data_r5lnysf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-11-29 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5lny 
_cell.length_a      67.7800 
_cell.length_b      90.9360 
_cell.length_c      97.9590 
_cell.angle_alpha   90.0000 
_cell.angle_beta    90.0000 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   . 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.878 
_diffrn_reflns.pdbx_d_res_low    45.455 
_diffrn_reflns.limit_h_max       35 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       48 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       51 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            24660 
_diffrn_reflns.pdbx_number_obs   24660 
# 
_entry.id   5lny 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5lny 
_symmetry.space_group_name_H-M   "I 2 2 2" 
_symmetry.Int_Tables_number      23 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"               
2 "-X,  -Y,  Z"             
3 "X,  -Y,  -Z"             
4 "-X,  Y,  -Z"             
5 "X+1/2,  Y+1/2,  Z+1/2"   
6 "-X+1/2,  -Y+1/2,  Z+1/2" 
7 "X+1/2,  -Y+1/2,  -Z+1/2" 
8 "-X+1/2,  Y+1/2,  -Z+1/2" 
# 
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 0  0  4  o 215.7000 5.522000  0.000000       0.000000  
1 1 1 0  0  6  o 11.81000 0.8447000 0.000000       0.000000  
1 1 1 0  0  8  o 119.9000 3.065000  0.000000       0.000000  
1 1 1 0  0  10 o 160.6000 4.095000  0.000000       0.000000  
1 1 1 0  0  12 o 102.3000 2.629000  0.000000       0.000000  
1 1 1 0  0  14 o 71.04000 1.863000  0.000000       0.000000  
1 1 1 0  0  16 o 21.47000 1.140000  0.000000       0.000000  
1 1 1 0  0  18 o 22.71000 1.186000  0.000000       0.000000  
1 1 1 0  0  22 o 72.86000 1.987000  0.000000       0.000000  
1 1 1 0  0  24 o 94.68000 2.545000  0.000000       0.000000  
1 1 1 0  0  28 o 86.97000 3.296000  0.000000       0.000000  
1 1 1 0  0  30 o 65.41000 2.126000  0.000000       0.000000  
1 1 1 0  0  32 o 91.65000 4.785000  0.000000       0.000000  
1 1 1 0  0  36 o 160.3000 4.176000  0.000000       0.000000  
1 1 1 0  0  38 o 88.41000 2.555000  0.000000       0.000000  
1 1 1 0  0  40 o 12.80000 3.540000  0.000000       0.000000  
1 1 1 0  0  42 o 32.36000 2.114000  0.000000       0.000000  
1 1 1 0  0  44 o 61.73000 2.721000  0.000000       0.000000  
1 1 1 0  0  46 o 38.56000 2.131000  0.000000       0.000000  
1 1 1 0  0  48 o 15.78000 3.833000  0.000000       0.000000  
1 1 1 0  1  3  o 82.06000 2.104000  0.000000       0.000000  
1 1 1 0  1  5  o 33.04000 0.7568000 0.000000       0.000000  
1 1 1 0  1  7  o 79.32000 1.666000  0.000000       0.000000  
1 1 1 0  1  9  o 66.21000 1.216000  0.000000       0.000000  
1 1 1 0  1  11 o 60.99000 1.137000  0.000000       0.000000  
1 1 1 0  1  13 o 20.26000 0.7710000 0.000000       0.000000  
1 1 1 0  1  15 o 100.7000 1.841000  0.000000       0.000000  
1 1 1 0  1  17 o 6.215000 2.069000  0.000000       0.000000  
1 1 1 0  1  19 f 43.65000 1.289000  0.000000       0.000000  
1 1 1 0  1  21 o 30.11000 0.9189000 0.000000       0.000000  
1 1 1 0  1  23 o 35.60000 1.023000  0.000000       0.000000  
1 1 1 0  1  25 o 70.63000 1.699000  0.000000       0.000000  
1 1 1 0  1  27 o 35.22000 1.587000  0.000000       0.000000  
1 1 1 0  1  31 o 33.39000 1.777000  0.000000       0.000000  
1 1 1 0  1  33 o 16.95000 2.905000  0.000000       0.000000  
1 1 1 0  1  35 o 84.33000 2.132000  0.000000       0.000000  
1 1 1 0  1  37 o 39.25000 1.364000  0.000000       0.000000  
1 1 1 0  1  39 o 6.546000 2.761000  0.000000       0.000000  
1 1 1 0  1  41 o 9.126000 2.993000  0.000000       0.000000  
1 1 1 0  1  43 o 6.155000 2.877000  0.000000       0.000000  
1 1 1 0  1  45 o 20.34000 2.876000  0.000000       0.000000  
1 1 1 0  1  47 o 21.92000 2.233000  0.000000       0.000000  
1 1 1 0  1  49 o 16.32000 2.585000  0.000000       0.000000  
1 1 1 0  1  51 o 11.89000 3.645000  0.000000       0.000000  
1 1 1 0  2  0  o 227.7000 5.806000  0.000000       0.000000  
1 1 1 0  2  2  o 27.28000 0.5529000 0.000000       0.000000  
1 1 1 0  2  4  o 16.74000 1.022000  0.000000       0.000000  
1 1 1 0  2  6  o 85.42000 1.550000  0.000000       0.000000  
1 1 1 0  2  8  o 87.94000 1.599000  0.000000       0.000000  
1 1 1 0  2  10 o 93.31000 1.697000  0.000000       0.000000  
1 1 1 0  2  12 o 82.79000 1.522000  0.000000       0.000000  
1 1 1 0  2  14 o 94.78000 1.735000  0.000000       0.000000  
1 1 1 0  2  16 o 23.10000 0.8104000 0.000000       0.000000  
1 1 1 0  2  18 o 44.39000 1.575000  0.000000       0.000000  
1 1 1 0  2  20 o 71.63000 1.543000  0.000000       0.000000  
1 1 1 0  2  22 o 148.3000 2.700000  0.000000       0.000000  
1 1 1 0  2  24 o 63.62000 1.453000  0.000000       0.000000  
1 1 1 0  2  26 o 22.31000 1.898000  0.000000       0.000000  
1 1 1 0  2  28 o 57.18000 2.200000  0.000000       0.000000  
1 1 1 0  2  30 o 18.09000 1.795000  0.000000       0.000000  
1 1 1 0  2  32 o 8.631000 2.923000  0.000000       0.000000  
1 1 1 0  2  34 o 79.69000 2.138000  0.000000       0.000000  
1 1 1 0  2  36 o 59.73000 1.867000  0.000000       0.000000  
1 1 1 0  2  38 o 76.88000 1.688000  0.000000       0.000000  
1 1 1 0  2  40 o 14.54000 2.395000  0.000000       0.000000  
1 1 1 0  2  42 o 48.90000 1.522000  0.000000       0.000000  
1 1 1 0  2  44 o 11.33000 3.912000  0.000000       0.000000  
1 1 1 0  2  46 o 7.090000 3.029000  0.000000       0.000000  
1 1 1 0  2  48 o 35.58000 1.592000  0.000000       0.000000  
1 1 1 0  2  50 o 21.96000 2.082000  0.000000       0.000000  
1 1 1 0  3  1  o 55.65000 1.031000  0.000000       0.000000  
1 1 1 0  3  3  o 206.8000 5.275000  0.000000       0.000000  
1 1 1 0  3  5  o 28.81000 0.6151000 0.000000       0.000000  
1 1 1 0  3  7  f 59.78000 1.109000  0.000000       0.000000  
1 1 1 0  3  9  o 3.182000 1.152000  0.000000       0.000000  
1 1 1 0  3  11 o 28.12000 0.6691000 0.000000       0.000000  
1 1 1 0  3  13 o 82.29000 1.518000  0.000000       0.000000  
1 1 1 0  3  15 o 23.94000 0.7730000 0.000000       0.000000  
1 1 1 0  3  17 o 21.97000 0.9162000 0.000000       0.000000  
1 1 1 0  3  19 o 38.58000 1.169000  0.000000       0.000000  
1 1 1 0  3  21 o 10.83000 1.607000  0.000000       0.000000  
1 1 1 0  3  23 o 10.18000 1.934000  0.000000       0.000000  
1 1 1 0  3  25 o 35.42000 1.345000  0.000000       0.000000  
1 1 1 0  3  27 o 34.50000 1.646000  0.000000       0.000000  
1 1 1 0  3  29 o 105.4000 2.000000  0.000000       0.000000  
1 1 1 0  3  31 o 13.29000 2.620000  0.000000       0.000000  
1 1 1 0  3  33 o 7.773000 2.943000  0.000000       0.000000  
1 1 1 0  3  35 o 97.50000 2.199000  0.000000       0.000000  
1 1 1 0  3  37 o 33.62000 2.058000  0.000000       0.000000  
1 1 1 0  3  39 o 37.16000 1.378000  0.000000       0.000000  
1 1 1 0  3  41 o 31.97000 1.440000  0.000000       0.000000  
1 1 1 0  3  43 o 32.98000 1.711000  0.000000       0.000000  
1 1 1 0  3  45 o 7.469000 3.194000  0.000000       0.000000  
1 1 1 0  3  47 o 7.156000 2.986000  0.000000       0.000000  
1 1 1 0  3  49 o 13.51000 4.452000  0.000000       0.000000  
1 1 1 0  3  51 f 48.30000 2.064000  0.000000       0.000000  
1 1 1 0  4  0  o 53.89000 1.437000  0.000000       0.000000  
1 1 1 0  4  2  o 20.20000 0.6447000 0.000000       0.000000  
1 1 1 0  4  4  o 5.151000 1.401000  0.000000       0.000000  
1 1 1 0  4  6  o 10.78000 0.5022000 0.000000       0.000000  
1 1 1 0  4  8  o 20.68000 0.5569000 0.000000       0.000000  
1 1 1 0  4  10 o 20.88000 0.5687000 0.000000       0.000000  
1 1 1 0  4  12 o 5.356000 1.233000  0.000000       0.000000  
1 1 1 0  4  14 o 55.05000 1.069000  0.000000       0.000000  
1 1 1 0  4  16 o 15.71000 0.7749000 0.000000       0.000000  
1 1 1 0  4  18 o 20.51000 0.8008000 0.000000       0.000000  
1 1 1 0  4  20 o 201.2000 4.210000  0.000000       0.000000  
1 1 1 0  4  22 o 87.87000 1.875000  0.000000       0.000000  
1 1 1 0  4  24 o 181.4000 3.808000  0.000000       0.000000  
1 1 1 0  4  26 o 79.84000 1.983000  0.000000       0.000000  
1 1 1 0  4  28 f 31.39000 2.234000  0.000000       0.000000  
1 1 1 0  4  30 o 22.03000 1.400000  0.000000       0.000000  
1 1 1 0  4  32 o 14.25000 2.320000  0.000000       0.000000  
1 1 1 0  4  34 o 13.06000 2.353000  0.000000       0.000000  
1 1 1 0  4  36 f 28.68000 1.396000  0.000000       0.000000  
1 1 1 0  4  38 o 15.53000 3.719000  0.000000       0.000000  
1 1 1 0  4  40 o 8.846000 3.684000  0.000000       0.000000  
1 1 1 0  4  42 o 20.53000 1.767000  0.000000       0.000000  
1 1 1 0  4  44 o 44.47000 1.921000  0.000000       0.000000  
1 1 1 0  4  46 o 11.33000 3.172000  0.000000       0.000000  
1 1 1 0  4  48 o 23.09000 1.923000  0.000000       0.000000  
1 1 1 0  4  50 o 10.16000 3.208000  0.000000       0.000000  
1 1 1 0  5  1  o 6.927000 1.751000  0.000000       0.000000  
1 1 1 0  5  3  o 27.16000 0.6812000 0.000000       0.000000  
1 1 1 0  5  5  o 14.39000 0.7555000 0.000000       0.000000  
1 1 1 0  5  7  o 96.41000 1.752000  0.000000       0.000000  
1 1 1 0  5  9  o 45.39000 0.9232000 0.000000       0.000000  
1 1 1 0  5  11 o 83.22000 1.783000  0.000000       0.000000  
1 1 1 0  5  13 o 57.09000 1.097000  0.000000       0.000000  
1 1 1 0  5  15 o 37.03000 0.8242000 0.000000       0.000000  
1 1 1 0  5  17 o 24.79000 0.7351000 0.000000       0.000000  
1 1 1 0  5  19 o 37.61000 0.9184000 0.000000       0.000000  
1 1 1 0  5  23 o 22.08000 1.088000  0.000000       0.000000  
1 1 1 0  5  25 o 62.63000 1.421000  0.000000       0.000000  
1 1 1 0  5  27 o 31.28000 1.362000  0.000000       0.000000  
1 1 1 0  5  29 o 33.32000 1.173000  0.000000       0.000000  
1 1 1 0  5  31 o 13.28000 1.961000  0.000000       0.000000  
1 1 1 0  5  33 o 87.75000 1.761000  0.000000       0.000000  
1 1 1 0  5  35 o 78.71000 1.642000  0.000000       0.000000  
1 1 1 0  5  37 o 37.87000 1.405000  0.000000       0.000000  
1 1 1 0  5  39 o 7.889000 2.715000  0.000000       0.000000  
1 1 1 0  5  41 o 15.24000 4.063000  0.000000       0.000000  
1 1 1 0  5  43 o 5.777000 2.695000  0.000000       0.000000  
1 1 1 0  5  45 o 10.45000 3.293000  0.000000       0.000000  
1 1 1 0  5  47 o 19.44000 1.823000  0.000000       0.000000  
1 1 1 0  5  49 o 14.67000 2.627000  0.000000       0.000000  
1 1 1 0  5  51 o 23.81000 2.499000  0.000000       0.000000  
1 1 1 0  6  0  o 177.4000 4.523000  0.000000       0.000000  
1 1 1 0  6  2  o 126.7000 2.290000  0.000000       0.000000  
1 1 1 0  6  4  o 74.19000 1.368000  0.000000       0.000000  
1 1 1 0  6  6  o 112.9000 2.046000  0.000000       0.000000  
1 1 1 0  6  8  o 94.13000 1.716000  0.000000       0.000000  
1 1 1 0  6  10 o 100.6000 1.840000  0.000000       0.000000  
1 1 1 0  6  12 o 12.91000 0.6146000 0.000000       0.000000  
1 1 1 0  6  14 f 55.26000 1.084000  0.000000       0.000000  
1 1 1 0  6  16 o 60.39000 1.763000  0.000000       0.000000  
1 1 1 0  6  18 o 6.436000 1.429000  0.000000       0.000000  
1 1 1 0  6  20 o 33.01000 0.9028000 0.000000       0.000000  
1 1 1 0  6  22 f 13.99000 1.028000  0.000000       0.000000  
