.7240000 -0.8860000     1.448000  
1 1 1 14  6  9  o 7.214000 2.157000  -0.3077000     4.314000  
1 1 1 14  6  10 o 6.446000 1.994000  3.694000       3.987000  
1 1 1 14  6  11 o 30.32000 0.9945000 -1.943000      1.989000  
1 1 1 14  6  12 o 22.22000 2.024000  -2.371000      4.048000  
1 1 1 14  6  13 o 17.76000 2.584000  -2.041000      5.168000  
1 1 1 14  6  14 o 8.166000 2.572000  1.227000       5.145000  
1 1 1 14  6  15 o 17.09000 2.505000  -2.859000      5.010000  
1 1 1 14  6  16 o 7.545000 2.421000  3.173000       4.841000  
1 1 1 14  6  17 o 6.629000 2.244000  -0.3242000     4.488000  
1 1 1 14  7  0  o 23.34000 1.038000  -5.885000      2.076000  
1 1 1 14  7  1  o 33.84000 0.7373000 -0.4197000     1.475000  
1 1 1 14  7  2  o 24.33000 0.9899000 -0.9240000     1.980000  
1 1 1 14  7  3  o 8.994000 2.157000  -1.265000      4.314000  
1 1 1 14  7  4  o 10.62000 2.163000  -1.445000      4.325000  
1 1 1 14  7  5  o 12.32000 1.996000  -5.846000      3.991000  
1 1 1 14  7  6  o 15.17000 1.786000  -1.018000      3.571000  
1 1 1 14  7  7  o 9.072000 2.145000  5.805000       4.290000  
1 1 1 14  7  8  o 15.35000 1.946000  -3.286000      3.892000  
1 1 1 14  7  9  o 8.249000 2.277000  2.704000       4.554000  
1 1 1 14  7  10 o 13.21000 2.252000  2.958000       4.505000  
1 1 1 14  7  11 o 9.244000 2.688000  -2.059000      5.376000  
1 1 1 14  7  12 o 8.985000 2.706000  -1.060000      5.412000  
1 1 1 14  7  13 o 9.755000 2.791000  2.870000       5.582000  
1 1 1 14  7  14 o 9.383000 2.642000  4.733000       5.285000  
1 1 1 14  7  15 o 7.093000 2.298000  1.921000       4.595000  
1 1 1 14  7  16 o 4.742000 1.708000  -0.2803000     3.415000  
1 1 1 14  7  17 o 7.270000 2.407000  -0.1310000     4.815000  
1 1 1 14  8  0  o 23.17000 0.9871000 0.9933000      1.974000  
1 1 1 14  8  1  o 30.75000 1.136000  1.408000       2.272000  
1 1 1 14  8  2  o 38.92000 0.7023000 0.4447000      1.405000  
1 1 1 14  8  3  o 40.42000 0.6948000 -2.363000      1.390000  
1 1 1 14  8  4  o 27.62000 0.9383000 0.1083000      1.877000  
1 1 1 14  8  5  o 24.55000 1.084000  -1.281000      2.168000  
1 1 1 14  8  6  o 15.87000 1.627000  -1.413000      3.253000  
1 1 1 14  8  7  o 5.139000 1.738000  0.6823000      3.476000  
1 1 1 14  8  8  o 17.08000 1.619000  -0.4490000     3.237000  
1 1 1 14  8  9  o 18.67000 2.275000  -9.806000      4.550000  
1 1 1 14  8  10 o 10.49000 2.834000  0.9841000      5.668000  
1 1 1 14  8  11 o 13.84000 2.763000  5.562000       5.525000  
1 1 1 14  8  12 o 13.84000 2.878000  3.480000       5.756000  
1 1 1 14  8  13 o 9.960000 2.759000  -3.328000      5.519000  
1 1 1 14  8  14 o 6.938000 2.326000  -0.7232000     4.651000  
1 1 1 14  8  15 o 8.407000 2.597000  -2.588000      5.194000  
1 1 1 14  8  16 o 5.433000 1.928000  -0.1764000     3.855000  
1 1 1 14  9  0  o 10.94000 1.837000  -6.562000      3.674000  
1 1 1 14  9  1  o 20.16000 1.153000  0.7443000E-01  2.306000  
1 1 1 14  9  2  o 17.80000 1.343000  -1.891000      2.685000  
1 1 1 14  9  3  o 13.12000 1.841000  0.2901000      3.682000  
1 1 1 14  9  4  f 10.28000 2.199000  -1.445000      4.398000  
1 1 1 14  9  5  o 9.161000 2.236000  -0.8493000     4.472000  
1 1 1 14  9  6  o 7.058000 2.120000  1.490000       4.241000  
1 1 1 14  9  7  o 11.27000 2.325000  -3.998000      4.650000  
1 1 1 14  9  8  o 8.343000 2.532000  -2.142000      5.064000  
1 1 1 14  9  9  o 11.85000 2.827000  0.9537000      5.653000  
1 1 1 14  9  10 f 8.335000 2.552000  -2.164000      5.103000  
1 1 1 14  9  11 o 6.479000 2.204000  1.884000       4.407000  
1 1 1 14  9  12 o 6.519000 2.212000  -0.4723000     4.423000  
1 1 1 14  9  13 o 6.325000 2.172000  0.1778000      4.343000  
1 1 1 14  9  14 f 9.685000 2.608000  6.322000       5.216000  
1 1 1 14  9  15 o 6.054000 2.107000  0.3148000      4.214000  
1 1 1 14  10 0  o 10.56000 2.010000  0.2428000      4.021000  
1 1 1 14  10 1  o 12.76000 1.813000  -0.4115000     3.625000  
1 1 1 14  10 2  o 6.555000 1.949000  0.1028000      3.898000  
1 1 1 14  10 3  o 14.66000 1.595000  -1.838000      3.189000  
1 1 1 14  10 4  o 13.54000 1.838000  -5.688000      3.675000  
1 1 1 14  10 5  o 16.73000 1.961000  -3.255000      3.921000  
1 1 1 14  10 6  o 7.720000 2.421000  -0.6181000     4.841000  
1 1 1 14  10 7  o 12.31000 2.588000  7.248000       5.175000  
1 1 1 14  10 8  o 14.79000 2.490000  9.706000       4.981000  
1 1 1 14  10 9  o 6.604000 2.230000  -0.5367000     4.460000  
1 1 1 14  10 10 o 14.85000 2.611000  -7.427000      5.222000  
1 1 1 14  10 11 o 6.937000 2.290000  1.015000       4.581000  
1 1 1 14  10 12 o 7.125000 2.361000  -2.300000      4.722000  
1 1 1 14  10 13 o 7.329000 2.406000  0.9269000      4.812000  
1 1 1 14  10 14 o 7.106000 2.376000  -1.236000      4.751000  
1 1 1 14  11 0  o 19.06000 1.165000  -0.2591000     2.329000  
1 1 1 14  11 1  o 6.602000 2.015000  -0.1273000     4.031000  
1 1 1 14  11 2  o 13.45000 2.605000  ?              ?         