1 1 1 0  6  24 o 78.83000 2.122000  0.000000       0.000000  
1 1 1 0  6  26 o 79.36000 2.087000  0.000000       0.000000  
1 1 1 0  6  28 o 116.7000 2.197000  0.000000       0.000000  
1 1 1 0  6  30 o 9.610000 2.052000  0.000000       0.000000  
1 1 1 0  6  32 o 39.58000 1.794000  0.000000       0.000000  
1 1 1 0  6  34 o 6.292000 2.440000  0.000000       0.000000  
1 1 1 0  6  36 o 16.94000 1.610000  0.000000       0.000000  
1 1 1 0  6  38 o 36.35000 1.386000  0.000000       0.000000  
1 1 1 0  6  40 o 12.33000 2.307000  0.000000       0.000000  
1 1 1 0  6  42 f 9.477000 4.154000  0.000000       0.000000  
1 1 1 0  6  44 o 9.820000 4.547000  0.000000       0.000000  
1 1 1 0  6  46 o 11.44000 3.061000  0.000000       0.000000  
1 1 1 0  6  48 o 30.95000 1.588000  0.000000       0.000000  
1 1 1 0  6  50 o 7.774000 3.189000  0.000000       0.000000  
1 1 1 0  7  1  o 197.8000 3.565000  0.000000       0.000000  
1 1 1 0  7  3  o 143.3000 2.590000  0.000000       0.000000  
1 1 1 0  7  5  o 114.5000 2.082000  0.000000       0.000000  
1 1 1 0  7  7  o 94.42000 1.725000  0.000000       0.000000  
1 1 1 0  7  9  o 36.29000 0.7979000 0.000000       0.000000  
1 1 1 0  7  11 o 33.50000 1.038000  0.000000       0.000000  
1 1 1 0  7  13 o 63.10000 1.213000  0.000000       0.000000  
1 1 1 0  7  15 o 55.84000 1.232000  0.000000       0.000000  
1 1 1 0  7  17 o 29.25000 0.7878000 0.000000       0.000000  
1 1 1 0  7  19 f 72.31000 1.587000  0.000000       0.000000  
1 1 1 0  7  21 o 184.8000 3.352000  0.000000       0.000000  
1 1 1 0  7  23 o 111.9000 2.082000  0.000000       0.000000  
1 1 1 0  7  25 o 69.91000 1.493000  0.000000       0.000000  
1 1 1 0  7  27 o 27.28000 1.253000  0.000000       0.000000  
1 1 1 0  7  29 o 47.18000 1.211000  0.000000       0.000000  
1 1 1 0  7  31 o 61.68000 1.715000  0.000000       0.000000  
1 1 1 0  7  33 o 26.49000 1.155000  0.000000       0.000000  
1 1 1 0  7  35 o 45.21000 1.249000  0.000000       0.000000  
1 1 1 0  7  37 o 28.13000 1.208000  0.000000       0.000000  
1 1 1 0  7  39 o 5.535000 2.298000  0.000000       0.000000  
1 1 1 0  7  41 o 5.813000 2.393000  0.000000       0.000000  
1 1 1 0  7  43 f 70.64000 3.187000  0.000000       0.000000  
1 1 1 0  7  45 o 10.71000 4.638000  0.000000       0.000000  
1 1 1 0  7  47 o 20.63000 7.998000  0.000000       0.000000  
1 1 1 0  7  49 o 8.390000 3.109000  0.000000       0.000000  
1 1 1 0  7  51 o 12.37000 5.529000  0.000000       0.000000  
1 1 1 0  8  0  o 58.27000 1.598000  0.000000       0.000000  
1 1 1 0  8  2  o 183.2000 3.303000  0.000000       0.000000  
1 1 1 0  8  4  f 47.52000 1.146000  0.000000       0.000000  
1 1 1 0  8  6  o 126.9000 2.302000  0.000000       0.000000  
1 1 1 0  8  8  o 113.8000 2.071000  0.000000       0.000000  
1 1 1 0  8  10 o 53.44000 1.063000  0.000000       0.000000  
1 1 1 0  8  12 o 84.32000 1.564000  0.000000       0.000000  
1 1 1 0  8  14 o 61.90000 1.599000  0.000000       0.000000  
1 1 1 0  8  16 o 128.7000 2.717000  0.000000       0.000000  
1 1 1 0  8  18 o 67.11000 1.460000  0.000000       0.000000  
1 1 1 0  8  20 o 97.41000 1.804000  0.000000       0.000000  
1 1 1 0  8  22 o 64.26000 1.477000  0.000000       0.000000  
1 1 1 0  8  24 o 135.4000 2.505000  0.000000       0.000000  
1 1 1 0  8  26 o 168.4000 3.092000  0.000000       0.000000  
1 1 1 0  8  28 o 67.78000 1.800000  0.000000       0.000000  
1 1 1 0  8  30 o 49.92000 1.275000  0.000000       0.000000  
1 1 1 0  8  32 o 25.29000 1.197000  0.000000       0.000000  
1 1 1 0  8  34 o 24.55000 1.107000  0.000000       0.000000  
1 1 1 0  8  36 o 17.61000 1.284000  0.000000       0.000000  
1 1 1 0  8  38 o 48.41000 1.551000  0.000000       0.000000  
1 1 1 0  8  40 o 55.13000 1.540000  0.000000       0.000000  
1 1 1 0  8  42 o 6.076000 2.626000  0.000000       0.000000  
1 1 1 0  8  44 o 31.36000 1.726000  0.000000       0.000000  
1 1 1 0  8  46 o 12.08000 5.293000  0.000000       0.000000  
1 1 1 0  8  48 o 18.01000 4.734000  0.000000       0.000000  
1 1 1 0  8  50 o 8.367000 3.849000  0.000000       0.000000  
1 1 1 0  9  1  o 169.8000 3.066000  0.000000       0.000000  
1 1 1 0  9  3  o 195.1000 3.520000  0.000000       0.000000  
1 1 1 0  9  5  o 131.2000 2.380000  0.000000       0.000000  
1 1 1 0  9  7  o 96.37000 1.777000  0.000000       0.000000  
1 1 1 0  9  9  o 64.37000 1.240000  0.000000       0.000000  
1 1 1 0  9  11 o 105.6000 2.224000  0.000000       0.000000  
1 1 1 0  9  13 o 40.40000 0.9175000 0.000000       0.000000  
1 1 1 0  9  15 o 16.46000 0.8466000 0.000000       0.000000  
1 1 1 0  9  17 o 11.54000 0.8802000 0.000000       0.000000  
1 1 1 0  9  19 o 70.87000 1.371000  0.000000       0.000000  
1 1 1 0  9  21 o 191.8000 3.484000  0.000000       0.000000  
1 1 1 0  9  23 f 33.22000 1.571000  0.000000       0.000000  
1 1 1 0  9  25 o 72.67000 2.825000  0.000000       0.000000  
1 1 1 0  9  27 o 22.99000 1.046000  0.000000       0.000000  
1 1 1 0  9  29 o 72.19000 1.486000  0.000000       0.000000  
1 1 1 0  9  31 f 11.93000 1.556000  0.000000       0.000000  
1 1 1 0  9  33 o 41.60000 1.133000  0.000000       0.000000  
1 1 1 0  9  35 o 16.12000 1.277000  0.000000       0.000000  
1 1 1 0  9  37 f 61.68000 1.488000  0.000000       0.000000  
1 1 1 0  9  39 o 6.059000 2.290000  0.000000       0.000000  
1 1 1 0  9  41 o 24.60000 1.378000  0.000000       0.000000  
1 1 1 0  9  43 o 27.27000 1.838000  0.000000       0.000000  
1 1 1 0  9  45 o 24.98000 1.640000  0.000000       0.000000  
1 1 1 0  9  47 o 5.870000 2.571000  0.000000       0.000000  
1 1 1 0  9  49 o 7.046000 3.363000  0.000000       0.000000  
1 1 1 0  10 0  o 167.7000 4.289000  0.000000       0.000000  
1 1 1 0  10 2  o 128.9000 2.341000  0.000000       0.000000  
1 1 1 0  10 4  o 45.55000 1.013000  0.000000       0.000000  
1 1 1 0  10 6  o 13.80000 1.755000  0.000000       0.000000  
1 1 1 0  10 8  o 5.643000 2.346000  0.000000       0.000000  
1 1 1 0  10 10 o 6.954000 2.167000  0.000000       0.000000  
1 1 1 0  10 12 o 35.70000 0.9478000 0.000000       0.000000  
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1 1 1 0  38 6  o 13.32000 6.061000  0.000000       0.000000  
1 1 1 0  38 8  o 19.44000 7.053000  0.000000       0.000000  
1 1 1 0  38 10 o 11.35000 4.868000  0.000000       0.000000  
1 1 1 0  38 12 o 10.80000 4.814000  0.000000       0.000000  
1 1 1 0  38 14 o 14.66000 6.316000  0.000000       0.000000  
1 1 1 0  38 16 o 15.56000 6.250000  0.000000       0.000000  
1 1 1 0  38 18 o 5.705000 2.817000  0.000000       0.000000  
1 1 1 0  38 20 o 13.29000 5.827000  0.000000       0.000000  
1 1 1 0  38 22 o 26.56000 5.838000  0.000000       0.000000  
1 1 1 0  38 24 o 21.96000 4.386000  0.000000       0.000000  
1 1 1 0  38 26 o 12.80000 5.023000  0.000000       0.000000  
1 1 1 0  38 28 f 10.94000 4.503000  0.000000       0.000000  
1 1 1 0  38 30 o 6.127000 3.074000  0.000000       0.000000  
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1 1 1 0  39 7  o 7.918000 3.860000  0.000000       0.000000  
1 1 1 0  39 9  o 9.407000 4.600000  0.000000       0.000000  
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1 1 1 0  39 15 o 5.303000 2.658000  0.000000       0.000000  
1 1 1 0  39 17 o 29.99000 6.147000  0.000000       0.000000  
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1 1 1 0  39 21 o 13.86000 5.151000  0.000000       0.000000  
1 1 1 0  39 23 o 11.83000 4.808000  0.000000       0.000000  
1 1 1 0  39 25 o 13.01000 5.488000  0.000000       0.000000  
1 1 1 0  39 27 o 6.836000 3.304000  0.000000       0.000000  
1 1 1 0  39 29 o 24.36000 2.734000  0.000000       0.000000  
1 1 1 0  40 0  f 19.50000 8.926000  0.000000       0.000000  
1 1 1 0  40 6  o 31.92000 5.445000  0.000000       0.000000  
1 1 1 0  40 8  o 56.19000 2.530000  0.000000       0.000000  
1 1 1 0  40 12 o 4.929000 2.471000  0.000000       0.000000  
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1 1 1 0  40 16 o 16.04000 6.415000  0.000000       0.000000  
1 1 1 0  40 18 o 11.29000 4.641000  0.000000       0.000000  
1 1 1 0  40 20 o 20.02000 4.171000  0.000000       0.000000  
1 1 1 0  40 22 o 14.34000 5.729000  0.000000       0.000000  
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1 1 1 0  40 26 f 7.568000 3.568000  0.000000       0.000000  
1 1 1 0  40 28 o 32.47000 1.940000  0.000000       0.000000  
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1 1 1 0  41 11 o 65.16000 3.183000  0.000000       0.000000  
1 1 1 0  41 13 o 49.39000 3.488000  0.000000       0.000000  
1 1 1 0  41 15 o 42.43000 3.867000  0.000000       0.000000  
1 1 1 0  41 17 o 14.06000 5.067000  0.000000       0.000000  
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1 1 1 0  41 25 o 10.63000 4.488000  0.000000       0.000000  
1 1 1 0  41 27 o 6.279000 3.008000  0.000000       0.000000  
1 1 1 0  42 0  o 17.31000 7.748000  0.000000       0.000000  
1 1 1 0  42 2  o 15.99000 7.107000  0.000000       0.000000  
1 1 1 0  42 4  o 14.68000 6.754000  0.000000       0.000000  
1 1 1 0  42 6  o 16.70000 7.186000  0.000000       0.000000  
1 1 1 0  42 8  o 15.69000 6.784000  0.000000       0.000000  
1 1 1 0  42 10 o 19.22000 7.043000  0.000000       0.000000  
1 1 1 0  42 12 o 12.16000 5.352000  0.000000       0.000000  
1 1 1 0  42 14 o 16.59000 5.919000  0.000000       0.000000  
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1 1 1 0  42 20 f 13.87000 5.600000  0.000000       0.000000  
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1 1 1 0  42 24 o 38.59000 1.702000  0.000000       0.000000  
1 1 1 0  43 1  o 15.38000 6.531000  0.000000       0.000000  
1 1 1 0  43 3  o 19.74000 8.062000  0.000000       0.000000  
1 1 1 0  43 5  o 31.88000 6.430000  0.000000       0.000000  
1 1 1 0  43 7  o 13.48000 5.848000  0.000000       0.000000  
1 1 1 0  43 9  o 17.33000 5.786000  0.000000       0.000000  
1 1 1 0  43 11 o 16.13000 6.372000  0.000000       0.000000  
1 1 1 0  43 13 o 17.51000 6.743000  0.000000       0.000000  
1 1 1 0  43 15 o 16.46000 6.450000  0.000000       0.000000  
1 1 1 0  43 17 o 22.99000 5.724000  0.000000       0.000000  
1 1 1 0  43 19 o 6.692000 3.282000  0.000000       0.000000  
1 1 1 0  43 21 o 5.765000 2.809000  0.000000       0.000000  
1 1 1 0  43 23 o 5.081000 2.496000  0.000000       0.000000  
1 1 1 0  44 0  o 18.20000 7.446000  0.000000       0.000000  
1 1 1 0  44 2  f 21.79000 5.890000  0.000000       0.000000  
1 1 1 0  44 4  o 46.64000 3.378000  0.000000       0.000000  
1 1 1 0  44 6  o 24.45000 5.358000  0.000000       0.000000  
1 1 1 0  44 8  o 11.10000 5.064000  0.000000       0.000000  
1 1 1 0  44 10 o 15.03000 6.280000  0.000000       0.000000  
1 1 1 0  44 12 o 15.35000 6.139000  0.000000       0.000000  
1 1 1 0  44 14 o 21.69000 7.716000  0.000000       0.000000  
1 1 1 0  44 16 o 14.28000 4.692000  0.000000       0.000000  
1 1 1 0  44 18 o 11.02000 5.137000  0.000000       0.000000  
1 1 1 0  44 20 o 32.88000 2.269000  0.000000       0.000000  
1 1 1 0  45 1  o 21.76000 6.671000  0.000000       0.000000  
1 1 1 0  45 3  o 16.33000 6.558000  0.000000       0.000000  
1 1 1 0  45 5  o 24.09000 6.589000  0.000000       0.000000  
1 1 1 0  45 7  o 18.21000 6.485000  0.000000       0.000000  
1 1 1 0  45 9  f 13.80000 5.984000  0.000000       0.000000  
1 1 1 0  45 11 f 9.673000 4.236000  0.000000       0.000000  
1 1 1 0  45 13 o 9.012000 4.112000  0.000000       0.000000  
1 1 1 0  45 15 o 16.65000 5.435000  0.000000       0.000000  
1 1 1 0  45 19 o 15.33000 4.774000  0.000000       0.000000  
1 1 1 0  46 0  o 37.90000 5.097000  0.000000       0.000000  
1 1 1 0  46 2  o 14.43000 5.579000  0.000000       0.000000  
1 1 1 0  46 4  o 10.50000 4.403000  0.000000       0.000000  
1 1 1 0  46 6  o 11.21000 4.536000  0.000000       0.000000  
1 1 1 0  46 8  o 8.046000 3.804000  0.000000       0.000000  
1 1 1 0  46 10 o 10.48000 4.525000  0.000000       0.000000  
1 1 1 0  46 12 o 9.666000 3.841000  0.000000       0.000000  
1 1 1 0  46 14 o 10.02000 4.534000  0.000000       0.000000  
1 1 1 0  46 16 o 19.42000 5.270000  0.000000       0.000000  
1 1 1 0  47 1  o 9.103000 4.488000  0.000000       0.000000  
1 1 1 0  47 3  o 7.895000 3.959000  0.000000       0.000000  
1 1 1 0  47 5  o 5.809000 2.912000  0.000000       0.000000  
1 1 1 0  47 7  o 14.60000 4.321000  0.000000       0.000000  
1 1 1 0  47 9  o 19.69000 4.143000  0.000000       0.000000  
1 1 1 0  47 11 o 7.242000 3.447000  0.000000       0.000000  
1 1 1 0  48 0  o 21.81000 4.783000  0.000000       0.000000  
1 1 1 0  48 2  o 8.358000 3.659000  0.000000       0.000000  
1 1 1 0  48 4  o 6.053000 2.940000  0.000000       0.000000  
1 1 1 1  0  3  o 111.1000 2.316000  0.000000       0.000000  
1 1 1 1  0  5  o 67.96000 1.235000  0.000000       0.000000  
1 1 1 1  0  7  f 147.3000 2.658000  0.000000       0.000000  
1 1 1 1  0  9  o 103.5000 1.875000  0.000000       0.000000  
1 1 1 1  0  11 o 15.63000 0.7754000 0.000000       0.000000  
1 1 1 1  0  13 o 34.10000 0.7902000 0.000000       0.000000  
1 1 1 1  0  15 o 94.19000 1.996000  0.000000       0.000000  
1 1 1 1  0  17 f 5.221000 2.073000  0.000000       0.000000  
1 1 1 1  0  19 o 6.156000 2.471000  0.000000       0.000000  
1 1 1 1  0  21 o 134.6000 2.454000  0.000000       0.000000  
1 1 1 1  0  23 o 42.27000 1.015000  0.000000       0.000000  
1 1 1 1  0  25 o 53.67000 1.257000  0.000000       0.000000  
1 1 1 1  0  27 o 40.66000 1.630000  0.000000       0.000000  
1 1 1 1  0  29 o 71.64000 2.156000  0.000000       0.000000  
1 1 1 1  0  31 o 43.07000 1.917000  0.000000       0.000000  
1 1 1 1  0  33 o 20.42000 2.291000  0.000000       0.000000  
1 1 1 1  0  35 o 85.84000 2.265000  0.000000       0.000000  
1 1 1 1  0  37 o 27.56000 1.438000  0.000000       0.000000  
1 1 1 1  0  39 f 8.766000 3.005000  0.000000       0.000000  
1 1 1 1  0  41 o 16.19000 2.188000  0.000000       0.000000  
1 1 1 1  0  43 o 27.83000 1.935000  0.000000       0.000000  
1 1 1 1  0  45 o 14.87000 3.459000  0.000000       0.000000  
1 1 1 1  0  47 o 16.67000 2.642000  0.000000       0.000000  
1 1 1 1  0  49 o 15.52000 3.182000  0.000000       0.000000  
1 1 1 1  0  51 o 16.93000 4.174000  0.000000       0.000000  
1 1 1 1  1  2  f 128.4000 1.892000  2.849000       3.784000  
1 1 1 1  1  4  o 34.19000 0.5464000 1.164000       1.093000  
1 1 1 1  1  6  o 83.78000 1.163000  2.657000       2.325000  
1 1 1 1  1  8  o 16.34000 0.4325000 -0.2333000     0.8649000 
1 1 1 1  1  10 o 122.3000 1.564000  3.993000       3.128000  
1 1 1 1  1  12 o 52.75000 0.7165000 -0.4761000E-01 1.433000  
1 1 1 1  1  14 o 106.7000 1.372000  -2.686000      2.744000  
1 1 1 1  1  16 o 23.54000 0.6106000 -0.4766000     1.221000  
1 1 1 1  1  18 o 28.63000 0.7106000 -0.2556000     1.421000  
1 1 1 1  1  20 o 80.20000 1.227000  -1.163000      2.455000  
1 1 1 1  1  22 o 114.2000 1.485000  1.285000       2.969000  
1 1 1 1  1  24 o 42.83000 0.7463000 -1.271000      1.493000  
1 1 1 1  1  26 o 22.70000 1.272000  -1.149000      2.545000  
1 1 1 1  1  28 o 63.03000 1.486000  -0.4474000     2.971000  
1 1 1 1  1  30 o 59.86000 1.010000  2.865000       2.020000  
1 1 1 1  1  32 o 32.49000 4.412000  -8.584000      8.823000  
1 1 1 1  1  34 f 108.3000 1.500000  6.013000       2.999000  
1 1 1 1  1  36 o 54.17000 1.159000  -3.191000      2.318000  
1 1 1 1  1  38 o 8.729000 2.098000  0.8265000      4.196000  
1 1 1 1  1  40 o 25.73000 1.052000  -0.1555000     2.104000  
1 1 1 1  1  42 o 38.28000 1.039000  -0.7436000     2.078000  
1 1 1 1  1  44 o 46.61000 1.687000  8.099000       3.373000  
1 1 1 1  1  46 o 16.13000 1.868000  1.359000       3.736000  
1 1 1 1  1  48 o 8.752000 2.372000  0.9983000      4.743000  
1 1 1 1  1  50 o 13.66000 2.558000  -8.067000      5.116000  
1 1 1 1  2  1  o 85.64000 1.095000  -0.9728000     2.191000  
1 1 1 1  2  3  o 101.7000 1.406000  2.391000       2.811000  
1 1 1 1  2  5  f 82.09000 1.217000  2.308000       2.433000  
1 1 1 1  2  7  o 122.1000 1.801000  0.6972000      3.602000  
1 1 1 1  2  9  o 114.1000 1.458000  -2.209000      2.917000  
1 1 1 1  2  11 o 81.07000 1.047000  -1.945000      2.095000  
1 1 1 1  2  13 o 41.32000 0.6041000 -0.2479000     1.208000  
1 1 1 1  2  15 o 20.16000 0.5690000 0.2067000      1.138000  
1 1 1 1  2  17 f 34.50000 0.5988000 -0.4744000     1.198000  
1 1 1 1  2  19 o 38.55000 0.7337000 -1.820000      1.467000  
1 1 1 1  2  21 o 91.82000 1.204000  -1.576000      2.409000  
1 1 1 1  2  23 o 117.5000 1.643000  -0.6066000     3.285000  
1 1 1 1  2  25 o 53.57000 1.021000  0.9220000      2.043000  
1 1 1 1  2  27 o 72.55000 1.451000  -1.535000      2.903000  
1 1 1 1  2  29 o 25.65000 1.124000  -0.4772000     2.248000  
1 1 1 1  2  31 o 43.31000 1.088000  -1.264000      2.176000  
1 1 1 1  2  33 o 57.39000 1.188000  -0.7496000     2.377000  
1 1 1 1  2  35 o 11.79000 2.031000  1.596000       4.063000  
1 1 1 1  2  37 o 27.89000 1.295000  1.437000       2.590000  
1 1 1 1  2  39 o 31.23000 1.178000  -1.119000      2.355000  
1 1 1 1  2  41 o 25.12000 1.125000  1.259000       2.251000  
1 1 1 1  2  43 o 29.90000 1.321000  -0.9735000     2.642000  
1 1 1 1  2  45 o 8.762000 2.465000  -0.4829000     4.929000  
1 1 1 1  2  47 o 22.01000 1.398000  -0.9037000     2.796000  
1 1 1 1  2  49 f 9.721000 2.643000  -2.379000      5.286000  
1 1 1 1  2  51 o 27.64000 1.754000  4.170000       3.508000  
1 1 1 1  3  0  o 105.2000 1.901000  0.000000       0.000000  
1 1 1 1  3  2  o 102.6000 1.317000  -2.967000      2.634000  
1 1 1 1  3  4  o 108.9000 1.501000  -2.405000      3.002000  
1 1 1 1  3  6  o 83.52000 1.164000  -0.1770000E-02 2.328000  
1 1 1 1  3  8  o 25.73000 0.5143000 0.8175000      1.029000  
1 1 1 1  3  10 o 85.54000 1.103000  -2.685000      2.207000  
1 1 1 1  3  12 o 45.68000 0.6410000 1.114000       1.282000  
1 1 1 1  3  14 o 44.67000 0.6369000 1.186000       1.274000  
1 1 1 1  3  16 o 5.850000 1.247000  0.8487000E-01  2.495000  
1 1 1 1  3  18 o 46.86000 0.8219000 -1.762000      1.644000  
1 1 1 1  3  20 o 97.54000 1.481000  -0.9362000     2.962000  
1 1 1 1  3  22 o 96.91000 1.471000  -6.352000      2.941000  
1 1 1 1  3  24 o 92.34000 1.586000  -6.176000      3.172000  
1 1 1 1  3  26 o 108.5000 1.877000  3.367000       3.755000  
1 1 1 1  3  28 o 133.9000 1.949000  -2.752000      3.897000  
1 1 1 1  3  30 o 32.28000 0.8782000 3.290000       1.756000  
1 1 1 1  3  32 o 55.16000 1.061000  0.6920000      2.122000  
1 1 1 1  3  34 f 87.73000 1.520000  -0.1657000     3.041000  
1 1 1 1  3  36 o 53.60000 1.266000  0.5893000      2.533000  
1 1 1 1  3  38 f 15.29000 1.517000  0.4695000      3.034000  
1 1 1 1  3  40 o 33.04000 1.206000  1.761000       2.412000  
1 1 1 1  3  42 o 49.34000 1.046000  3.063000       2.091000  
1 1 1 1  3  44 o 21.88000 1.880000  0.8489000      3.759000  
1 1 1 1  3  46 o 10.51000 2.323000  -0.8782000     4.646000  
1 1 1 1  3  48 o 21.81000 1.418000  1.873000       2.836000  
1 1 1 1  3  50 o 12.83000 2.271000  2.486000       4.541000  
1 1 1 1  4  1  o 27.73000 0.4598000 -1.211000      0.9195000 
1 1 1 1  4  3  o 36.11000 0.5221000 0.9882000      1.044000  
1 1 1 1  4  5  o 76.54000 0.9880000 -1.522000      1.976000  
1 1 1 1  4  7  o 81.92000 1.061000  -0.8928000     2.122000  
1 1 1 1  4  9  o 56.98000 0.8220000 -1.530000      1.644000  
1 1 1 1  4  11 o 85.51000 1.110000  2.012000       2.220000  
1 1 1 1  4  13 o 60.99000 0.8195000 -0.1332000     1.639000  
1 1 1 1  4  15 o 10.20000 0.7293000 0.7690000      1.459000  
1 1 1 1  4  17 o 68.78000 0.9240000 -1.497000      1.848000  
1 1 1 1  4  19 o 66.07000 0.9583000 -0.4443000E-01 1.917000  
1 1 1 1  4  21 o 101.8000 1.526000  -2.080000      3.051000  
1 1 1 1  4  23 o 57.95000 1.160000  -2.522000      2.320000  
1 1 1 1  4  25 o 50.63000 1.278000  -0.4726000     2.556000  
1 1 1 1  4  27 o 92.45000 1.575000  -5.836000      3.151000  
1 1 1 1  4  29 o 58.32000 1.144000  -4.660000      2.287000  
1 1 1 1  4  31 o 42.07000 0.9245000 3.626000       1.849000  
1 1 1 1  4  33 o 48.39000 1.002000  0.4389000      2.003000  
1 1 1 1  4  35 o 30.63000 2.360000  -2.200000      4.719000  
1 1 1 1  4  37 o 12.14000 2.355000  -0.3731000E-01 4.709000  
1 1 1 1  4  39 o 33.72000 0.9882000 -1.481000      1.976000  
1 1 1 1  4  41 o 38.95000 1.308000  -1.327000      2.617000  
1 1 1 1  4  43 o 17.07000 2.646000  1.919000       5.291000  
1 1 1 1  4  45 o 12.36000 2.350000  0.5685000      4.700000  
1 1 1 1  4  47 o 7.479000 2.099000  -1.315000      4.197000  
1 1 1 1  4  49 o 8.476000 2.584000  2.520000       5.169000  
1 1 1 1  4  51 o 42.96000 1.382000  2.938000       2.764000  
1 1 1 1  5  0  o 196.0000 3.530000  0.000000       0.000000  
1 1 1 1  5  2  o 107.4000 1.376000  2.324000       2.752000  
1 1 1 1  5  4  o 123.7000 1.583000  -0.6953000     3.167000  
1 1 1 1  5  6  o 43.60000 0.6149000 -0.7984000     1.230000  
1 1 1 1  5  8  o 75.91000 1.021000  -0.8683000     2.042000  
1 1 1 1  5  10 o 54.75000 0.9968000 -2.905000      1.994000  
1 1 1 1  5  12 o 93.68000 1.253000  0.5365000      2.507000  
1 1 1 1  5  14 o 52.61000 0.7448000 0.1997000      1.490000  
1 1 1 1  5  16 o 22.01000 0.7052000 0.6966000      1.410000  
1 1 1 1  5  18 o 58.88000 0.9806000 0.2128000      1.961000  
1 1 1 1  5  20 o 105.5000 1.474000  4.825000       2.949000  
1 1 1 1  5  22 o 43.52000 0.7734000 2.248000       1.547000  
1 1 1 1  5  24 o 106.5000 1.698000  -2.738000      3.396000  
1 1 1 1  5  26 o 44.68000 1.165000  -2.291000      2.330000  
1 1 1 1  5  28 o 53.79000 1.057000  -0.7143000E-01 2.115000  
1 1 1 1  5  30 o 38.69000 0.8522000 -0.7644000     1.704000  
1 1 1 1  5  32 o 42.75000 0.9265000 2.184000       1.853000  
1 1 1 1  5  34 o 30.08000 0.9515000 2.077000       1.903000  
1 1 1 1  5  36 o 29.51000 0.8864000 -1.155000      1.773000  
1 1 1 1  5  38 o 32.02000 1.404000  -0.8549000     2.809000  
1 1 1 1  5  40 o 36.80000 0.9764000 0.1251000      1.953000  
1 1 1 1  5  42 o 15.95000 1.449000  1.011000       2.898000  
1 1 1 1  5  44 o 10.23000 5.086000  ?              ?         