1 1 1 14  11 3  o 8.772000 2.464000  -0.7119000     4.927000  
1 1 1 14  11 4  o 7.825000 2.367000  -1.074000      4.733000  
1 1 1 14  11 5  o 6.720000 2.201000  -0.2896000E-01 4.401000  
1 1 1 14  11 6  o 12.76000 2.822000  0.7705000      5.645000  
1 1 1 14  11 7  o 6.967000 2.296000  -1.766000      4.592000  
1 1 1 14  11 8  o 6.229000 2.126000  1.111000       4.253000  
1 1 1 14  11 9  o 9.197000 2.710000  -1.503000      5.420000  
1 1 1 14  11 10 o 7.987000 2.552000  -0.9111000     5.104000  
1 1 1 14  11 11 o 7.154000 2.398000  -2.226000      4.796000  
1 1 1 14  11 12 o 7.163000 2.396000  -2.098000      4.791000  
1 1 1 14  11 13 o 5.799000 2.034000  0.6220000      4.068000  
1 1 1 14  12 3  o 7.718000 2.325000  -2.312000      4.650000  
1 1 1 14  12 4  o 8.415000 2.410000  2.270000       4.820000  
1 1 1 14  12 5  o 6.778000 2.203000  0.2804000      4.405000  
1 1 1 14  12 6  o 7.050000 2.269000  -3.414000      4.539000  
1 1 1 14  12 7  o 9.313000 2.656000  -3.478000      5.313000  
1 1 1 14  12 8  o 6.684000 2.228000  1.979000       4.456000  
1 1 1 14  12 9  o 6.901000 2.304000  -1.306000      4.608000  
1 1 1 14  12 10 o 9.089000 2.738000  0.5535000      5.477000  
1 1 1 14  12 11 o 6.169000 2.136000  -0.4167000     4.271000  
1 1 1 15  0  0  o 25.42000 1.342000  0.000000       0.000000  
1 1 1 15  0  1  o 34.57000 1.084000  0.000000       0.000000  
1 1 1 15  0  2  o 19.20000 1.894000  0.000000       0.000000  
1 1 1 15  0  3  f 8.898000 3.970000  0.000000       0.000000  
1 1 1 15  0  4  o 36.96000 1.121000  0.000000       0.000000  
1 1 1 15  0  5  o 14.03000 3.168000  0.000000       0.000000  
1 1 1 15  0  6  o 10.32000 3.945000  0.000000       0.000000  
1 1 1 15  0  7  o 6.134000 3.676000  0.000000       0.000000  
1 1 1 15  0  8  o 69.19000 0.9719000 0.000000       0.000000  
1 1 1 15  0  9  o 12.65000 3.610000  0.000000       0.000000  
1 1 1 15  0  10 o 6.103000 3.687000  0.000000       0.000000  
1 1 1 15  0  11 o 7.807000 4.066000  0.000000       0.000000  
1 1 1 15  0  12 o 6.439000 3.765000  0.000000       0.000000  
1 1 1 15  0  13 o 14.78000 2.967000  0.000000       0.000000  
1 1 1 15  0  14 o 11.70000 3.760000  0.000000       0.000000  
1 1 1 15  0  15 o 6.251000 4.007000  0.000000       0.000000  
1 1 1 15  1  0  o 24.40000 0.9857000 0.2285000      1.971000  
1 1 1 15  1  1  o 26.09000 0.9145000 -0.2516000     1.829000  
1 1 1 15  1  2  o 19.69000 1.236000  1.340000       2.472000  
1 1 1 15  1  3  o 13.00000 2.064000  -1.087000      4.128000  
1 1 1 15  1  4  o 23.25000 1.176000  -3.667000      2.352000  
1 1 1 15  1  5  o 39.66000 0.7974000 3.166000       1.595000  
1 1 1 15  1  6  o 10.02000 2.306000  1.402000       4.612000  
1 1 1 15  1  7  o 9.590000 2.334000  -2.751000      4.669000  
1 1 1 15  1  8  o 23.21000 1.277000  1.432000       2.553000  
1 1 1 15  1  9  o 25.71000 1.096000  1.833000       2.193000  
1 1 1 15  1  10 o 8.238000 2.136000  -5.400000      4.272000  
1 1 1 15  1  11 o 8.643000 2.358000  -1.259000      4.715000  
1 1 1 15  1  12 o 9.200000 2.392000  2.210000       4.784000  
1 1 1 15  1  13 o 7.776000 2.228000  0.6667000      4.455000  
1 1 1 15  1  14 o 11.70000 2.333000  -0.6235000     4.667000  
1 1 1 15  1  15 o 8.849000 2.631000  1.246000       5.261000  
1 1 1 15  2  0  o 30.97000 0.8354000 1.364000       1.671000  
1 1 1 15  2  1  o 19.17000 1.295000  -2.002000      2.589000  
1 1 1 15  2  2  o 17.50000 1.449000  3.763000       2.898000  
1 1 1 15  2  3  o 10.98000 2.024000  -4.487000      4.049000  
1 1 1 15  2  4  o 29.01000 1.011000  -1.865000      2.023000  
1 1 1 15  2  5  o 22.49000 1.240000  -1.639000      2.479000  
1 1 1 15  2  6  o 7.114000 2.132000  2.714000       4.265000  
1 1 1 15  2  7  o 7.792000 2.275000  0.3544000      4.551000  
1 1 1 15  2  8  o 56.35000 0.6899000 -0.7756000     1.380000  
1 1 1 15  2  9  o 22.04000 1.337000  -1.661000      2.674000  
1 1 1 15  2  10 o 14.12000 2.161000  -3.249000      4.322000  
1 1 1 15  2  11 o 17.08000 1.830000  -2.218000      3.660000  
1 1 1 15  2  12 o 20.45000 1.490000  1.172000       2.981000  
1 1 1 15  2  13 o 36.69000 0.8116000 -0.7010000     1.623000  
1 1 1 15  2  14 o 14.04000 2.851000  -0.1990000     5.702000  
1 1 1 15  2  15 o 13.91000 2.728000  6.384000       5.456000  
1 1 1 15  2  16 o 13.69000 4.051000  ?              ?         