1 1 1 1  5  46 o 19.35000 2.227000  -2.779000      4.453000  
1 1 1 1  5  48 o 21.98000 1.374000  0.2639000      2.748000  
1 1 1 1  5  50 o 12.70000 2.199000  -5.212000      4.397000  
1 1 1 1  6  1  o 89.75000 1.157000  -0.7713000     2.315000  
1 1 1 1  6  3  o 119.4000 1.528000  1.919000       3.056000  
1 1 1 1  6  5  o 36.98000 0.6330000 -0.3601000     1.266000  
1 1 1 1  6  7  o 125.3000 1.605000  -1.743000      3.211000  
1 1 1 1  6  9  o 87.99000 1.181000  1.222000       2.361000  
1 1 1 1  6  11 o 115.8000 1.488000  0.8626000      2.977000  
1 1 1 1  6  13 o 41.85000 0.6619000 1.521000       1.324000  
1 1 1 1  6  15 o 42.91000 0.7277000 -0.9250000     1.455000  
1 1 1 1  6  17 o 10.23000 0.6439000 -0.9447000     1.288000  
1 1 1 1  6  19 o 38.53000 0.7024000 -1.270000      1.405000  
1 1 1 1  6  21 o 106.4000 1.936000  7.352000       3.872000  
1 1 1 1  6  23 o 45.53000 0.8098000 -1.226000      1.620000  
1 1 1 1  6  25 f 69.47000 1.053000  -3.337000      2.107000  
1 1 1 1  6  27 o 55.96000 0.9860000 -1.370000      1.972000  
1 1 1 1  6  29 o 59.81000 1.118000  0.6225000      2.237000  
1 1 1 1  6  31 o 102.4000 1.392000  0.4367000      2.784000  
1 1 1 1  6  33 o 33.28000 0.8860000 -0.9244000     1.772000  
1 1 1 1  6  35 o 8.368000 1.758000  -0.5316000     3.516000  
1 1 1 1  6  37 o 12.73000 1.522000  -2.855000      3.044000  
1 1 1 1  6  39 o 20.73000 2.373000  -6.542000      4.746000  
1 1 1 1  6  41 o 9.873000 2.526000  1.747000       5.052000  
1 1 1 1  6  43 o 30.10000 1.291000  4.807000       2.582000  
1 1 1 1  6  45 o 31.35000 1.117000  2.023000       2.234000  
1 1 1 1  6  47 o 16.18000 4.827000  -10.05000      9.654000  
1 1 1 1  6  49 o 15.87000 4.046000  -5.284000      8.092000  
1 1 1 1  6  51 o 19.29000 3.426000  11.78000       6.852000  
1 1 1 1  7  0  o 86.84000 1.594000  0.000000       0.000000  
1 1 1 1  7  2  o 122.7000 1.571000  -0.6443000     3.141000  
1 1 1 1  7  4  o 111.0000 1.428000  2.641000       2.855000  
1 1 1 1  7  6  o 139.8000 1.796000  2.383000       3.593000  
1 1 1 1  7  8  o 71.40000 0.9442000 1.951000       1.888000  
1 1 1 1  7  10 o 123.9000 1.646000  -1.350000      3.292000  
1 1 1 1  7  12 o 80.33000 1.054000  0.8297000      2.107000  
1 1 1 1  7  14 o 40.94000 0.7508000 -0.7724000E-01 1.502000  
1 1 1 1  7  16 o 31.33000 0.8018000 ?              ?         
1 1 1 1  7  18 o 97.80000 1.563000  1.835000       3.126000  
1 1 1 1  7  20 o 80.27000 1.165000  0.8483000      2.331000  
1 1 1 1  7  22 o 58.33000 0.8917000 -2.133000      1.783000  
1 1 1 1  7  24 o 54.32000 1.338000  1.484000       2.676000  
1 1 1 1  7  26 o 107.3000 1.486000  -2.215000      2.972000  
1 1 1 1  7  28 o 48.56000 0.8946000 -0.5795000     1.789000  
1 1 1 1  7  30 o 87.66000 1.231000  -3.488000      2.463000  
1 1 1 1  7  32 o 17.59000 0.9283000 -2.565000      1.857000  
1 1 1 1  7  34 o 53.13000 0.9605000 -1.755000      1.921000  
1 1 1 1  7  36 o 10.76000 1.430000  -0.1392000     2.859000  
1 1 1 1  7  38 o 77.98000 1.294000  -0.4668000     2.589000  
1 1 1 1  7  40 o 22.24000 2.458000  -5.707000      4.916000  
1 1 1 1  7  42 o 32.51000 2.274000  -8.208000      4.548000  
1 1 1 1  7  44 o 6.289000 2.006000  0.2657000      4.012000  
1 1 1 1  7  46 o 19.20000 1.397000  0.7454000E-01  2.794000  
1 1 1 1  7  48 f 6.440000 1.913000  0.4920000      3.827000  
1 1 1 1  7  50 o 9.244000 2.855000  -0.4520000     5.710000  
1 1 1 1  8  1  o 120.5000 1.547000  -1.304000      3.094000  
1 1 1 1  8  3  o 80.41000 1.054000  -1.144000      2.108000  
1 1 1 1  8  5  o 99.15000 1.283000  0.8937000      2.566000  
1 1 1 1  8  7  o 143.9000 1.850000  1.603000       3.701000  
1 1 1 1  8  9  o 41.02000 0.6635000 -1.168000      1.327000  
1 1 1 1  8  11 o 93.03000 1.217000  1.481000       2.433000  
1 1 1 1  8  13 o 45.33000 0.8624000 -0.2448000E-01 1.725000  
1 1 1 1  8  15 o 55.28000 0.9809000 -4.134000      1.962000  
1 1 1 1  8  17 f 62.88000 0.9949000 -0.4806000     1.990000  
1 1 1 1  8  19 o 52.67000 0.8303000 -5.059000      1.661000  
1 1 1 1  8  21 o 74.01000 1.050000  0.4741000      2.100000  
1 1 1 1  8  23 o 35.97000 0.8312000 -0.3231000E-01 1.662000  
1 1 1 1  8  25 o 88.14000 1.403000  -4.031000      2.806000  
1 1 1 1  8  27 o 26.27000 0.7805000 -0.1455000     1.561000  
1 1 1 1  8  29 f 86.76000 1.205000  -1.100000      2.409000  
1 1 1 1  8  31 o 30.36000 0.8162000 0.8773000      1.632000  
1 1 1 1  8  33 o 17.50000 0.8479000 0.5252000      1.696000  
1 1 1 1  8  35 o 25.14000 0.8260000 -0.1643000     1.652000  
1 1 1 1  8  37 o 13.38000 1.160000  0.5083000      2.320000  
1 1 1 1  8  39 o 38.03000 0.9821000 2.319000       1.964000  
1 1 1 1  8  41 o 31.16000 1.955000  -0.8258000     3.909000  
1 1 1 1  8  43 o 52.33000 2.649000  -4.286000      5.297000  
1 1 1 1  8  45 o 35.29000 1.972000  -5.623000      3.945000  
1 1 1 1  8  47 o 15.44000 1.494000  -1.120000      2.989000  
1 1 1 1  8  49 o 19.34000 1.261000  -0.2458000     2.523000  
1 1 1 1  8  51 o 8.970000 3.825000  ?              ?         
1 1 1 1  9  0  f 11.56000 1.790000  0.000000       0.000000  
1 1 1 1  9  2  o 139.7000 1.789000  -1.566000      3.578000  
1 1 1 1  9  4  o 49.26000 0.7234000 0.6997000      1.447000  
1 1 1 1  9  6  o 104.7000 1.355000  -1.725000      2.710000  
1 1 1 1  9  8  o 84.19000 1.115000  1.254000       2.229000  
1 1 1 1  9  10 o 85.27000 1.212000  0.8585000      2.423000  
1 1 1 1  9  12 o 78.81000 1.201000  -1.748000      2.402000  
1 1 1 1  9  14 o 25.44000 1.760000  -5.754000      3.520000  
1 1 1 1  9  16 o 71.02000 1.033000  -1.159000      2.067000  
1 1 1 1  9  18 o 160.9000 2.067000  4.499000       4.133000  
1 1 1 1  9  20 o 67.82000 0.9383000 -1.324000      1.877000  
1 1 1 1  9  22 o 45.76000 0.8918000 2.292000       1.784000  
1 1 1 1  9  24 o 87.68000 1.300000  -2.224000      2.600000  
1 1 1 1  9  26 o 99.28000 1.519000  -7.585000      3.038000  
1 1 1 1  9  28 o 66.03000 1.343000  -3.746000      2.686000  
1 1 1 1  9  30 o 59.29000 0.9381000 3.565000       1.876000  
1 1 1 1  9  32 o 49.19000 0.8836000 1.720000       1.767000  
1 1 1 1  9  34 o 51.13000 0.9479000 1.343000       1.896000  
1 1 1 1  9  36 o 37.26000 0.8780000 -0.6525000     1.756000  
1 1 1 1  9  38 o 35.75000 0.8645000 -0.6255000     1.729000  
1 1 1 1  9  40 o 6.055000 1.672000  -0.2190000     3.345000  
1 1 1 1  9  42 o 4.506000 1.534000  -0.5653000     3.069000  
1 1 1 1  9  44 o 22.71000 3.462000  3.058000       6.924000  
1 1 1 1  9  46 o 14.33000 4.606000  8.569000       9.212000  
1 1 1 1  9  48 o 23.22000 1.099000  -0.9383000     2.198000  
1 1 1 1  9  50 o 11.85000 2.385000  -4.080000      4.770000  
1 1 1 1  10 1  o 118.4000 1.526000  1.135000       3.053000  
1 1 1 1  10 3  o 54.33000 0.7828000 -0.9660000     1.566000  
1 1 1 1  10 5  o 32.80000 0.7278000 -0.3932000     1.456000  
1 1 1 1  10 7  o 45.77000 0.7407000 -0.6380000     1.481000  
1 1 1 1  10 9  o 70.81000 1.107000  -0.8930000     2.214000  
1 1 1 1  10 11 o 44.63000 0.7591000 1.836000       1.518000  
1 1 1 1  10 13 o 48.53000 0.8395000 1.543000       1.679000  
1 1 1 1  10 15 o 77.13000 1.133000  2.125000       2.266000  
1 1 1 1  10 17 o 80.17000 1.078000  -3.143000      2.157000  
1 1 1 1  10 19 o 71.31000 0.9857000 -0.5802000     1.971000  
1 1 1 1  10 21 o 77.67000 1.180000  0.7334000E-01  2.361000  
1 1 1 1  10 23 o 91.44000 1.539000  0.3114000      3.078000  
1 1 1 1  10 25 o 48.31000 1.248000  -1.757000      2.496000  
1 1 1 1  10 27 o 50.14000 0.9096000 -1.947000      1.819000  
1 1 1 1  10 29 o 111.1000 1.533000  4.089000       3.066000  
1 1 1 1  10 31 o 80.10000 1.238000  0.9186000      2.476000  
1 1 1 1  10 33 o 58.40000 0.9371000 0.8045000      1.874000  
1 1 1 1  10 35 o 84.60000 1.223000  3.178000       2.447000  
1 1 1 1  10 37 o 31.15000 0.8786000 -1.423000      1.757000  
1 1 1 1  10 39 o 58.32000 1.160000  -1.836000      2.320000  
1 1 1 1  10 41 o 30.40000 1.017000  0.4840000      2.035000  
1 1 1 1  10 43 o 54.86000 1.548000  -1.315000      3.097000  
1 1 1 1  10 45 o 21.47000 2.986000  -9.438000      5.972000  
1 1 1 1  10 47 o 31.01000 2.214000  -3.261000      4.428000  
1 1 1 1  10 49 o 11.83000 3.166000  -0.9632000     6.331000  
1 1 1 1  11 0  o 37.96000 1.050000  0.000000       0.000000  
1 1 1 1  11 2  o 96.59000 1.268000  0.4936000      2.537000  
1 1 1 1  11 4  o 51.02000 0.7863000 0.7550000      1.573000  
1 1 1 1  11 6  o 34.33000 0.8257000 0.1462000      1.651000  
1 1 1 1  11 8  o 45.91000 0.8026000 0.1430000      1.605000  
1 1 1 1  11 10 o 75.66000 1.184000  3.702000       2.368000  
1 1 1 1  11 12 o 71.39000 1.045000  -3.150000      2.090000  
1 1 1 1  11 14 o 19.47000 1.032000  0.2600000E-01  2.063000  
1 1 1 1  11 16 o 63.37000 0.9346000 0.1609000      1.869000  
1 1 1 1  11 18 o 8.556000 0.9557000 1.756000       1.911000  
1 1 1 1  11 20 o 67.96000 0.9570000 0.9166000      1.914000  
1 1 1 1  11 22 o 77.12000 1.124000  2.591000       2.248000  
1 1 1 1  11 24 o 75.65000 1.715000  -3.005000      3.429000  
1 1 1 1  11 26 o 14.14000 1.125000  5.164000       2.250000  
1 1 1 1  11 28 o 86.73000 1.203000  -2.777000      2.405000  
1 1 1 1  11 30 o 112.9000 1.652000  -3.087000      3.304000  
1 1 1 1  11 32 o 17.92000 1.388000  0.5520000      2.776000  
1 1 1 1  11 34 o 31.35000 1.086000  1.700000       2.171000  
1 1 1 1  11 36 o 48.96000 1.143000  -1.668000      2.286000  
1 1 1 1  11 38 o 22.33000 1.702000  3.061000       3.403000  
1 1 1 1  11 40 o 28.67000 2.514000  5.649000       5.028000  
1 1 1 1  11 42 o 49.02000 2.883000  2.401000       5.765000  
1 1 1 1  11 44 f 31.26000 1.068000  -0.9387000     2.136000  
1 1 1 1  11 46 o 21.22000 2.083000  6.765000       4.166000  
1 1 1 1  11 48 o 22.01000 3.532000  -0.8222000     7.063000  
1 1 1 1  11 50 o 18.03000 2.324000  9.531000       4.649000  
1 1 1 1  12 1  o 119.5000 1.550000  1.132000       3.101000  
1 1 1 1  12 3  o 36.91000 0.8570000 -0.2690000     1.714000  
1 1 1 1  12 5  o 17.62000 1.328000  0.1915000      2.656000  
1 1 1 1  12 7  f 92.98000 1.416000  -2.425000      2.831000  
1 1 1 1  12 9  o 132.9000 1.976000  -0.2828000     3.952000  
1 1 1 1  12 11 o 42.70000 0.7419000 -0.4800000     1.484000  
1 1 1 1  12 13 o 43.96000 0.8084000 3.720000       1.617000  
1 1 1 1  12 15 o 87.70000 1.171000  -0.6179000     2.343000  
1 1 1 1  12 17 f 46.88000 0.8482000 -1.407000      1.696000  
1 1 1 1  12 19 o 87.63000 1.265000  -7.259000      2.531000  
1 1 1 1  12 21 o 72.59000 1.167000  -2.126000      2.334000  
1 1 1 1  12 23 o 32.67000 0.8883000 -1.418000      1.777000  
1 1 1 1  12 25 o 6.160000 1.715000  -1.079000      3.429000  
1 1 1 1  12 27 o 37.69000 0.7601000 0.7180000      1.520000  
1 1 1 1  12 29 f 52.09000 0.9007000 -0.3882000     1.801000  
1 1 1 1  12 31 o 71.79000 1.062000  2.197000       2.124000  
1 1 1 1  12 33 o 66.47000 1.063000  -1.927000      2.127000  
1 1 1 1  12 35 o 33.78000 1.479000  0.4741000      2.958000  
1 1 1 1  12 37 o 26.57000 0.9667000 -1.255000      1.933000  
1 1 1 1  12 39 f 52.51000 1.455000  6.260000       2.910000  
1 1 1 1  12 41 o 7.283000 3.653000  ?              ?         