1 1 1 15  3  0  o 10.73000 1.985000  -3.560000      3.969000  
1 1 1 15  3  1  o 38.20000 0.6925000 1.147000       1.385000  
1 1 1 15  3  2  o 26.97000 0.9630000 -2.616000      1.926000  
1 1 1 15  3  3  f 21.85000 1.245000  -3.133000      2.490000  
1 1 1 15  3  4  o 39.75000 0.7311000 -1.819000      1.462000  
1 1 1 15  3  5  o 29.76000 0.9533000 5.048000       1.907000  
1 1 1 15  3  6  o 14.02000 2.084000  -4.826000      4.168000  
1 1 1 15  3  7  o 11.58000 2.243000  4.203000       4.487000  
1 1 1 15  3  8  o 24.17000 1.249000  -1.858000      2.497000  
1 1 1 15  3  9  o 8.644000 2.311000  -1.455000      4.621000  
1 1 1 15  3  10 o 9.915000 2.242000  -4.532000      4.485000  
1 1 1 15  3  11 o 14.70000 2.077000  7.302000       4.154000  
1 1 1 15  3  12 o 7.499000 2.092000  -4.878000      4.183000  
1 1 1 15  3  13 o 8.046000 2.412000  5.411000       4.823000  
1 1 1 15  3  14 o 8.391000 2.569000  2.060000       5.138000  
1 1 1 15  3  15 o 6.506000 2.214000  -0.6798000     4.427000  
1 1 1 15  3  16 o 9.150000 2.669000  1.476000       5.338000  
1 1 1 15  4  0  o 23.04000 0.9752000 -1.809000      1.950000  
1 1 1 15  4  1  o 25.05000 1.030000  -2.630000      2.059000  
1 1 1 15  4  2  o 30.70000 0.8640000 -1.126000      1.728000  
1 1 1 15  4  3  o 7.318000 2.114000  0.3065000      4.229000  
1 1 1 15  4  4  o 35.71000 0.7894000 -0.2950000     1.579000  
1 1 1 15  4  5  o 31.35000 0.9161000 0.1485000      1.832000  
1 1 1 15  4  6  o 12.23000 2.130000  6.565000       4.260000  
1 1 1 15  4  7  o 10.40000 2.068000  7.175000       4.136000  
1 1 1 15  4  8  o 26.55000 1.084000  -0.4517000     2.167000  
1 1 1 15  4  9  o 23.84000 1.225000  -1.532000      2.450000  
1 1 1 15  4  10 o 7.300000 2.125000  -2.999000      4.250000  
1 1 1 15  4  11 o 8.390000 2.317000  1.981000       4.634000  
1 1 1 15  4  12 o 15.49000 2.267000  -3.320000      4.533000  
1 1 1 15  4  13 o 24.25000 1.704000  5.220000       3.408000  
1 1 1 15  4  14 o 6.950000 2.309000  2.185000       4.617000  
1 1 1 15  4  15 o 7.010000 2.312000  1.884000       4.624000  
1 1 1 15  4  16 o 6.298000 2.158000  -0.7163000     4.317000  
1 1 1 15  5  0  o 38.96000 0.6492000 -0.2747000     1.298000  
1 1 1 15  5  1  o 23.03000 1.077000  -0.1442000     2.154000  
1 1 1 15  5  2  o 28.98000 0.9096000 -0.9424000     1.819000  
1 1 1 15  5  3  o 28.68000 0.9169000 -2.691000      1.834000  
1 1 1 15  5  4  o 22.51000 1.167000  1.703000       2.333000  
1 1 1 15  5  5  o 44.08000 0.7046000 -0.7760000     1.409000  
1 1 1 15  5  6  o 16.01000 1.720000  -2.378000      3.439000  
1 1 1 15  5  7  o 39.61000 0.7695000 -1.062000      1.539000  
1 1 1 15  5  8  o 10.60000 2.120000  7.070000       4.239000  
1 1 1 15  5  9  o 7.939000 2.297000  0.2624000      4.594000  
1 1 1 15  5  10 o 5.288000 1.808000  0.3696000      3.616000  
1 1 1 15  5  11 o 8.714000 2.432000  -2.620000      4.864000  
1 1 1 15  5  12 o 5.447000 1.914000  -0.7616000     3.828000  
1 1 1 15  5  13 o 8.518000 2.592000  2.947000       5.184000  
1 1 1 15  5  14 o 7.198000 2.372000  -0.8165000     4.743000  
1 1 1 15  5  15 o 7.097000 2.357000  0.4316000      4.715000  
1 1 1 15  5  16 o 7.090000 2.367000  -1.737000      4.733000  
1 1 1 15  6  0  o 33.41000 0.6976000 0.7944000      1.395000  
1 1 1 15  6  1  o 14.62000 1.750000  -4.620000      3.500000  
1 1 1 15  6  2  o 9.759000 2.156000  3.629000       4.311000  
1 1 1 15  6  3  o 8.687000 2.174000  3.994000       4.347000  
1 1 1 15  6  4  o 12.31000 2.030000  -2.847000      4.059000  
1 1 1 15  6  5  o 18.45000 1.387000  0.4933000E-01  2.775000  
1 1 1 15  6  6  o 20.27000 1.343000  0.9521000E-01  2.685000  
1 1 1 15  6  7  o 14.59000 2.018000  -5.648000      4.036000  
1 1 1 15  6  8  f 16.45000 1.860000  1.967000       3.721000  
1 1 1 15  6  9  o 13.03000 2.388000  1.702000       4.776000  
1 1 1 15  6  10 o 17.54000 2.202000  9.483000       4.404000  
1 1 1 15  6  11 f 7.554000 2.362000  4.547000       4.724000  
1 1 1 15  6  12 o 7.702000 2.412000  5.077000       4.824000  
1 1 1 15  6  13 o 13.80000 2.884000  3.479000       5.768000  
1 1 1 15  6  14 o 10.67000 2.896000  -2.594000      5.792000  
1 1 1 15  6  15 o 9.934000 2.612000  6.137000       5.224000  
1 1 1 15  6  16 o 7.332000 2.446000  -0.5495000     4.891000  
1 1 1 15  7  0  o 9.507000 2.065000  0.4268000      4.129000  
1 1 1 15  7  1  o 26.58000 0.8975000 0.8153000      1.795000  
1 1 1 15  7  2  f 25.30000 1.171000  -2.389000      2.342000  
1 1 1 15  7  3  o 11.23000 2.087000  -2.548000      4.175000  
1 1 1 15  7  4  o 14.42000 1.887000  -5.163000      3.773000  
1 1 1 15  7  5  o 7.025000 2.277000  0.4023000E-01  4.553000  
1 1 1 15  7  6  o 8.234000 2.045000  6.838000       4.091000  
1 1 1 15  7  7  o 9.916000 2.206000  -4.398000      4.412000  
1 1 1 15  7  8  o 9.134000 2.381000  -2.694000      4.762000  
1 1 1 15  7  9  o 11.14000 2.841000  0.7445000      5.682000  
1 1 1 15  7  10 o 8.199000 2.543000  1.795000       5.086000  
1 1 1 15  7  11 o 6.139000 2.113000  -2.097000      4.226000  
1 1 1 15  7  12 o 8.921000 2.696000  -1.718000      5.393000  
1 1 1 15  7  13 o 7.744000 2.473000  2.649000       4.946000  
1 1 1 15  7  14 o 5.537000 1.950000  -1.164000      3.901000  
1 1 1 15  7  15 o 5.561000 1.961000  0.7963000      3.921000  
1 1 1 15  8  0  o 10.55000 2.591000  3.553000       5.182000  
1 1 1 15  8  1  o 8.252000 2.111000  1.263000       4.222000  
1 1 1 15  8  2  o 12.33000 1.913000  4.104000       3.826000  
1 1 1 15  8  3  o 17.41000 1.467000  -4.444000      2.934000  
1 1 1 15  8  4  o 7.378000 2.081000  -1.999000      4.161000  
1 1 1 15  8  5  o 6.636000 2.049000  -0.5463000     4.098000  
1 1 1 15  8  6  o 16.28000 1.787000  1.457000       3.575000  
1 1 1 15  8  7  o 11.60000 2.516000  1.725000       5.033000  
1 1 1 15  8  8  o 12.15000 2.714000  3.810000       5.429000  
1 1 1 15  8  9  o 14.72000 2.597000  8.523000       5.193000  
1 1 1 15  8  10 o 7.699000 2.415000  -3.606000      4.830000  
1 1 1 15  8  11 o 9.165000 2.701000  -3.199000      5.402000  
1 1 1 15  8  12 o 13.18000 2.883000  -2.053000      5.765000  
1 1 1 15  8  13 o 16.15000 2.752000  1.371000       5.505000  
1 1 1 15  8  14 o 6.255000 2.163000  -0.3777000     4.326000  
1 1 1 15  9  0  o 14.54000 1.638000  4.933000       3.276000  
1 1 1 15  9  1  o 11.93000 1.949000  -0.7881000     3.897000  
1 1 1 15  9  2  o 8.486000 1.941000  -4.552000      3.883000  
1 1 1 15  9  3  o 9.118000 2.030000  5.052000       4.061000  
1 1 1 15  9  4  o 10.10000 2.212000  -1.844000      4.423000  
1 1 1 15  9  5  o 6.113000 2.047000  -1.506000      4.094000  
1 1 1 15  9  6  o 5.943000 2.027000  -0.2273000     4.055000  
1 1 1 15  9  7  o 6.693000 2.216000  0.8083000E-01  4.431000  
1 1 1 15  9  8  o 9.173000 2.642000  -2.707000      5.283000  
1 1 1 15  9  9  o 5.897000 2.037000  -1.752000      4.074000  
1 1 1 15  9  11 o 13.87000 2.825000  -3.717000      5.651000  
1 1 1 15  9  12 o 6.132000 2.103000  0.3529000      4.205000  
1 1 1 15  9  13 o 6.538000 2.223000  0.4627000      4.446000  
1 1 1 15  10 0  o 10.60000 2.098000  1.592000       4.196000  
1 1 1 15  10 1  o 10.90000 2.302000  -1.927000      4.605000  
1 1 1 15  10 2  o 6.356000 2.065000  -1.823000      4.131000  
1 1 1 15  10 3  o 11.14000 2.454000  4.181000       4.907000  
1 1 1 15  10 4  o 6.894000 2.158000  3.376000       4.316000  
1 1 1 15  10 5  o 9.805000 2.343000  -6.771000      4.685000  
1 1 1 15  10 6  o 13.91000 2.709000  -2.814000      5.417000  
1 1 1 15  10 7  o 7.632000 2.440000  1.566000       4.879000  
1 1 1 15  10 8  o 7.193000 2.341000  -0.2749000E-01 4.682000  
1 1 1 15  10 9  o 6.323000 2.154000  -0.8279000     4.307000  
1 1 1 15  10 10 f 9.405000 2.702000  0.2064000      5.404000  
1 1 1 15  10 11 o 6.439000 2.191000  -1.262000      4.381000  
1 1 1 15  10 12 o 6.726000 2.265000  0.8853000E-01  4.529000  
1 1 1 15  11 4  o 8.740000 3.603000  ?              ?         