1 1 1 1  12 43 o 11.17000 2.246000  4.319000       4.492000  
1 1 1 1  12 45 o 19.89000 3.226000  0.7172000      6.452000  
1 1 1 1  12 47 f 31.67000 2.419000  6.877000       4.838000  
1 1 1 1  12 49 o 20.58000 2.954000  5.851000       5.908000  
1 1 1 1  13 0  f 49.93000 1.321000  0.000000       0.000000  
1 1 1 1  13 2  o 38.15000 0.9211000 -0.9714000     1.842000  
1 1 1 1  13 4  o 22.96000 1.169000  -0.4256000     2.337000  
1 1 1 1  13 6  o 72.91000 1.166000  -1.349000      2.331000  
1 1 1 1  13 8  o 10.63000 1.900000  -0.8496000     3.800000  
1 1 1 1  13 10 o 66.89000 0.9425000 1.006000       1.885000  
1 1 1 1  13 12 o 28.06000 0.9778000 1.513000       1.956000  
1 1 1 1  13 14 o 45.02000 0.8755000 -2.770000      1.751000  
1 1 1 1  13 16 o 26.11000 0.9748000 -2.786000      1.950000  
1 1 1 1  13 18 o 81.95000 1.239000  -3.387000      2.477000  
1 1 1 1  13 20 o 107.4000 1.533000  4.256000       3.067000  
1 1 1 1  13 22 o 61.65000 1.399000  1.362000       2.797000  
1 1 1 1  13 24 o 54.52000 1.206000  5.682000       2.412000  
1 1 1 1  13 26 o 57.02000 0.9370000 -3.680000      1.874000  
1 1 1 1  13 28 o 35.09000 0.8047000 1.462000       1.609000  
1 1 1 1  13 30 o 63.60000 1.023000  -3.672000      2.046000  
1 1 1 1  13 32 o 89.91000 1.548000  2.298000       3.096000  
1 1 1 1  13 34 o 40.20000 1.478000  -0.3710000     2.955000  
1 1 1 1  13 36 o 51.62000 1.338000  3.164000       2.677000  
1 1 1 1  13 38 o 32.39000 0.9959000 3.553000       1.992000  
1 1 1 1  13 40 o 29.26000 1.133000  -4.131000      2.266000  
1 1 1 1  13 42 o 29.15000 2.304000  -2.705000      4.608000  
1 1 1 1  13 44 o 24.84000 1.409000  -4.768000      2.818000  
1 1 1 1  13 46 o 18.09000 2.029000  -7.270000      4.057000  
1 1 1 1  13 48 o 14.85000 2.171000  -9.304000      4.342000  
1 1 1 1  14 1  o 49.92000 1.089000  1.054000       2.177000  
1 1 1 1  14 3  o 31.16000 1.160000  -1.125000      2.319000  
1 1 1 1  14 5  o 51.16000 0.8501000 -1.995000      1.700000  
1 1 1 1  14 7  o 87.61000 1.176000  0.7255000E-01  2.353000  
1 1 1 1  14 9  o 37.40000 0.7956000 0.4852000E-01  1.591000  
1 1 1 1  14 11 o 87.62000 1.180000  0.9987000      2.360000  
1 1 1 1  14 13 o 144.1000 2.156000  -2.666000      4.312000  
1 1 1 1  14 15 o 43.11000 0.8267000 -1.714000      1.653000  
1 1 1 1  14 17 f 116.5000 1.529000  2.802000       3.059000  
1 1 1 1  14 19 o 83.06000 1.306000  -3.864000      2.612000  
1 1 1 1  14 21 o 54.69000 1.352000  -4.970000      2.705000  
1 1 1 1  14 23 o 33.69000 1.023000  1.816000       2.046000  
1 1 1 1  14 25 o 57.62000 1.094000  -1.247000      2.188000  
1 1 1 1  14 27 o 32.63000 0.8200000 1.657000       1.640000  
1 1 1 1  14 29 o 50.24000 0.8997000 1.895000       1.799000  
1 1 1 1  14 31 o 41.51000 0.8733000 -2.605000      1.747000  
1 1 1 1  14 33 o 61.16000 1.092000  1.966000       2.183000  
1 1 1 1  14 35 o 7.570000 2.115000  0.1957000      4.230000  
1 1 1 1  14 37 o 60.45000 1.039000  -4.330000      2.078000  
1 1 1 1  14 39 o 29.14000 1.614000  -3.080000      3.228000  
1 1 1 1  14 41 o 54.62000 1.765000  -4.636000      3.531000  
1 1 1 1  14 43 o 27.52000 2.636000  -5.955000      5.271000  
1 1 1 1  14 45 o 37.12000 1.946000  -8.427000      3.893000  
1 1 1 1  14 47 o 11.80000 2.905000  -0.4873000     5.810000  
1 1 1 1  14 49 o 29.13000 1.737000  ?              ?         
1 1 1 1  15 0  o 15.50000 3.583000  0.000000       0.000000  
1 1 1 1  15 2  o 37.01000 1.390000  -1.004000      2.780000  
1 1 1 1  15 4  o 95.23000 1.478000  1.799000       2.956000  
1 1 1 1  15 6  o 119.6000 1.691000  -0.4656000     3.382000  
1 1 1 1  15 8  o 173.3000 2.223000  -6.059000      4.447000  
1 1 1 1  15 10 o 90.97000 1.218000  -1.423000      2.437000  
1 1 1 1  15 12 o 63.46000 1.029000  1.405000       2.058000  
1 1 1 1  15 14 o 117.6000 1.541000  -1.204000      3.082000  
1 1 1 1  15 16 o 42.63000 1.026000  4.003000       2.052000  
1 1 1 1  15 18 o 92.13000 1.299000  -0.3621000     2.598000  
1 1 1 1  15 20 o 99.14000 1.586000  3.840000       3.172000  
1 1 1 1  15 22 o 40.06000 3.120000  -13.42000      6.241000  
1 1 1 1  15 24 o 59.66000 1.035000  -1.756000      2.069000  
1 1 1 1  15 26 o 29.23000 0.8072000 -0.9600000     1.614000  
1 1 1 1  15 28 o 30.23000 0.8924000 2.624000       1.785000  
1 1 1 1  15 30 f 11.63000 1.670000  -1.168000      3.341000  
1 1 1 1  15 32 o 25.92000 0.9716000 -1.250000      1.943000  
1 1 1 1  15 34 o 13.79000 1.769000  4.595000       3.539000  
1 1 1 1  15 36 o 57.47000 1.005000  -1.203000      2.010000  
1 1 1 1  15 38 o 18.37000 1.920000  -1.571000      3.841000  
1 1 1 1  15 42 f 19.18000 2.279000  -2.050000      4.559000  
1 1 1 1  15 44 o 22.19000 1.945000  -6.864000      3.889000  
1 1 1 1  15 46 o 16.68000 2.578000  -3.706000      5.156000  
1 1 1 1  15 48 f 6.695000 2.174000  -1.239000      4.349000  
1 1 1 1  16 1  o 67.76000 1.079000  -0.3684000     2.157000  
1 1 1 1  16 3  o 73.26000 1.213000  -0.7735000     2.426000  
1 1 1 1  16 5  o 89.01000 1.492000  -0.9310000     2.983000  
1 1 1 1  16 7  o 62.45000 1.106000  -0.9832000     2.212000  
1 1 1 1  16 9  f 92.88000 1.353000  -0.8132000     2.707000  
1 1 1 1  16 11 o 25.27000 1.599000  5.558000       3.199000  
1 1 1 1  16 13 o 77.31000 1.095000  3.082000       2.190000  
1 1 1 1  16 15 o 131.8000 1.723000  -2.482000      3.446000  
1 1 1 1  16 17 o 89.82000 1.353000  3.457000       2.707000  
1 1 1 1  16 19 o 47.71000 1.105000  -2.010000      2.210000  
1 1 1 1  16 21 o 103.8000 1.788000  1.899000       3.577000  
1 1 1 1  16 23 o 93.83000 1.426000  -4.102000      2.851000  
1 1 1 1  16 25 o 38.62000 0.8653000 -0.3578000     1.731000  
1 1 1 1  16 27 o 20.94000 0.9199000 -0.7396000     1.840000  
1 1 1 1  16 29 o 27.75000 0.9255000 -1.164000      1.851000  
1 1 1 1  16 31 o 27.81000 0.9201000 5.805000       1.840000  
1 1 1 1  16 33 o 29.91000 0.9885000 3.651000       1.977000  
1 1 1 1  16 35 o 23.16000 1.362000  1.359000       2.724000  
1 1 1 1  16 37 o 39.80000 1.100000  0.7727000      2.201000  
1 1 1 1  16 39 o 13.68000 3.227000  6.523000       6.454000  
1 1 1 1  16 41 o 20.37000 2.534000  0.3183000      5.067000  
1 1 1 1  16 43 o 13.57000 3.541000  2.910000       7.081000  
1 1 1 1  16 45 o 42.76000 1.715000  -3.351000      3.430000  
1 1 1 1  16 47 o 8.018000 2.494000  0.3674000      4.988000  
1 1 1 1  17 0  o 71.07000 1.456000  0.000000       0.000000  
1 1 1 1  17 2  o 51.98000 0.9012000 0.1350000      1.802000  
1 1 1 1  17 4  o 60.16000 1.038000  -1.137000      2.076000  
1 1 1 1  17 6  o 107.9000 1.655000  1.059000       3.310000  
1 1 1 1  17 8  o 64.56000 1.267000  0.8571000      2.533000  
1 1 1 1  17 10 o 101.7000 1.683000  0.5286000      3.366000  
1 1 1 1  17 12 o 52.50000 1.021000  2.176000       2.041000  
1 1 1 1  17 14 o 72.29000 1.172000  -0.1687000     2.345000  
1 1 1 1  17 16 o 164.4000 2.316000  -3.513000      4.633000  
1 1 1 1  17 18 o 141.0000 1.902000  5.053000       3.803000  
1 1 1 1  17 20 o 109.1000 1.791000  3.427000       3.583000  
1 1 1 1  17 22 o 11.69000 2.876000  9.035000       5.751000  
1 1 1 1  17 24 o 56.27000 1.046000  1.829000       2.093000  
1 1 1 1  17 26 o 43.44000 1.521000  -3.990000      3.042000  
1 1 1 1  17 28 o 35.45000 0.9184000 -0.2998000     1.837000  
1 1 1 1  17 30 o 17.90000 1.054000  0.4093000      2.108000  
1 1 1 1  17 32 o 41.65000 0.9832000 1.245000       1.966000  
1 1 1 1  17 34 o 24.78000 1.075000  2.977000       2.151000  
1 1 1 1  17 36 o 23.54000 1.293000  3.309000       2.587000  
1 1 1 1  17 38 o 9.348000 2.583000  -1.326000      5.167000  
1 1 1 1  17 40 o 18.68000 4.282000  -6.410000      8.565000  
1 1 1 1  17 42 o 10.70000 2.843000  -5.368000      5.686000  
1 1 1 1  17 44 o 36.63000 1.420000  -1.719000      2.840000  
1 1 1 1  17 46 o 15.30000 2.741000  0.1674000      5.482000  
1 1 1 1  17 48 o 24.71000 4.157000  -1.770000      8.314000  
1 1 1 1  18 1  o 150.3000 1.944000  1.227000       3.889000  
1 1 1 1  18 3  o 87.02000 1.200000  -0.2512000     2.400000  
1 1 1 1  18 5  o 52.84000 0.9338000 -2.253000      1.868000  
1 1 1 1  18 7  o 76.96000 1.213000  -1.108000      2.426000  
1 1 1 1  18 9  o 47.07000 1.116000  -1.052000      2.233000  
1 1 1 1  18 11 o 66.60000 1.487000  1.783000       2.975000  
1 1 1 1  18 13 o 51.36000 1.340000  0.2883000      2.681000  
1 1 1 1  18 15 o 115.0000 1.572000  4.112000       3.143000  
1 1 1 1  18 17 o 115.1000 1.780000  6.296000       3.560000  
1 1 1 1  18 19 o 51.78000 2.273000  4.580000       4.547000  
1 1 1 1  18 21 o 35.01000 2.957000  11.36000       5.914000  
1 1 1 1  18 23 o 28.21000 1.889000  3.225000       3.779000  
1 1 1 1  18 25 o 54.56000 1.132000  -2.258000      2.263000  
1 1 1 1  18 27 o 31.75000 0.9852000 0.7676000      1.970000  
1 1 1 1  18 29 o 52.43000 1.052000  -0.1635000     2.104000  
1 1 1 1  18 31 o 19.49000 1.010000  0.1042000      2.020000  
1 1 1 1  18 33 o 40.99000 1.003000  -2.970000      2.005000  
1 1 1 1  18 35 o 52.85000 1.042000  -1.302000      2.084000  
1 1 1 1  18 37 o 37.52000 1.196000  -0.6562000     2.391000  
1 1 1 1  18 39 o 53.34000 2.109000  -3.511000      4.218000  
1 1 1 1  18 41 o 18.60000 2.921000  -5.988000      5.843000  
1 1 1 1  18 43 o 14.35000 3.543000  0.5882000      7.086000  
1 1 1 1  18 45 o 21.62000 2.311000  0.6360000      4.622000  
1 1 1 1  18 47 o 7.937000 2.459000  -0.1300000     4.918000  
1 1 1 1  19 0  o 25.19000 1.907000  0.000000       0.000000  
1 1 1 1  19 2  o 57.83000 0.9930000 0.3952000      1.986000  
1 1 1 1  19 4  o 45.94000 1.009000  -0.7411000     2.018000  
1 1 1 1  19 6  o 65.55000 1.046000  -0.2471000     2.092000  
1 1 1 1  19 8  o 13.82000 2.500000  -1.654000      5.001000  
1 1 1 1  19 10 f 68.39000 1.398000  0.1464000      2.796000  
1 1 1 1  19 12 o 52.70000 1.251000  -2.777000      2.502000  
1 1 1 1  19 14 o 132.3000 1.905000  6.528000       3.810000  
1 1 1 1  19 16 o 67.91000 2.485000  3.725000       4.969000  
1 1 1 1  19 18 o 42.16000 4.288000  5.990000       8.577000  
1 1 1 1  19 20 o 46.42000 1.258000  0.1872000      2.517000  
1 1 1 1  19 22 o 42.28000 1.410000  -2.389000      2.820000  
1 1 1 1  19 24 o 59.41000 1.787000  2.885000       3.573000  
1 1 1 1  19 26 o 51.34000 1.501000  -0.4145000     3.002000  
1 1 1 1  19 28 o 30.15000 1.736000  4.886000       3.472000  
1 1 1 1  19 30 o 27.98000 1.763000  0.4933000E-01  3.526000  
1 1 1 1  19 32 o 41.25000 0.9986000 2.739000       1.997000  
1 1 1 1  19 34 o 26.40000 1.036000  2.394000       2.073000  
1 1 1 1  19 36 o 41.95000 1.132000  0.7579000      2.264000  
1 1 1 1  19 38 o 33.24000 1.708000  -5.261000      3.416000  
1 1 1 1  19 40 o 6.591000 2.051000  -0.3095000     4.102000  
1 1 1 1  19 42 o 31.83000 2.215000  -2.083000      4.431000  
1 1 1 1  19 44 o 30.03000 1.968000  -6.694000      3.936000  
1 1 1 1  19 46 o 6.527000 3.177000  ?              ?         
1 1 1 1  20 1  o 12.95000 2.522000  1.278000       5.044000  
1 1 1 1  20 3  o 83.42000 1.194000  -0.4578000     2.389000  
1 1 1 1  20 5  o 61.18000 1.032000  -3.132000      2.065000  
1 1 1 1  20 7  o 55.56000 1.033000  -1.622000      2.067000  
1 1 1 1  20 9  o 34.36000 1.454000  3.196000       2.909000  
1 1 1 1  20 11 o 83.54000 1.367000  1.202000       2.734000  
1 1 1 1  20 13 o 70.04000 1.531000  1.331000       3.062000  
1 1 1 1  20 15 o 81.87000 1.871000  10.69000       3.742000  
1 1 1 1  20 17 o 11.92000 3.204000  -8.094000      6.408000  
1 1 1 1  20 19 o 97.22000 2.507000  8.649000       5.014000  
1 1 1 1  20 21 o 74.61000 3.118000  15.66000       6.235000  
1 1 1 1  20 23 o 50.38000 1.213000  4.441000       2.426000  
1 1 1 1  20 25 o 56.31000 1.462000  3.834000       2.924000  
1 1 1 1  20 27 o 67.02000 1.510000  -3.536000      3.019000  
1 1 1 1  20 29 o 57.54000 1.360000  5.490000       2.719000  
1 1 1 1  20 31 o 49.15000 1.391000  -1.036000      2.781000  
1 1 1 1  20 33 o 49.67000 1.415000  1.184000       2.830000  
1 1 1 1  20 35 o 20.18000 2.619000  -1.775000      5.239000  
1 1 1 1  20 37 o 36.94000 1.345000  3.420000       2.690000  
1 1 1 1  20 39 o 5.973000 2.867000  ?              ?         