1 1 1 15  11 5  o 15.51000 2.426000  -5.547000      4.852000  
1 1 1 15  11 6  o 25.97000 1.659000  -2.627000      3.319000  
1 1 1 15  11 7  o 8.491000 2.484000  5.182000       4.968000  
1 1 1 15  11 8  o 6.521000 2.202000  -1.508000      4.404000  
1 1 1 15  11 9  o 7.157000 2.366000  -1.247000      4.731000  
1 1 1 15  11 10 o 6.119000 2.110000  0.1541000      4.220000  
1 1 1 16  0  0  o 18.23000 1.923000  0.000000       0.000000  
1 1 1 16  0  1  o 5.383000 3.302000  0.000000       0.000000  
1 1 1 16  0  2  o 5.870000 3.406000  0.000000       0.000000  
1 1 1 16  0  3  o 5.143000 3.237000  0.000000       0.000000  
1 1 1 16  0  4  o 23.35000 1.711000  0.000000       0.000000  
1 1 1 16  0  5  o 15.71000 2.613000  0.000000       0.000000  
1 1 1 16  0  6  o 2.844000 2.088000  0.000000       0.000000  
1 1 1 16  0  7  o 6.607000 3.847000  0.000000       0.000000  
1 1 1 16  0  8  o 39.82000 1.205000  0.000000       0.000000  
1 1 1 16  0  9  o 9.717000 4.127000  0.000000       0.000000  
1 1 1 16  0  10 o 16.46000 2.814000  0.000000       0.000000  
1 1 1 16  0  11 o 3.639000 2.573000  0.000000       0.000000  
1 1 1 16  0  12 o 26.04000 1.637000  0.000000       0.000000  
1 1 1 16  0  13 o 7.549000 3.889000  0.000000       0.000000  
1 1 1 16  0  14 o 13.82000 4.959000  0.000000       0.000000  
1 1 1 16  1  0  o 22.40000 1.092000  0.2394000      2.183000  
1 1 1 16  1  1  o 18.68000 1.367000  -4.149000      2.734000  
1 1 1 16  1  2  o 9.451000 2.200000  0.5693000      4.401000  
1 1 1 16  1  3  o 36.30000 0.7848000 0.4342000      1.570000  
1 1 1 16  1  4  o 15.22000 1.876000  -5.692000      3.752000  
1 1 1 16  1  5  o 21.57000 1.321000  0.8539000E-02  2.642000  
1 1 1 16  1  6  o 33.51000 0.9111000 -0.5747000     1.822000  
1 1 1 16  1  7  o 40.96000 0.7991000 1.976000       1.598000  
1 1 1 16  1  8  o 25.75000 1.168000  -1.152000      2.336000  
1 1 1 16  1  9  o 21.79000 1.357000  -2.811000      2.714000  
1 1 1 16  1  10 o 14.49000 2.067000  1.017000       4.134000  
1 1 1 16  1  11 o 7.419000 2.217000  0.5805000      4.434000  
1 1 1 16  1  12 o 7.107000 2.142000  -0.6150000     4.285000  
1 1 1 16  1  13 o 7.866000 2.323000  -1.597000      4.645000  
1 1 1 16  1  14 f 7.507000 2.376000  2.271000       4.752000  
1 1 1 16  2  0  o 15.86000 1.582000  -3.054000      3.165000  
1 1 1 16  2  1  o 6.074000 1.920000  0.5150000      3.839000  
1 1 1 16  2  2  o 7.998000 2.149000  1.758000       4.298000  
1 1 1 16  2  3  o 14.45000 1.898000  -4.775000      3.795000  
1 1 1 16  2  4  o 6.050000 1.940000  -0.3416000     3.880000  
1 1 1 16  2  5  o 7.520000 2.219000  -0.3187000     4.438000  
1 1 1 16  2  6  o 6.114000 1.991000  0.2717000      3.982000  
1 1 1 16  2  7  o 11.46000 2.217000  5.375000       4.434000  
1 1 1 16  2  8  f 14.31000 2.137000  -0.8691000     4.274000  
1 1 1 16  2  9  o 8.021000 2.350000  2.297000       4.700000  
1 1 1 16  2  10 o 22.00000 1.369000  -3.223000      2.738000  
1 1 1 16  2  11 o 22.08000 1.344000  0.4649000      2.687000  
1 1 1 16  2  12 o 12.09000 2.180000  -4.234000      4.359000  
1 1 1 16  2  13 o 10.16000 2.508000  -8.052000      5.016000  
1 1 1 16  2  14 o 8.946000 2.631000  1.675000       5.262000  
1 1 1 16  2  15 o 10.27000 3.944000  ?              ?         