1 1 1 1  20 41 o 26.26000 3.311000  -0.3167000     6.621000  
1 1 1 1  20 43 o 11.43000 2.968000  -3.979000      5.936000  
1 1 1 1  20 45 o 5.580000 1.926000  -2.571000      3.852000  
1 1 1 1  20 47 o 7.795000 2.552000  1.661000       5.104000  
1 1 1 1  21 0  o 13.12000 3.784000  0.000000       0.000000  
1 1 1 1  21 2  o 47.03000 1.150000  -1.994000      2.300000  
1 1 1 1  21 4  o 137.6000 1.808000  0.1244000      3.615000  
1 1 1 1  21 6  o 18.18000 2.459000  -2.436000      4.918000  
1 1 1 1  21 8  o 76.30000 1.400000  -1.189000      2.801000  
1 1 1 1  21 10 f 63.26000 1.333000  -0.6086000     2.666000  
1 1 1 1  21 12 o 47.50000 1.704000  0.5788000E-01  3.407000  
1 1 1 1  21 14 o 115.1000 2.186000  -2.426000      4.372000  
1 1 1 1  21 16 o 10.55000 3.230000  1.817000       6.460000  
1 1 1 1  21 18 o 72.61000 1.978000  7.901000       3.956000  
1 1 1 1  21 20 o 103.5000 1.887000  0.7616000      3.774000  
1 1 1 1  21 22 o 27.92000 3.292000  13.34000       6.584000  
1 1 1 1  21 24 o 19.94000 3.366000  3.581000       6.732000  
1 1 1 1  21 26 o 62.04000 1.566000  6.117000       3.131000  
1 1 1 1  21 28 o 25.29000 0.9663000 1.156000       1.933000  
1 1 1 1  21 30 o 27.75000 0.9815000 2.798000       1.963000  
1 1 1 1  21 32 o 45.03000 1.576000  -0.1390000     3.152000  
1 1 1 1  21 34 o 23.10000 2.701000  5.595000       5.403000  
1 1 1 1  21 36 o 7.353000 3.685000  ?              ?         
1 1 1 1  21 38 o 19.33000 5.207000  -1.676000      10.41000  
1 1 1 1  21 40 o 32.78000 2.479000  2.015000       4.959000  
1 1 1 1  21 42 o 49.31000 1.646000  1.439000       3.292000  
1 1 1 1  21 44 o 47.58000 2.298000  5.410000       4.597000  
1 1 1 1  21 46 o 35.62000 1.201000  0.6252000      2.402000  
1 1 1 1  22 1  o 78.36000 1.238000  0.8884000      2.475000  
1 1 1 1  22 3  o 76.38000 1.251000  -0.3686000     2.502000  
1 1 1 1  22 5  o 77.24000 1.245000  -2.709000      2.490000  
1 1 1 1  22 7  o 99.31000 1.479000  0.3926000E-01  2.958000  
1 1 1 1  22 9  o 78.62000 1.701000  -3.953000      3.401000  
1 1 1 1  22 11 o 102.8000 1.787000  5.115000       3.575000  
1 1 1 1  22 13 o 13.46000 4.126000  -4.472000      8.252000  
1 1 1 1  22 15 o 153.5000 2.364000  2.264000       4.728000  
1 1 1 1  22 17 o 69.32000 1.693000  -3.011000      3.385000  
1 1 1 1  22 19 o 40.87000 1.208000  -0.4737000     2.416000  
1 1 1 1  22 21 o 56.65000 1.296000  0.1101000      2.592000  
1 1 1 1  22 23 o 55.95000 1.281000  2.702000       2.562000  
1 1 1 1  22 25 o 29.73000 2.807000  8.552000       5.614000  
1 1 1 1  22 27 f 54.63000 1.718000  -0.2880000     3.435000  
1 1 1 1  22 29 o 49.47000 1.148000  -2.105000      2.296000  
1 1 1 1  22 31 f 49.25000 1.188000  -1.614000      2.376000  
1 1 1 1  22 33 o 16.94000 1.217000  1.031000       2.434000  
1 1 1 1  22 35 o 27.99000 1.207000  -2.341000      2.413000  
1 1 1 1  22 37 f 14.60000 2.874000  16.24000       5.747000  
1 1 1 1  22 39 o 43.31000 2.125000  4.841000       4.250000  
1 1 1 1  22 41 o 31.05000 3.036000  1.767000       6.073000  
1 1 1 1  22 43 o 11.86000 2.695000  2.737000       5.390000  
1 1 1 1  22 45 o 25.23000 1.364000  -0.3083000     2.728000  
1 1 1 1  23 0  o 99.91000 2.127000  0.000000       0.000000  
1 1 1 1  23 2  o 15.26000 3.486000  3.493000       6.973000  
1 1 1 1  23 4  o 31.50000 2.669000  1.481000       5.339000  
1 1 1 1  23 6  o 96.29000 1.536000  -2.515000      3.071000  
1 1 1 1  23 8  o 25.10000 3.733000  10.70000       7.466000  
1 1 1 1  23 10 o 122.7000 2.373000  0.8839000      4.745000  
1 1 1 1  23 12 o 94.24000 1.804000  1.650000       3.608000  
1 1 1 1  23 14 o 60.39000 1.647000  -3.050000      3.293000  
1 1 1 1  23 16 o 60.52000 1.454000  -2.101000      2.908000  
1 1 1 1  23 18 o 91.48000 1.743000  2.340000       3.485000  
1 1 1 1  23 20 o 26.54000 1.680000  4.996000       3.360000  
1 1 1 1  23 22 o 42.19000 1.277000  -1.318000      2.553000  
1 1 1 1  23 24 o 16.43000 1.969000  3.025000       3.938000  
1 1 1 1  23 26 o 59.87000 1.384000  3.994000       2.768000  
1 1 1 1  23 28 o 41.12000 3.038000  -10.38000      6.077000  
1 1 1 1  23 30 o 12.23000 3.285000  4.540000       6.570000  
1 1 1 1  23 32 o 32.99000 1.045000  -3.206000      2.090000  
1 1 1 1  23 34 o 49.05000 1.247000  -2.637000      2.493000  
1 1 1 1  23 36 o 28.55000 1.967000  1.477000       3.934000  
1 1 1 1  23 38 o 15.39000 2.348000  1.318000       4.695000  
1 1 1 1  23 40 o 11.84000 3.695000  -4.852000      7.389000  
1 1 1 1  23 42 o 38.33000 3.416000  6.212000       6.832000  
1 1 1 1  23 44 o 14.17000 5.409000  ?              ?         
1 1 1 1  24 1  o 39.90000 2.213000  -2.613000      4.426000  
1 1 1 1  24 3  o 8.077000 2.822000  0.3630000      5.645000  
1 1 1 1  24 5  o 53.41000 2.656000  6.147000       5.311000  
1 1 1 1  24 7  o 170.4000 3.286000  -8.958000      6.573000  
1 1 1 1  24 9  f 160.9000 2.518000  0.4149000      5.036000  
1 1 1 1  24 11 o 84.95000 1.880000  2.539000       3.761000  
1 1 1 1  24 13 o 12.03000 3.515000  1.416000       7.030000  
1 1 1 1  24 15 o 22.51000 2.230000  3.894000       4.459000  
1 1 1 1  24 17 o 40.41000 1.443000  -6.062000      2.885000  
1 1 1 1  24 19 o 38.54000 1.500000  3.316000       3.000000  
1 1 1 1  24 21 o 58.31000 1.382000  -1.391000      2.763000  
1 1 1 1  24 23 o 48.75000 1.272000  2.126000       2.544000  
1 1 1 1  24 25 o 39.72000 1.238000  0.3001000      2.476000  
1 1 1 1  24 27 o 35.31000 1.260000  3.144000       2.520000  
1 1 1 1  24 29 o 12.61000 1.512000  -3.533000      3.024000  
1 1 1 1  24 31 o 36.73000 2.890000  -8.874000      5.780000  
1 1 1 1  24 33 o 32.98000 2.700000  5.364000       5.400000  
1 1 1 1  24 35 o 36.27000 1.349000  0.2961000E-01  2.698000  
1 1 1 1  24 37 o 40.32000 1.393000  -3.197000      2.786000  
1 1 1 1  24 39 o 24.36000 3.818000  -5.583000      7.635000  
1 1 1 1  24 41 o 9.963000 2.822000  3.191000       5.643000  
1 1 1 1  24 43 o 6.656000 2.230000  1.363000       4.460000  
1 1 1 1  24 45 o 15.20000 3.037000  ?              ?         
1 1 1 1  25 0  o 75.52000 2.672000  0.000000       0.000000  
1 1 1 1  25 2  o 71.54000 1.890000  -1.479000      3.779000  
1 1 1 1  25 4  o 45.02000 2.755000  -4.582000      5.510000  
1 1 1 1  25 6  o 45.51000 2.677000  -4.608000      5.355000  
1 1 1 1  25 8  o 18.50000 4.143000  3.971000       8.286000  
1 1 1 1  25 10 o 52.35000 1.880000  3.054000       3.761000  
1 1 1 1  25 12 o 48.54000 1.505000  3.102000       3.009000  
1 1 1 1  25 14 o 116.7000 1.702000  3.800000       3.405000  
1 1 1 1  25 16 o 96.68000 1.497000  0.5584000      2.993000  
1 1 1 1  25 18 o 28.78000 1.945000  4.656000       3.889000  
1 1 1 1  25 20 o 23.69000 1.968000  0.2546000      3.936000  
1 1 1 1  25 22 o 13.02000 2.784000  0.1099000E-01  5.569000  
1 1 1 1  25 24 o 22.81000 1.668000  0.6809000      3.336000  
1 1 1 1  25 26 o 41.19000 1.276000  -5.026000      2.553000  
1 1 1 1  25 28 o 49.06000 2.444000  -8.174000      4.887000  
1 1 1 1  25 30 o 32.84000 1.061000  0.7519000      2.122000  
1 1 1 1  25 32 f 45.48000 1.242000  1.631000       2.485000  
1 1 1 1  25 34 o 22.05000 3.542000  -11.99000      7.084000  
1 1 1 1  25 36 o 7.068000 2.262000  0.2693000      4.523000  
1 1 1 1  25 38 o 25.79000 1.276000  -0.6072000     2.552000  
1 1 1 1  25 40 o 20.12000 1.841000  0.6050000      3.682000  
1 1 1 1  25 42 o 25.09000 1.824000  5.556000       3.648000  
1 1 1 1  25 44 o 6.184000 2.213000  2.556000       4.426000  
1 1 1 1  26 1  o 28.37000 3.055000  -1.920000      6.109000  
1 1 1 1  26 3  o 88.74000 1.768000  2.259000       3.537000  
1 1 1 1  26 5  o 34.76000 2.510000  -5.891000      5.020000  
1 1 1 1  26 7  o 126.3000 2.544000  -2.493000      5.089000  
1 1 1 1  26 9  o 31.97000 2.117000  -0.2156000     4.234000  
1 1 1 1  26 11 o 73.53000 1.485000  4.856000       2.970000  
1 1 1 1  26 13 o 42.22000 1.652000  -1.482000      3.304000  
1 1 1 1  26 15 o 49.08000 1.543000  -0.5813000E-01 3.085000  
1 1 1 1  26 17 o 28.40000 2.180000  -1.515000      4.360000  
1 1 1 1  26 19 o 44.90000 1.530000  2.396000       3.059000  
1 1 1 1  26 21 o 21.26000 2.146000  2.077000       4.291000  
1 1 1 1  26 23 o 47.83000 1.277000  0.4504000      2.555000  
1 1 1 1  26 25 o 41.09000 1.304000  2.541000       2.608000  
1 1 1 1  26 27 o 43.49000 1.308000  0.6420000      2.616000  
1 1 1 1  26 29 o 32.02000 4.151000  -3.476000      8.303000  
1 1 1 1  26 31 o 21.78000 1.175000  -1.054000      2.351000  
1 1 1 1  26 33 o 14.11000 2.358000  4.476000       4.717000  
1 1 1 1  26 35 o 16.48000 2.226000  -4.598000      4.452000  
1 1 1 1  26 37 f 19.61000 4.225000  0.8542000      8.450000  
1 1 1 1  26 39 o 12.82000 3.192000  -1.467000      6.384000  
1 1 1 1  26 41 o 10.36000 2.396000  -1.340000      4.791000  
1 1 1 1  26 43 o 37.34000 1.381000  0.8052000      2.763000  
1 1 1 1  27 0  o 31.04000 4.747000  0.000000       0.000000  
1 1 1 1  27 2  o 41.40000 1.918000  1.721000       3.837000  
1 1 1 1  27 4  o 115.0000 1.937000  -5.461000      3.875000  
1 1 1 1  27 6  o 163.5000 2.526000  0.1236000E-01  5.052000  
1 1 1 1  27 8  f 29.43000 2.278000  -6.177000      4.555000  
1 1 1 1  27 10 o 86.27000 1.610000  -9.157000      3.221000  
1 1 1 1  27 12 o 74.97000 1.480000  -3.379000      2.961000  
1 1 1 1  27 14 o 36.15000 2.017000  -0.6900000E-01 4.035000  
1 1 1 1  27 16 o 47.66000 1.584000  -0.2540000     3.168000  
1 1 1 1  27 18 o 86.30000 1.465000  -2.578000      2.930000  
1 1 1 1  27 20 o 29.55000 1.961000  0.3543000      3.922000  
1 1 1 1  27 22 o 18.94000 2.350000  -0.1736000     4.700000  
1 1 1 1  27 24 o 51.54000 1.406000  4.362000       2.811000  
1 1 1 1  27 26 o 58.93000 1.359000  3.451000       2.718000  
1 1 1 1  27 28 o 30.54000 1.353000  -1.958000      2.706000  
1 1 1 1  27 30 o 27.00000 3.851000  -7.185000      7.702000  
1 1 1 1  27 32 o 54.47000 1.600000  -2.416000      3.200000  
1 1 1 1  27 34 o 6.338000 2.178000  1.369000       4.355000  
1 1 1 1  27 36 o 32.27000 1.205000  2.219000       2.409000  
1 1 1 1  27 38 o 19.74000 1.442000  -4.763000      2.885000  
1 1 1 1  27 40 o 16.33000 3.248000  -4.007000      6.496000  
1 1 1 1  27 42 o 30.28000 1.699000  -3.715000      3.398000  
1 1 1 1  28 1  o 28.77000 3.211000  -1.412000      6.422000  
1 1 1 1  28 3  o 40.29000 2.449000  -1.186000      4.897000  
1 1 1 1  28 5  o 20.31000 3.951000  1.046000       7.902000  
1 1 1 1  28 7  o 18.98000 3.718000  -1.674000      7.437000  
1 1 1 1  28 9  o 36.38000 2.145000  -2.350000      4.289000  
1 1 1 1  28 11 o 64.71000 1.510000  0.1198000      3.019000  
1 1 1 1  28 13 o 64.41000 1.447000  0.8402000      2.894000  
1 1 1 1  28 15 f 49.17000 1.623000  -2.177000      3.247000  
1 1 1 1  28 17 o 29.24000 2.258000  -4.259000      4.516000  
1 1 1 1  28 19 o 25.32000 2.277000  -2.570000      4.554000  
1 1 1 1  28 21 o 27.97000 2.206000  2.778000       4.412000  
1 1 1 1  28 23 o 45.49000 1.540000  2.285000       3.080000  
1 1 1 1  28 25 o 61.42000 1.391000  2.235000       2.782000  
1 1 1 1  28 27 o 21.90000 1.801000  -1.951000      3.601000  
1 1 1 1  28 29 o 36.94000 1.405000  -1.851000      2.811000  
1 1 1 1  28 31 o 21.00000 1.889000  ?              ?         