1 1 1 16  3  0  o 42.32000 0.6650000 -0.2788000     1.330000  
1 1 1 16  3  1  o 32.08000 0.8040000 1.307000       1.608000  
1 1 1 16  3  2  o 12.89000 1.933000  3.956000       3.866000  
1 1 1 16  3  3  o 32.56000 0.8788000 -1.232000      1.758000  
1 1 1 16  3  4  f 5.879000 1.921000  1.624000       3.842000  
1 1 1 16  3  5  f 18.80000 1.372000  -1.084000      2.744000  
1 1 1 16  3  6  o 28.53000 1.010000  -4.536000      2.020000  
1 1 1 16  3  7  o 49.29000 0.6993000 0.2012000      1.399000  
1 1 1 16  3  8  f 22.82000 1.317000  -1.266000      2.634000  
1 1 1 16  3  9  o 8.651000 2.253000  -4.521000      4.506000  
1 1 1 16  3  10 o 7.623000 2.214000  2.985000       4.428000  
1 1 1 16  3  11 o 7.940000 2.261000  -1.589000      4.522000  
1 1 1 16  3  12 o 7.541000 2.411000  2.314000       4.823000  
1 1 1 16  3  13 o 8.010000 2.486000  2.638000       4.973000  
1 1 1 16  3  14 o 7.004000 2.328000  -1.254000      4.656000  
1 1 1 16  3  15 o 5.229000 1.854000  -0.4186000     3.708000  
1 1 1 16  4  0  o 7.376000 2.039000  -1.506000      4.078000  
1 1 1 16  4  1  o 6.746000 1.928000  -3.811000      3.856000  
1 1 1 16  4  2  o 5.526000 1.823000  0.1161000      3.645000  
1 1 1 16  4  3  o 11.37000 2.154000  1.557000       4.309000  
1 1 1 16  4  4  o 8.067000 2.156000  -1.454000      4.312000  
1 1 1 16  4  5  o 6.380000 2.005000  0.2690000      4.010000  
1 1 1 16  4  6  o 7.689000 2.097000  -4.529000      4.193000  
1 1 1 16  4  7  o 19.97000 1.517000  -1.356000      3.035000  
1 1 1 16  4  8  o 12.27000 2.302000  -4.617000      4.605000  
1 1 1 16  4  9  f 6.998000 2.150000  1.147000       4.301000  
1 1 1 16  4  10 o 6.497000 2.041000  -3.140000      4.082000  
1 1 1 16  4  11 o 7.553000 2.421000  -0.1212000     4.841000  
1 1 1 16  4  12 o 7.041000 2.291000  -1.399000      4.583000  
1 1 1 16  4  13 o 17.46000 2.428000  11.22000       4.855000  
1 1 1 16  4  14 o 7.868000 2.525000  -1.667000      5.049000  
1 1 1 16  4  15 o 7.518000 2.468000  1.744000       4.936000  
1 1 1 16  5  0  o 17.76000 1.299000  -2.373000      2.599000  
1 1 1 16  5  1  o 5.577000 1.800000  -0.6398000     3.601000  
1 1 1 16  5  2  o 11.37000 2.068000  -3.757000      4.135000  
1 1 1 16  5  3  o 15.74000 1.679000  3.674000       3.358000  
1 1 1 16  5  4  o 18.08000 1.408000  2.405000       2.817000  
1 1 1 16  5  5  o 15.61000 1.786000  -4.592000      3.572000  
1 1 1 16  5  6  o 6.329000 2.010000  2.197000       4.020000  
1 1 1 16  5  7  o 10.05000 2.419000  1.583000       4.839000  
1 1 1 16  5  8  o 7.710000 2.257000  -1.876000      4.514000  
1 1 1 16  5  9  o 6.907000 2.155000  -1.003000      4.310000  
1 1 1 16  5  10 o 5.776000 2.008000  0.7282000      4.017000  
1 1 1 16  5  11 o 6.701000 2.241000  -0.7431000     4.482000  
1 1 1 16  5  12 o 5.724000 2.004000  1.704000       4.008000  
1 1 1 16  5  13 o 8.021000 2.492000  3.765000       4.983000  
1 1 1 16  5  14 o 9.247000 2.678000  3.697000       5.356000  
1 1 1 16  6  0  o 8.977000 2.082000  1.776000       4.163000  
1 1 1 16  6  1  o 5.641000 1.809000  -0.9931000     3.618000  
1 1 1 16  6  2  o 8.139000 2.090000  -2.061000      4.181000  
1 1 1 16  6  3  o 11.45000 2.113000  -1.910000      4.225000  
1 1 1 16  6  4  o 10.01000 2.285000  0.9449000      4.569000  
1 1 1 16  6  5  o 9.594000 2.147000  -4.743000      4.294000  
1 1 1 16  6  6  o 6.155000 1.981000  -0.4492000     3.962000  
1 1 1 16  6  7  o 8.310000 2.186000  -3.543000      4.372000  
1 1 1 16  6  8  o 5.468000 1.879000  0.2243000      3.757000  
1 1 1 16  6  9  o 8.590000 2.622000  2.240000       5.244000  
1 1 1 16  6  10 o 11.49000 2.728000  -4.626000      5.455000  
1 1 1 16  6  11 o 11.36000 2.884000  0.6746000      5.768000  
1 1 1 16  6  12 o 9.226000 2.655000  -4.427000      5.311000  
1 1 1 16  6  13 o 6.012000 2.091000  1.105000       4.183000  
1 1 1 16  7  0  o 7.899000 2.053000  0.7298000      4.105000  
1 1 1 16  7  1  o 7.708000 2.032000  -2.694000      4.064000  
1 1 1 16  7  2  o 26.03000 0.9340000 0.2803000      1.868000  
1 1 1 16  7  3  o 9.095000 2.172000  3.143000       4.344000  
1 1 1 16  7  4  o 25.78000 1.055000  -1.257000      2.111000  
1 1 1 16  7  5  o 8.889000 2.333000  0.6781000      4.666000  
1 1 1 16  7  6  o 15.39000 2.216000  -4.977000      4.432000  
1 1 1 16  7  7  o 9.916000 2.739000  1.563000       5.478000  
1 1 1 16  7  8  o 15.29000 2.677000  4.515000       5.354000  
1 1 1 16  7  9  o 8.189000 2.539000  -2.757000      5.079000  
1 1 1 16  7  10 o 8.333000 2.603000  -0.3380000     5.205000  
1 1 1 16  7  11 o 6.533000 2.222000  -2.545000      4.444000  
1 1 1 16  7  12 f 7.806000 2.515000  0.3270000E-01  5.030000  
1 1 1 16  7  13 o 5.548000 1.960000  0.5091000      3.920000  
1 1 1 16  8  0  o 10.29000 2.063000  -4.003000      4.126000  
1 1 1 16  8  1  o 12.85000 1.834000  1.482000       3.668000  
1 1 1 16  8  2  f 6.509000 1.988000  2.708000       3.975000  
1 1 1 16  8  3  o 6.076000 1.957000  2.141000       3.914000  
1 1 1 16  8  4  o 12.59000 2.165000  -8.181000      4.331000  
1 1 1 16  8  5  o 8.998000 2.529000  -3.040000      5.058000  
1 1 1 16  8  6  o 9.254000 2.526000  -4.792000      5.052000  
1 1 1 16  8  7  o 7.999000 2.486000  -1.537000      4.971000  
1 1 1 16  8  8  o 8.119000 2.506000  -3.661000      5.013000  
1 1 1 16  8  9  o 10.56000 2.814000  -0.7835000     5.628000  
1 1 1 16  8  10 o 7.762000 2.456000  -3.677000      4.912000  
1 1 1 16  8  11 o 8.149000 2.516000  2.617000       5.031000  
1 1 1 16  8  12 o 5.869000 2.035000  1.994000       4.071000  
1 1 1 16  9  0  o 8.336000 2.323000  0.9751000      4.647000  
1 1 1 16  9  1  o 7.377000 2.258000  3.337000       4.515000  
1 1 1 16  9  2  o 9.553000 2.427000  0.5995000      4.853000  
1 1 1 16  9  3  o 10.43000 2.398000  -3.319000      4.796000  
1 1 1 16  9  4  o 10.55000 2.372000  7.478000       4.745000  
1 1 1 16  9  5  o 15.85000 2.498000  4.484000       4.995000  
1 1 1 16  9  6  o 19.57000 2.089000  -1.133000      4.178000  
1 1 1 16  9  7  o 11.54000 2.723000  -4.288000      5.447000  
1 1 1 16  9  8  o 11.68000 2.814000  -2.732000      5.627000  
1 1 1 16  9  9  o 6.758000 2.255000  0.9937000      4.509000  
1 1 1 16  9  10 o 8.773000 2.641000  1.045000       5.283000  
1 1 1 16  9  11 f 7.570000 2.444000  1.402000       4.888000  
1 1 1 16  10 6  o 6.278000 2.999000  ?              ?         