1 1 1 1  28 33 o 7.304000 2.501000  0.7703000      5.001000  
1 1 1 1  28 35 o 26.45000 1.298000  -2.730000      2.596000  
1 1 1 1  28 37 o 33.34000 2.426000  -7.140000      4.852000  
1 1 1 1  28 39 o 16.05000 1.728000  -1.264000      3.457000  
1 1 1 1  28 41 o 14.00000 2.897000  -1.078000      5.795000  
1 1 1 1  29 0  f 37.37000 3.284000  0.000000       0.000000  
1 1 1 1  29 2  o 39.77000 2.115000  -0.3469000     4.231000  
1 1 1 1  29 4  o 39.49000 2.062000  -4.023000      4.124000  
1 1 1 1  29 6  o 16.94000 4.138000  0.2847000      8.275000  
1 1 1 1  29 8  o 34.85000 2.555000  1.453000       5.110000  
1 1 1 1  29 10 o 37.09000 2.192000  -3.256000      4.383000  
1 1 1 1  29 12 o 35.58000 2.290000  -1.554000      4.581000  
1 1 1 1  29 14 o 14.16000 3.705000  2.564000       7.410000  
1 1 1 1  29 16 o 27.85000 2.493000  0.4057000      4.985000  
1 1 1 1  29 18 o 33.46000 2.113000  -3.520000      4.225000  
1 1 1 1  29 20 o 25.20000 2.631000  5.159000       5.263000  
1 1 1 1  29 22 o 15.14000 3.017000  -0.5348000     6.033000  
1 1 1 1  29 24 o 48.05000 1.484000  -3.602000      2.967000  
1 1 1 1  29 26 o 13.44000 2.963000  0.6483000      5.926000  
1 1 1 1  29 28 o 13.66000 2.773000  1.888000       5.545000  
1 1 1 1  29 30 o 27.64000 2.234000  4.888000       4.468000  
1 1 1 1  29 32 o 7.390000 2.508000  0.8517000      5.017000  
1 1 1 1  29 34 f 18.76000 1.472000  -1.298000      2.944000  
1 1 1 1  29 36 o 31.35000 1.277000  -3.615000      2.553000  
1 1 1 1  29 38 o 19.12000 1.477000  -1.756000      2.953000  
1 1 1 1  29 40 o 17.79000 2.102000  -1.093000      4.203000  
1 1 1 1  30 1  o 63.61000 1.470000  -0.6471000     2.940000  
1 1 1 1  30 3  o 44.12000 2.008000  2.023000       4.016000  
1 1 1 1  30 5  f 78.54000 1.967000  -0.1257000     3.934000  
1 1 1 1  30 7  o 19.05000 3.924000  -6.964000      7.849000  
1 1 1 1  30 9  f 46.69000 2.231000  0.4751000      4.463000  
1 1 1 1  30 11 o 42.40000 2.236000  1.545000       4.473000  
1 1 1 1  30 13 o 14.78000 3.788000  0.4284000      7.576000  
1 1 1 1  30 15 o 50.72000 1.874000  0.2128000      3.747000  
1 1 1 1  30 17 o 30.98000 2.314000  1.072000       4.627000  
1 1 1 1  30 19 f 44.52000 1.703000  4.206000       3.406000  
1 1 1 1  30 21 o 31.26000 2.349000  7.041000       4.699000  
1 1 1 1  30 23 o 56.41000 1.494000  0.9808000      2.987000  
1 1 1 1  30 25 o 39.57000 1.504000  1.839000       3.009000  
1 1 1 1  30 27 o 16.88000 2.604000  7.094000       5.208000  
1 1 1 1  30 29 o 26.74000 2.380000  -2.624000      4.760000  
1 1 1 1  30 31 o 6.426000 2.168000  1.716000       4.336000  
1 1 1 1  30 33 o 50.73000 2.591000  -5.252000      5.182000  
1 1 1 1  30 35 o 28.89000 1.162000  0.6721000      2.323000  
1 1 1 1  30 37 o 8.704000 2.298000  -2.229000      4.596000  
1 1 1 1  30 39 o 10.85000 2.491000  -7.174000      4.982000  
1 1 1 1  31 0  o 39.64000 2.996000  0.000000       0.000000  
1 1 1 1  31 2  o 87.33000 1.530000  0.5210000      3.061000  
1 1 1 1  31 4  o 76.90000 1.800000  -0.5552000     3.599000  
1 1 1 1  31 6  o 56.96000 1.925000  -0.2888000     3.850000  
1 1 1 1  31 8  o 43.57000 2.332000  -2.270000      4.664000  
1 1 1 1  31 10 o 27.80000 3.759000  -4.247000      7.519000  
1 1 1 1  31 12 o 16.90000 4.349000  0.1826000      8.699000  
1 1 1 1  31 14 o 39.47000 2.417000  1.470000       4.835000  
1 1 1 1  31 16 o 42.16000 1.953000  -4.291000      3.906000  
1 1 1 1  31 18 o 27.67000 2.880000  -0.3185000     5.761000  
1 1 1 1  31 20 o 33.79000 2.107000  3.759000       4.214000  
1 1 1 1  31 22 o 44.63000 1.827000  -2.001000      3.654000  
1 1 1 1  31 24 o 39.08000 3.753000  7.501000       7.506000  
1 1 1 1  31 26 o 7.229000 2.459000  0.5676000E-01  4.917000  
1 1 1 1  31 28 o 80.75000 2.250000  -1.691000      4.501000  
1 1 1 1  31 30 o 10.44000 3.146000  2.117000       6.292000  
1 1 1 1  31 32 o 14.20000 4.404000  8.589000       8.809000  
1 1 1 1  31 34 o 12.25000 1.966000  -0.7113000     3.933000  
1 1 1 1  31 36 o 11.96000 3.334000  -3.212000      6.669000  
1 1 1 1  31 38 f 5.071000 1.745000  0.8962000      3.490000  
1 1 1 1  32 1  o 23.58000 3.480000  2.742000       6.959000  
1 1 1 1  32 3  o 33.27000 2.758000  0.7867000      5.517000  
1 1 1 1  32 5  o 34.65000 2.456000  -3.101000      4.911000  
1 1 1 1  32 7  o 57.95000 1.712000  -3.433000      3.425000  
1 1 1 1  32 9  o 85.80000 1.715000  -4.681000      3.429000  
1 1 1 1  32 11 o 48.27000 2.197000  0.2649000      4.394000  
1 1 1 1  32 13 o 50.51000 3.607000  0.7057000      7.213000  
1 1 1 1  32 15 o 14.64000 4.265000  0.7161000      8.529000  
1 1 1 1  32 17 o 53.52000 2.058000  2.423000       4.117000  
1 1 1 1  32 19 o 27.09000 3.691000  1.100000       7.381000  
1 1 1 1  32 21 o 37.71000 2.160000  -1.972000      4.321000  
1 1 1 1  32 23 o 52.02000 1.789000  -5.660000      3.578000  
1 1 1 1  32 25 o 10.26000 3.321000  -0.4305000E-02 6.643000  
1 1 1 1  32 27 o 52.62000 2.061000  2.869000       4.122000  
1 1 1 1  32 29 o 8.210000 2.474000  3.788000       4.947000  
1 1 1 1  32 31 o 25.64000 2.005000  -0.5565000     4.010000  
1 1 1 1  32 33 o 27.03000 3.575000  -2.506000      7.150000  
1 1 1 1  32 35 f 10.56000 3.661000  8.823000       7.323000  
1 1 1 1  32 37 o 5.013000 1.737000  0.7699000      3.475000  
1 1 1 1  33 0  o 16.63000 5.819000  0.000000       0.000000  
1 1 1 1  33 2  o 27.46000 3.723000  2.949000       7.446000  
1 1 1 1  33 4  o 34.37000 2.518000  -1.916000      5.035000  
1 1 1 1  33 6  o 32.22000 2.569000  0.1233000      5.139000  
1 1 1 1  33 8  o 20.53000 3.816000  -2.860000      7.633000  
1 1 1 1  33 10 o 25.85000 3.717000  -4.252000      7.434000  
1 1 1 1  33 12 o 20.70000 4.328000  7.145000       8.657000  
1 1 1 1  33 14 o 44.63000 2.398000  3.149000       4.797000  
1 1 1 1  33 16 o 22.83000 4.564000  -7.629000      9.129000  
1 1 1 1  33 18 o 14.19000 4.225000  -4.993000      8.450000  
1 1 1 1  33 20 o 52.06000 2.223000  1.850000       4.447000  
1 1 1 1  33 22 o 64.90000 2.790000  -3.761000      5.580000  
1 1 1 1  33 24 o 8.645000 2.943000  2.677000       5.886000  
1 1 1 1  33 26 o 17.78000 3.518000  -1.787000      7.037000  
1 1 1 1  33 28 o 29.65000 2.455000  1.855000       4.910000  
1 1 1 1  33 30 o 10.63000 3.046000  1.144000       6.093000  
1 1 1 1  33 32 o 18.24000 2.572000  -1.633000      5.144000  
1 1 1 1  33 34 o 10.21000 3.184000  3.737000       6.369000  
1 1 1 1  33 36 o 14.43000 2.005000  -0.8004000     4.010000  
1 1 1 1  34 1  o 43.62000 2.266000  7.433000       4.531000  
1 1 1 1  34 3  o 74.36000 1.694000  -0.2093000     3.389000  
1 1 1 1  34 5  f 44.50000 2.155000  -0.5580000     4.309000  
1 1 1 1  34 7  o 24.85000 3.519000  -0.7935000     7.038000  
1 1 1 1  34 9  o 56.06000 1.813000  -3.182000      3.626000  
1 1 1 1  34 11 o 55.01000 1.921000  0.6729000      3.843000  
1 1 1 1  34 13 o 21.07000 4.029000  -2.221000      8.057000  
1 1 1 1  34 15 o 19.08000 4.416000  -0.4961000     8.831000  
1 1 1 1  34 17 o 43.86000 2.140000  0.7573000      4.279000  
1 1 1 1  34 19 o 23.52000 6.051000  -5.689000      12.10000  
1 1 1 1  34 21 o 19.77000 4.032000  4.500000       8.063000  
1 1 1 1  34 27 o 12.76000 3.509000  -5.205000      7.017000  
1 1 1 1  34 29 o 10.67000 3.028000  -0.2334000     6.055000  
1 1 1 1  34 31 o 21.91000 2.211000  1.784000       4.422000  
1 1 1 1  34 33 o 26.56000 2.034000  3.245000       4.068000  
1 1 1 1  34 35 o 6.538000 2.213000  1.297000       4.426000  
1 1 1 1  35 0  o 84.06000 2.369000  0.000000       0.000000  
1 1 1 1  35 2  o 71.83000 1.926000  -0.3395000     3.852000  
1 1 1 1  35 4  f 15.95000 4.122000  -3.141000      8.244000  
1 1 1 1  35 6  o 33.93000 2.702000  -2.176000      5.404000  
1 1 1 1  35 8  o 24.46000 3.525000  0.3252000      7.050000  
1 1 1 1  35 10 o 47.04000 2.059000  2.475000       4.118000  
1 1 1 1  35 12 o 29.15000 3.302000  0.8543000      6.603000  
1 1 1 1  35 14 o 57.92000 1.975000  -3.346000      3.950000  
1 1 1 1  35 16 o 19.41000 4.782000  -1.197000      9.564000  
1 1 1 1  35 18 o 12.78000 3.939000  -0.6219000     7.878000  
1 1 1 1  35 20 o 8.814000 2.958000  2.072000       5.917000  
1 1 1 1  35 22 o 73.43000 1.591000  -4.226000      3.183000  
1 1 1 1  35 24 o 7.462000 2.531000  -1.072000      5.062000  
1 1 1 1  35 26 o 16.99000 5.039000  9.603000       10.08000  
1 1 1 1  35 28 o 12.45000 3.689000  2.215000       7.377000  
1 1 1 1  35 30 o 17.50000 2.801000  -6.451000      5.603000  
1 1 1 1  35 32 o 28.40000 1.952000  1.087000       3.904000  
1 1 1 1  35 34 o 6.576000 3.166000  ?              ?         
1 1 1 1  36 1  o 16.03000 4.273000  0.3745000      8.546000  
1 1 1 1  36 3  o 31.50000 3.051000  1.306000       6.102000  
1 1 1 1  36 5  o 33.69000 2.804000  0.1082000E-01  5.608000  
1 1 1 1  36 7  o 23.07000 3.738000  -1.542000      7.475000  
1 1 1 1  36 9  o 21.87000 3.990000  4.624000       7.980000  
1 1 1 1  36 11 o 47.40000 2.295000  -0.2306000     4.589000  
1 1 1 1  36 13 o 44.94000 2.713000  1.136000       5.425000  
1 1 1 1  36 15 o 17.81000 4.725000  -0.8503000     9.451000  
1 1 1 1  36 17 o 9.104000 2.977000  0.5836000      5.954000  
1 1 1 1  36 21 o 7.727000 3.694000  ?              ?         