1 1 1 16  10 7  o 6.449000 2.172000  1.144000       4.344000  
1 1 1 16  10 8  o 5.431000 1.905000  -0.6165000     3.810000  
1 1 1 16  10 9  o 5.344000 1.888000  -0.7053000     3.775000  
1 1 1 17  0  0  o 9.178000 3.787000  0.000000       0.000000  
1 1 1 17  0  1  o 6.363000 3.525000  0.000000       0.000000  
1 1 1 17  0  2  o 4.125000 2.800000  0.000000       0.000000  
1 1 1 17  0  3  o 6.805000 3.720000  0.000000       0.000000  
1 1 1 17  0  4  o 4.213000 2.876000  0.000000       0.000000  
1 1 1 17  0  5  o 6.413000 3.790000  0.000000       0.000000  
1 1 1 17  0  6  f 4.602000 3.118000  0.000000       0.000000  
1 1 1 17  0  7  o 4.404000 3.023000  0.000000       0.000000  
1 1 1 17  0  8  o 10.06000 4.308000  0.000000       0.000000  
1 1 1 17  0  9  o 5.058000 3.340000  0.000000       0.000000  
1 1 1 17  0  10 o 4.371000 2.963000  0.000000       0.000000  
1 1 1 17  0  11 o 3.998000 2.801000  0.000000       0.000000  
1 1 1 17  0  12 o 8.998000 4.173000  0.000000       0.000000  
1 1 1 17  1  0  f 16.42000 1.553000  4.692000       3.106000  
1 1 1 17  1  1  o 11.23000 2.047000  -3.353000      4.093000  
1 1 1 17  1  2  o 9.434000 2.211000  1.962000       4.421000  
1 1 1 17  1  3  o 25.59000 1.011000  -1.459000      2.022000  
1 1 1 17  1  4  o 26.13000 1.092000  -0.2115000     2.185000  
1 1 1 17  1  5  o 17.88000 1.665000  0.7257000E-01  3.330000  
1 1 1 17  1  6  o 8.482000 2.310000  2.728000       4.620000  
1 1 1 17  1  7  o 7.011000 2.109000  -3.403000      4.218000  
1 1 1 17  1  8  o 13.65000 2.193000  -4.153000      4.387000  
1 1 1 17  1  9  o 7.655000 2.205000  -1.928000      4.409000  
1 1 1 17  1  10 o 6.098000 1.988000  -1.256000      3.975000  
1 1 1 17  1  11 o 6.886000 2.131000  2.415000       4.262000  
1 1 1 17  1  12 o 7.555000 2.353000  -0.3447000     4.705000  
1 1 1 17  1  13 o 7.842000 2.501000  0.7801000      5.003000  
1 1 1 17  2  0  o 15.24000 1.646000  2.019000       3.292000  
1 1 1 17  2  1  o 19.87000 1.293000  3.827000       2.586000  
1 1 1 17  2  2  o 8.180000 2.192000  -0.7916000     4.384000  
1 1 1 17  2  3  o 21.31000 1.241000  1.220000       2.483000  
1 1 1 17  2  4  o 16.10000 1.861000  -6.052000      3.722000  
1 1 1 17  2  5  o 13.92000 2.156000  0.4567000      4.311000  
1 1 1 17  2  6  o 7.191000 2.128000  3.898000       4.256000  
1 1 1 17  2  7  o 9.568000 2.445000  -0.5565000     4.890000  
1 1 1 17  2  8  o 8.851000 2.347000  -2.399000      4.694000  
1 1 1 17  2  9  o 5.389000 1.830000  0.9534000      3.661000  
1 1 1 17  2  10 o 7.531000 2.258000  -0.6866000     4.515000  
1 1 1 17  2  11 o 6.002000 2.023000  3.099000       4.046000  
1 1 1 17  2  12 o 6.634000 2.231000  3.167000       4.462000  
1 1 1 17  2  13 o 6.724000 2.260000  -0.3966000     4.520000  
1 1 1 17  3  0  o 30.69000 0.8024000 1.110000       1.605000  
1 1 1 17  3  1  o 13.22000 1.949000  2.389000       3.898000  
1 1 1 17  3  2  o 16.57000 1.562000  -1.284000      3.124000  
1 1 1 17  3  3  o 31.18000 0.8998000 -2.493000      1.800000  
1 1 1 17  3  4  o 27.49000 1.089000  -1.615000      2.177000  
1 1 1 17  3  5  o 13.05000 2.269000  -1.254000      4.539000  
1 1 1 17  3  6  o 8.247000 2.311000  -1.245000      4.622000  
1 1 1 17  3  7  o 6.842000 2.131000  -0.9860000     4.261000  
1 1 1 17  3  8  o 13.87000 2.140000  -1.607000      4.281000  
1 1 1 17  3  9  o 15.07000 2.016000  -6.278000      4.033000  
1 1 1 17  3  10 o 8.637000 2.514000  1.019000       5.029000  
1 1 1 17  3  11 o 9.293000 2.603000  4.740000       5.206000  
1 1 1 17  3  12 o 7.313000 2.401000  -1.012000      4.802000  
1 1 1 17  3  13 o 7.348000 2.438000  -0.1111000E-01 4.877000  
1 1 1 17  4  0  o 8.652000 2.086000  1.720000       4.172000  
1 1 1 17  4  1  o 11.09000 2.137000  -1.643000      4.274000  
1 1 1 17  4  2  o 8.479000 2.183000  -0.9159000     4.367000  
1 1 1 17  4  3  f 7.223000 2.132000  1.298000       4.265000  
1 1 1 17  4  4  o 9.358000 2.212000  -3.645000      4.424000  
1 1 1 17  4  5  o 8.704000 2.354000  0.9327000      4.709000  
1 1 1 17  4  6  o 6.684000 2.095000  -0.1612000     4.190000  
1 1 1 17  4  7  o 10.72000 1.915000  -8.906000      3.830000  
1 1 1 17  4  8  o 6.290000 1.988000  -1.730000      3.976000  
1 1 1 17  4  9  o 6.430000 2.140000  0.4100000      4.280000  
1 1 1 17  4  10 o 5.938000 2.054000  2.307000       4.107000  
1 1 1 17  4  11 o 10.02000 2.738000  3.694000       5.476000  
1 1 1 17  4  12 o 7.033000 2.334000  1.215000       4.668000  
1 1 1 17  5  0  f 20.68000 1.154000  -5.672000      2.307000  
1 1 1 17  5  1  o 5.859000 1.850000  -2.179000      3.701000  
1 1 1 17  5  2  o 7.629000 2.187000  0.4080000      4.375000  
1 1 1 17  5  3  o 12.56000 2.105000  2.798000       4.209000  
1 1 1 17  5  4  o 7.527000 2.150000  -1.605000      4.300000  
1 1 1 17  5  5  o 12.57000 2.110000  -0.7052000     4.220000  
1 1 1 17  5  6  o 10.42000 2.456000  -0.6920000     4.911000  
1 1 1 17  5  7  o 6.432000 2.004000  2.685000       4.008000  
1 1 1 17  5  8  o 8.544000 2.583000  0.7827000      5.166000  
1 1 1 17  5  9  o 11.95000 2.839000  1.598000       5.678000  
1 1 1 17  5  10 o 19.29000 2.233000  -5.782000      4.467000  
1 1 1 17  5  11 o 9.972000 2.804000  -1.728000      5.609000  
1 1 1 17  5  12 o 5.898000 2.059000  -1.426000      4.118000  
1 1 1 17  6  0  o 14.74000 1.616000  -0.7069000     3.232000  
1 1 1 17  6  1  o 21.94000 1.252000  -3.086000      2.504000  
1 1 1 17  6  2  o 7.576000 2.162000  -1.329000      4.324000  
1 1 1 17  6  3  o 8.627000 2.253000  -1.030000      4.506000  
1 1 1 17  6  4  o 5.358000 1.802000  0.5164000      3.603000  
1 1 1 17  6  5  o 6.733000 2.086000  1.050000       4.172000  
1 1 1 17  6  6  o 8.610000 2.527000  -2.796000      5.054000  
1 1 1 17  6  7  o 6.235000 2.115000  -1.455000      4.229000  
1 1 1 17  6  8  o 7.697000 2.449000  -0.6003000     4.897000  
1 1 1 17  6  9  o 7.739000 2.441000  2.185000       4.881000  
1 1 1 17  6  10 o 6.392000 2.174000  -0.4092000     4.349000  
1 1 1 17  6  11 o 6.188000 2.132000  -0.5614000     4.264000  
1 1 1 17  7  0  o 7.338000 2.028000  -1.726000      4.055000  
1 1 1 17  7  1  o 16.99000 1.500000  1.050000       3.000000  
1 1 1 17  7  2  o 6.720000 2.049000  -1.683000      4.099000  
1 1 1 17  7  3  o 16.50000 2.627000  3.211000       5.253000  
1 1 1 17  7  4  o 20.27000 1.904000  -0.5812000     3.807000  
1 1 1 17  7  5  o 10.52000 2.724000  1.797000       5.448000  
1 1 1 17  7  6  o 10.35000 2.726000  0.8102000      5.453000  
1 1 1 17  7  7  o 10.70000 2.753000  3.832000       5.507000  
1 1 1 17  7  9  o 8.691000 2.627000  0.9449000      5.254000  
1 1 1 17  7  10 o 5.571000 1.956000  -0.1986000     3.912000  
1 1 1 17  8  0  o 5.619000 2.576000  ?              ?         
1 1 1 17  8  1  o 5.952000 1.971000  0.3158000      3.942000  
1 1 1 17  8  2  o 10.27000 2.367000  7.260000       4.735000  
1 1 1 17  8  3  o 9.948000 2.647000  4.362000       5.294000  
1 1 1 17  8  4  o 11.01000 2.370000  -7.431000      4.740000  
1 1 1 17  8  5  o 8.108000 2.433000  4.402000       4.866000  
1 1 1 17  8  6  o 5.738000 1.992000  -0.6658000E-02 3.984000  
1 1 1 17  8  7  o 9.971000 2.629000  -5.900000      5.257000  
1 1 1 17  8  8  o 6.341000 2.157000  0.6893000      4.315000  
1 1 1 17  8  9  o 4.390000 1.585000  0.2606000      3.170000  
1 1 1 17  9  8  o 5.966000 2.950000  ?              ?         
1 1 1 18  0  0  o 19.84000 2.040000  0.000000       0.000000  
1 1 1 18  0  1  o 24.04000 1.610000  0.000000       0.000000  
1 1 1 18  0  2  o 15.38000 2.812000  0.000000       0.000000  
1 1 1 18  0  3  o 4.806000 3.169000  0.000000       0.000000  
1 1 1 18  0  4  o 4.172000 2.877000  0.000000       0.000000  
1 1 1 18  0  5  o 12.43000 3.717000  0.000000       0.000000  
1 1 1 18  0  6  o 6.304000 3.686000  0.000000       0.000000  
1 1 1 18  0  7  o 5.202000 3.343000  0.000000       0.000000  
1 1 1 18  0  8  o 4.636000 3.131000  0.000000       0.000000  
1 1 1 18  0  9  o 4.873000 3.259000  0.000000       0.000000  
1 1 1 18  0  10 o 6.197000 3.687000  0.000000       0.000000  
1 1 1 18  0  11 o 16.88000 3.050000  0.000000       0.000000  
1 1 1 18  1  0  o 10.53000 2.270000  2.588000       4.540000  
1 1 1 18  1  1  o 14.17000 1.960000  0.6202000      3.920000  
1 1 1 18  1  2  o 5.953000 1.945000  0.9205000      3.890000  
1 1 1 18  1  3  o 13.84000 2.003000  -3.719000      4.006000  
1 1 1 18  1  4  o 13.90000 2.067000  -2.026000      4.134000  
1 1 1 18  1  5  o 5.650000 1.900000  -0.4865000     3.799000  
1 1 1 18  1  6  o 16.74000 1.942000  3.448000       3.885000  
1 1 1 18  1  7  o 6.622000 2.124000  0.2925000      4.247000  
1 1 1 18  1  8  o 14.43000 2.113000  2.317000       4.226000  
1 1 1 18  1  9  o 7.672000 2.229000  -1.539000      4.458000  
1 1 1 18  1  10 o 10.86000 2.418000  3.317000       4.836000  
1 1 1 18  1  11 o 14.65000 2.947000  2.394000       5.894000  
1 1 1 18  2  0  o 26.64000 1.052000  -3.329000      2.103000  
1 1 1 18  2  1  o 8.910000 2.254000  -0.7932000     4.507000  
1 1 1 18  2  2  o 18.28000 1.532000  -2.696000      3.065000  
1 1 1 18  2  3  o 18.03000 1.589000  0.9940000      3.179000  
1 1 1 18  2  4  o 16.89000 1.674000  0.4871000      3.348000  
1 1 1 18  2  5  o 7.333000 2.081000  -3.641000      4.162000  
1 1 1 18  2  6  o 9.288000 2.306000  -3.349000      4.612000  
1 1 1 18  2  7  o 6.242000 2.013000  0.2610000      4.026000  
1 1 1 18  2  8  o 7.281000 2.208000  0.3486000      4.416000  
1 1 1 18  2  9  f 6.756000 2.090000  3.783000       4.181000  
1 1 1 18  2  10 o 7.086000 2.355000  -1.657000      4.709000  
1 1 1 18  3  0  o 13.84000 1.896000  -1.187000      3.792000  
1 1 1 18  3  1  o 28.73000 0.9324000 1.895000       1.865000  
1 1 1 18  3  2  o 15.20000 1.829000  -1.666000      3.658000  
1 1 1 18  3  3  o 7.648000 2.239000  0.4095000      4.479000  
1 1 1 18  3  4  o 15.91000 1.850000  -1.042000      3.699000  
1 1 1 18  3  5  o 5.634000 1.876000  -0.7893000     3.752000  
1 1 1 18  3  6  o 8.141000 2.097000  5.907000       4.193000  
1 1 1 18  3  7  o 7.592000 2.229000  1.507000       4.458000  
1 1 1 18  3  8  o 6.811000 2.209000  0.4869000E-01  4.418000  
1 1 1 18  3  9  o 5.356000 1.898000  0.7199000      3.796000  
1 1 1 18  3  10 o 6.331000 2.161000  2.132000       4.322000  
1 1 1 18  4  0  o 22.08000 1.215000  4.393000       2.430000  
1 1 1 18  4  1  o 27.71000 1.020000  -1.154000      2.039000  
1 1 1 18  4  2  o 8.055000 2.039000  5.394000       4.078000  
1 1 1 18  4  3  o 7.213000 2.129000  -2.219000      4.259000  
1 1 1 18  4  4  o 12.61000 2.185000  -2.089000      4.370000  
1 1 1 18  4  5  o 6.559000 2.066000  1.192000       4.131000  
1 1 1 18  4  6  o 6.302000 2.023000  2.215000       4.046000  
1 1 1 18  4  7  o 7.901000 2.397000  3.162000       4.794000  
1 1 1 18  4  8  o 8.502000 2.623000  -0.5234000     5.246000  
1 1 1 18  4  9  o 5.866000 2.037000  0.7696000      4.075000  
1 1 1 18  4  10 f 6.289000 2.156000  1.510000       4.312000  
1 1 1 18  5  0  o 11.78000 2.192000  3.060000       4.385000  
1 1 1 18  5  1  o 19.64000 1.322000  0.3102000      2.644000  
1 1 1 18  5  2  o 6.636000 2.001000  3.251000       4.001000  
1 1 1 18  5  3  o 6.475000 1.989000  4.099000       3.978000  
1 1 1 18  5  4  o 25.83000 1.133000  -4.155000      2.266000  
1 1 1 18  5  5  o 10.13000 2.435000  -2.385000      4.871000  
1 1 1 18  5  6  o 12.69000 2.652000  -6.969000      5.304000  
1 1 1 18  5  8  o 15.06000 2.683000  1.428000       5.367000  
1 1 1 18  5  9  o 6.383000 2.168000  0.4138000      4.337000  
1 1 1 18  6  0  o 5.063000 1.714000  -1.162000      3.427000  
1 1 1 18  6  1  o 7.859000 2.179000  -0.7408000     4.358000  
1 1 1 18  6  2  o 27.67000 1.017000  -2.001000      2.033000  
1 1 1 18  6  3  o 6.105000 1.999000  -0.2960000     3.997000  
1 1 1 18  6  4  o 9.599000 2.539000  -4.608000      5.078000  
1 1 1 18  6  5  o 7.075000 2.306000  -1.639000      4.613000  
1 1 1 18  6  6  o 6.181000 2.111000  0.6836000      4.222000  
1 1 1 18  6  7  o 9.598000 2.621000  -4.468000      5.242000  
1 1 1 18  7  0  o 6.735000 3.159000  ?              ?         
1 1 1 18  7  2  o 5.065000 2.499000  ?              ?         
1 1 1 18  7  3  o 14.04000 2.682000  3.445000       5.363000  
1 1 1 18  7  4  o 11.81000 2.753000  2.898000       5.506000  
1 1 1 18  7  5  o 6.555000 2.193000  0.7392000E-01  4.387000  
1 1 1 18  7  6  o 7.821000 2.442000  -3.031000      4.885000  
1 1 1 18  7  7  o 5.656000 1.977000  -1.202000      3.953000  
1 1 1 19  0  0  o 5.146000 3.309000  0.000000       0.000000  
1 1 1 19  0  1  o 2.894000 2.114000  0.000000       0.000000  
1 1 1 19  0  2  o 16.63000 2.571000  0.000000       0.000000  
1 1 1 19  0  3  o 3.270000 2.346000  0.000000       0.000000  
1 1 1 19  0  4  o 12.24000 3.650000  0.000000       0.000000  
1 1 1 19  0  5  f 4.420000 3.003000  0.000000       0.000000  
1 1 1 19  0  6  o 6.040000 3.676000  0.000000       0.000000  
1 1 1 19  0  7  o 5.393000 3.454000  0.000000       0.000000  
1 1 1 19  0  8  f 5.098000 3.405000  0.000000       0.000000  
1 1 1 19  1  0  o 5.086000 1.743000  0.3126000      3.486000  
1 1 1 19  1  1  o 9.739000 2.250000  -3.425000      4.501000  
1 1 1 19  1  2  o 5.861000 1.905000  2.329000       3.810000  
1 1 1 19  1  3  o 5.310000 1.792000  1.883000       3.584000  
1 1 1 19  1  4  f 8.095000 2.090000  5.921000       4.181000  
1 1 1 19  1  5  o 10.93000 2.317000  -3.325000      4.634000  
1 1 1 19  1  6  o 6.716000 2.026000  4.789000       4.052000  
1 1 1 19  1  7  o 6.663000 2.051000  -3.222000      4.102000  
1 1 1 19  2  0  o 16.84000 1.681000  -0.3594000     3.362000  
1 1 1 19  2  1  o 24.57000 1.142000  2.338000       2.285000  
1 1 1 19  2  2  o 12.20000 2.226000  2.816000       4.452000  
1 1 1 19  2  3  o 18.14000 1.653000  -3.252000      3.306000  
1 1 1 19  2  4  o 10.61000 2.360000  2.237000       4.720000  
1 1 1 19  2  5  o 9.344000 2.402000  -1.439000      4.804000  
1 1 1 19  2  6  o 7.100000 2.102000  5.173000       4.204000  
1 1 1 19  2  7  f 6.802000 2.157000  1.614000       4.314000  
1 1 1 19  3  0  o 6.277000 1.991000  -1.430000      3.981000  
1 1 1 19  3  1  f 9.079000 2.022000  7.394000       4.043000  
1 1 1 19  3  2  o 16.51000 1.755000  1.195000       3.510000  
1 1 1 19  3  3  o 5.356000 1.816000  0.3209000      3.632000  
1 1 1 19  3  4  o 5.275000 1.800000  -0.3942000     3.599000  
1 1 1 19  3  5  o 8.014000 2.275000  2.940000       4.551000  
1 1 1 19  3  6  o 6.381000 2.111000  -0.7501000E-01 4.222000  
1 1 1 19  3  7  o 4.708000 1.689000  0.4990000      3.377000  
1 1 1 19  4  0  o 5.991000 1.927000  -1.288000      3.854000  
1 1 1 19  4  1  o 12.87000 2.092000  6.843000       4.184000  
1 1 1 19  4  2  o 29.51000 1.017000  -0.3988000     2.034000  
1 1 1 19  4  3  o 11.86000 2.194000  -3.980000      4.389000  
1 1 1 19  4  4  f 7.918000 2.257000  1.693000       4.513000  
1 1 1 19  4  5  o 7.562000 2.426000  2.079000       4.853000  
1 1 1 19  4  6  o 5.913000 2.042000  -1.268000      4.084000  
1 1 1 19  5  0  o 6.681000 2.017000  -2.310000      4.034000  
1 1 1 19  5  1  f 13.48000 2.039000  -4.626000      4.077000  
1 1 1 19  5  2  o 8.475000 2.191000  -3.003000      4.383000  
1 1 1 19  5  3  o 7.496000 2.381000  1.774000       4.762000  
1 1 1 19  5  4  o 10.52000 2.742000  3.526000       5.484000  
1 1 1 19  5  5  o 5.459000 1.924000  -1.435000      3.848000  
1 1 1 19  6  4  o 5.299000 2.639000  ?              ?         
1 1 1 20  0  0  o 6.437000 3.747000  0.000000       0.000000  
1 1 1 20  0  1  o 4.565000 3.083000  0.000000       0.000000  
1 1 1 20  0  2  o 3.937000 2.765000  0.000000       0.000000  
1 1 1 20  0  3  o 4.832000 3.226000  0.000000       0.000000  
1 1 1 20  1  0  o 6.470000 2.011000  -3.468000      4.023000  
1 1 1 20  1  1  o 10.99000 2.005000  7.801000       4.011000  
1 1 1 20  1  2  f 6.265000 1.995000  -3.213000      3.990000  
1 1 1 20  1  3  o 4.145000 1.480000  0.4040000      2.960000  
1 1 1 20  2  0  o 5.475000 1.826000  1.590000       3.652000  
1 1 1 20  2  1  f 7.449000 2.179000  -1.523000      4.357000  
1 1 1 20  2  2  o 5.938000 1.958000  -1.071000      3.917000  
1 1 1 20  2  3  o 4.892000 1.707000  -0.3249000     3.414000  
1 1 1 20  3  0  o 7.581000 2.227000  0.5427000      4.454000  
1 1 1 20  3  1  o 5.356000 1.810000  -1.612000      3.621000  
1 1 1 20  3  2  o 5.615000 1.883000  1.468000       3.767000  
1 1 1 20  4  0  o 4.667000 1.668000  0.4540000      3.336000  
1 1 1 20  4  1  o 6.742000 2.119000  0.5065000      4.239000  
# 
#END OF REFLECTIONS