1 1 1 1  36 23 o 16.92000 2.387000  5.015000       4.775000  
1 1 1 1  36 25 o 24.41000 5.136000  -4.231000      10.27000  
1 1 1 1  36 27 o 17.98000 3.772000  8.026000       7.544000  
1 1 1 1  36 29 o 21.83000 2.978000  -1.417000      5.955000  
1 1 1 1  36 31 o 8.590000 2.695000  0.7563000      5.389000  
1 1 1 1  36 33 o 6.858000 2.342000  2.720000       4.684000  
1 1 1 1  37 0  o 18.75000 7.118000  0.000000       0.000000  
1 1 1 1  37 2  o 37.84000 2.539000  -2.385000      5.078000  
1 1 1 1  37 4  o 36.07000 2.624000  3.256000       5.247000  
1 1 1 1  37 6  o 34.48000 2.852000  -0.4780000     5.705000  
1 1 1 1  37 8  o 48.10000 2.461000  1.847000       4.923000  
1 1 1 1  37 10 o 28.67000 3.822000  3.370000       7.644000  
1 1 1 1  37 12 o 16.68000 4.654000  3.356000       9.308000  
1 1 1 1  37 14 o 28.26000 2.632000  6.503000       5.265000  
1 1 1 1  37 18 o 71.92000 1.366000  2.807000       2.732000  
1 1 1 1  37 22 o 59.51000 2.086000  4.298000       4.172000  
1 1 1 1  37 24 o 26.55000 3.526000  -1.204000      7.052000  
1 1 1 1  37 26 o 29.06000 2.537000  -4.973000      5.073000  
1 1 1 1  37 28 o 23.07000 4.723000  -1.115000      9.446000  
1 1 1 1  37 30 o 13.59000 3.174000  4.099000       6.347000  
1 1 1 1  37 32 o 34.98000 1.506000  3.923000       3.011000  
1 1 1 1  38 1  o 16.32000 4.466000  -1.102000      8.932000  
1 1 1 1  38 3  o 13.39000 4.134000  1.430000       8.269000  
1 1 1 1  38 5  o 16.01000 4.559000  -3.266000      9.119000  
1 1 1 1  38 7  o 15.43000 4.502000  -2.236000      9.004000  
1 1 1 1  38 9  o 32.29000 4.204000  4.751000       8.407000  
1 1 1 1  38 11 o 11.80000 3.579000  0.4107000      7.158000  
1 1 1 1  38 15 o 86.25000 2.351000  -0.8750000     4.701000  
1 1 1 1  38 19 f 8.304000 2.501000  -0.5178000     5.001000  
1 1 1 1  38 21 o 17.79000 4.450000  -1.072000      8.900000  
1 1 1 1  38 23 o 12.92000 3.546000  -4.186000      7.091000  
1 1 1 1  38 25 o 13.02000 3.448000  2.437000       6.896000  
1 1 1 1  38 27 o 11.45000 3.517000  -1.051000      7.034000  
1 1 1 1  38 29 o 6.616000 2.280000  0.7560000      4.560000  
1 1 1 1  38 31 o 18.40000 3.415000  -10.91000      6.830000  
1 1 1 1  39 0  o 19.71000 7.763000  0.000000       0.000000  
1 1 1 1  39 2  o 23.57000 3.768000  -6.466000      7.536000  
1 1 1 1  39 4  o 17.07000 3.867000  -3.633000      7.734000  
1 1 1 1  39 6  o 9.308000 3.141000  1.353000       6.282000  
1 1 1 1  39 8  o 11.85000 3.740000  2.565000       7.479000  
1 1 1 1  39 12 o 64.39000 1.310000  3.604000       2.621000  
1 1 1 1  39 16 o 6.878000 2.272000  -0.3863000     4.545000  
1 1 1 1  39 18 o 15.82000 4.558000  -3.487000      9.116000  
1 1 1 1  39 20 o 18.43000 4.749000  -1.463000      9.498000  
1 1 1 1  39 22 o 30.42000 2.238000  -2.703000      4.475000  
1 1 1 1  39 24 o 42.40000 2.114000  1.097000       4.228000  
1 1 1 1  39 26 o 31.53000 2.899000  -0.8746000     5.798000  
1 1 1 1  39 28 o 9.221000 2.881000  2.568000       5.762000  
1 1 1 1  39 30 o 8.229000 2.578000  1.873000       5.156000  
1 1 1 1  40 5  o 30.64000 4.786000  21.20000       9.572000  
1 1 1 1  40 7  o 65.42000 1.419000  -0.9040000     2.838000  
1 1 1 1  40 9  o 36.13000 1.665000  -0.7793000     3.330000  
1 1 1 1  40 11 o 14.96000 5.871000  ?              ?         
1 1 1 1  40 13 o 15.25000 2.722000  8.187000       5.444000  
1 1 1 1  40 15 o 43.67000 2.780000  1.003000       5.560000  
1 1 1 1  40 17 o 18.09000 4.545000  2.996000       9.090000  
1 1 1 1  40 19 o 19.49000 3.963000  6.053000       7.926000  
1 1 1 1  40 21 o 9.729000 3.092000  -0.9169000     6.185000  
1 1 1 1  40 23 o 24.72000 3.526000  -0.2333000     7.052000  
1 1 1 1  40 25 o 8.724000 2.789000  2.580000       5.579000  
1 1 1 1  40 27 o 4.981000 1.751000  0.5715000      3.501000  
1 1 1 1  40 29 o 15.36000 3.884000  -2.936000      7.769000  
1 1 1 1  41 8  o 5.842000 2.030000  -1.011000      4.061000  
1 1 1 1  41 10 o 24.99000 5.068000  0.3094000      10.14000  
1 1 1 1  41 12 o 16.26000 4.631000  -3.415000      9.263000  
1 1 1 1  41 14 o 16.18000 4.545000  -1.875000      9.090000  
1 1 1 1  41 16 o 13.17000 4.049000  -2.733000      8.098000  
1 1 1 1  41 18 o 14.74000 3.938000  2.402000       7.875000  
1 1 1 1  41 20 o 16.90000 4.451000  3.047000       8.902000  
1 1 1 1  41 22 o 20.90000 3.797000  1.606000       7.593000  
1 1 1 1  41 24 o 7.212000 2.496000  0.5169000      4.993000  
1 1 1 1  41 26 o 41.05000 1.380000  -1.980000      2.761000  
1 1 1 1  42 1  o 13.60000 4.410000  -2.987000      8.820000  
1 1 1 1  42 3  o 15.59000 5.063000  1.224000       10.13000  
1 1 1 1  42 5  o 23.92000 5.436000  5.076000       10.87000  
1 1 1 1  42 7  o 17.37000 5.129000  -1.431000      10.26000  
1 1 1 1  42 9  o 34.61000 4.214000  8.964000       8.429000  
1 1 1 1  42 11 o 45.28000 3.115000  -11.28000      6.229000  
1 1 1 1  42 13 o 9.840000 3.170000  -0.6622000     6.340000  
1 1 1 1  42 15 o 13.02000 4.074000  -4.104000      8.149000  
1 1 1 1  42 17 o 19.92000 4.366000  1.839000       8.732000  
1 1 1 1  42 19 o 14.02000 4.139000  -1.601000      8.277000  
1 1 1 1  42 21 o 7.441000 2.484000  0.4126000      4.967000  
1 1 1 1  42 23 o 7.438000 2.610000  0.6805000      5.219000  
1 1 1 1  42 25 o 5.204000 1.806000  -0.3981000     3.612000  
1 1 1 1  43 0  o 15.96000 6.812000  0.000000       0.000000  
1 1 1 1  43 2  o 23.62000 5.456000  0.9865000      10.91000  
1 1 1 1  43 4  o 39.73000 3.563000  0.8027000      7.125000  
1 1 1 1  43 6  o 33.11000 3.964000  1.453000       7.928000  
1 1 1 1  43 8  o 17.55000 3.962000  8.943000       7.923000  
1 1 1 1  43 10 o 19.85000 3.735000  14.82000       7.471000  
1 1 1 1  43 12 o 11.68000 3.659000  2.742000       7.318000  
1 1 1 1  43 14 o 18.24000 4.360000  4.216000       8.721000  
1 1 1 1  43 16 o 17.62000 4.323000  5.044000       8.645000  
1 1 1 1  43 18 o 13.78000 3.125000  2.600000       6.249000  
1 1 1 1  43 20 o 9.049000 2.849000  1.365000       5.699000  
1 1 1 1  43 22 o 37.32000 1.407000  2.694000       2.813000  
1 1 1 1  44 1  o 15.00000 4.195000  -3.814000      8.391000  
1 1 1 1  44 3  o 21.15000 4.150000  -10.94000      8.300000  
1 1 1 1  44 5  o 14.36000 4.154000  -1.178000      8.308000  
1 1 1 1  44 7  o 13.37000 3.943000  0.8955000      7.885000  
1 1 1 1  44 9  o 15.58000 4.602000  2.601000       9.204000  
1 1 1 1  44 11 o 13.28000 4.119000  2.130000       8.238000  
1 1 1 1  44 13 o 15.14000 4.451000  -0.9436000     8.902000  
1 1 1 1  44 15 o 8.724000 2.815000  -0.4618000     5.630000  
1 1 1 1  44 17 o 9.144000 2.890000  4.543000       5.779000  
1 1 1 1  44 19 o 27.23000 1.534000  -3.022000      3.069000  
1 1 1 1  44 21 o 8.183000 2.302000  1.775000       4.605000  
1 1 1 1  45 0  o 37.73000 4.519000  0.000000       0.000000  
1 1 1 1  45 2  o 14.56000 4.393000  0.9603000      8.786000  
1 1 1 1  45 4  o 20.33000 4.966000  -8.235000      9.932000  
1 1 1 1  45 6  o 17.11000 4.530000  2.586000       9.059000  
1 1 1 1  45 8  o 15.53000 4.386000  -2.035000      8.772000  
1 1 1 1  45 10 o 13.76000 3.317000  0.7596000      6.634000  
1 1 1 1  45 12 o 8.867000 2.873000  0.6534000      5.746000  
1 1 1 1  45 14 o 7.303000 2.536000  0.2692000      5.073000  
1 1 1 1  45 16 o 26.02000 2.759000  2.442000       5.518000  
1 1 1 1  45 18 o 6.833000 2.365000  1.652000       4.729000  
1 1 1 1  46 1  o 10.83000 3.316000  -4.092000      6.632000  
1 1 1 1  46 3  o 9.994000 3.164000  0.7001000      6.328000  
1 1 1 1  46 5  o 14.41000 4.195000  4.273000       8.390000  
1 1 1 1  46 7  o 8.229000 2.742000  -0.4594000     5.483000  
1 1 1 1  46 9  o 7.951000 2.700000  0.3542000      5.400000  
1 1 1 1  46 13 o 36.06000 1.512000  1.409000       3.024000  
1 1 1 1  46 15 o 5.607000 1.946000  -0.2949000     3.893000  
1 1 1 1  47 2  f 7.510000 2.658000  -1.695000      5.315000  
1 1 1 1  47 4  o 8.553000 4.259000  ?              ?         
1 1 1 1  47 6  o 9.221000 2.659000  2.614000       5.319000  
1 1 1 1  47 8  o 35.44000 1.267000  0.8892000      2.534000  
1 1 1 1  47 10 o 11.95000 2.941000  6.080000       5.882000  
1 1 1 1  48 1  o 10.23000 2.845000  -0.4092000     5.691000  
1 1 1 1  48 3  o 6.563000 2.220000  -0.1929000     4.441000  
1 1 1 1  48 5  o 11.38000 3.103000  -0.5179000E-01 6.206000  
1 1 1 2  0  0  o 103.3000 2.643000  0.000000       0.000000  
1 1 1 2  0  2  o 20.68000 0.4137000 0.000000       0.000000  
1 1 1 2  0  4  o 47.19000 0.8631000 0.000000       0.000000  
1 1 1 2  0  6  o 6.529000 1.026000  0.000000       0.000000  
1 1 1 2  0  8  o 45.84000 0.8746000 0.000000       0.000000  
1 1 1 2  0  10 o 28.31000 0.6726000 0.000000       0.000000  
1 1 1 2  0  12 o 14.82000 1.003000  0.000000       0.000000  
1 1 1 2  0  14 o 14.64000 1.047000  0.000000       0.000000  
1 1 1 2  0  16 o 51.52000 1.027000  0.000000       0.000000  
1 1 1 2  0  18 o 13.78000 1.752000  0.000000       0.000000  
1 1 1 2  0  20 o 176.0000 4.497000  0.000000       0.000000  
1 1 1 2  0  22 o 153.4000 2.780000  0.000000       0.000000  
1 1 1 2  0  24 o 22.23000 1.413000  0.000000       0.000000  
1 1 1 2  0  26 o 6.102000 2.808000  0.000000       0.000000  
1 1 1 2  0  28 o 41.08000 1.616000  0.000000       0.000000  
1 1 1 2  0  30 o 24.56000 1.394000  0.000000       0.000000  
1 1 1 2  0  32 o 58.69000 1.449000  0.000000       0.000000  
1 1 1 2  0  34 o 49.29000 1.289000  0.000000       0.000000  
1 1 1 2  0  36 o 79.05000 1.980000  0.000000       0.000000  
1 1 1 2  0  38 o 39.89000 1.377000  0.000000       0.000000  
1 1 1 2  0  40 o 6.946000 2.817000  0.000000       0.000000  
1 1 1 2  0  42 o 14.35000 2.872000  0.000000       0.000000  
1 1 1 2  0  44 o 33.79000 2.416000  0.000000       0.000000  
1 1 1 2  0  46 o 19.93000 2.458000  0.000000       0.000000  
1 1 1 2  0  48 o 7.676000 3.145000  0.000000       0.000000  
1 1 1 2  0  50 o 5.945000 2.781000  0.000000       0.000000  
1 1 1 2  1  1  o 69.64000 0.8899000 1.326000       1.780000  
1 1 1 2  1  3  o 62.98000 0.8078000 1.474000       1.616000  
1 1 1 2  1  5  o 43.66000 0.6224000 -0.5096000     1.245000  
1 1 1 2  1  7  o 42.96000 0.5781000 -0.6234000     1.156000  
1 1 1 2  1  9  o 121.6000 1.554000  -2.204000      3.108000  
1 1 1 2  1  11 o 131.5000 1.680000  -3.808000      3.360000  
1 1 1 2  1  13 o 53.10000 0.7290000 0.1762000      1.458000  
1 1 1 2  1  15 o 76.95000 1.008000  1.735000       2.015000  
1 1 1 2  1  17 o 34.31000 0.5894000 0.6688000      1.179000  
1 1 1 2  1  19 o 57.70000 0.9261000 -2.006000      1.852000  
1 1 1 2  1  21 o 18.12000 0.8536000 -1.759000      1.707000  
1 1 1 2  1  23 o 87.73000 1.251000  -1.783000      2.501000  
1 1 1 2  1  25 o 71.44000 1.444000  -1.189000      2.888000  
1 1 1 2  1  27 o 72.61000 1.423000  0.5200000      2.845000  
1 1 1 2  1  29 o 66.90000 1.159000  -2.758000      2.318000  
1 1 1 2  1  31 o 13.25000 1.719000  -0.8471000     3.438000  
1 1 1 2  1  33 o 45.10000 1.086000  -2.103000      2.171000  
1 1 1 2  1  35 o 92.81000 1.406000  -2.036000      2.813000  
1 1 1 2  1  37 o 31.67000 1.157000  -0.9592000     2.315000  
1 1 1 2  1  39 o 72.01000 1.357000  -0.8671000     2.715000  
1 1 1 2  1  41 o 26.78000 1.129000  0.2060000      2.257000  
1 1 1 2  1  43 o 29.57000 1.369000  -3.240000      2.738000  
1 1 1 2  1  45 o 17.63000 1.906000  -1.700000      3.813000  
1 1 1 2  1  47 o 24.72000 1.342000  1.995000       2.684000  
1 1 1 2  1  49 o 26.97000 1.810000  -1.735000      3.621000  
1 1 1 2  1  51 o 39.97000 1.296000  -2.167000      2.592000  
1 1 1 2  2  0  o 161.1000 2.897000  0.000000       0.000000  
1 1 1 2  2  2  o 105.6000 1.347000  2.055000       2.695000  
1 1 1 2  2  4  o 74.75000 0.9594000 -0.3723000     1.919000  
1 1 1 2  2  6  o 75.67000 1.052000  -0.5748000     2.104000  
1 1 1 2  2  8  o 100.0000 1.480000  -1.352000      2.960000  
1 1 1 2  2  10 o 65.43000 0.8567000 0.4794000      1.713000  
1 1 1 2  2  12 f 71.83000 0.9420000 0.9214000      1.884000  
1 1 1 2  2  14 o 36.55000 0.5776000 -0.4454000     1.155000  
1 1 1 2  2  16 o 43.09000 0.6420000 0.5428000      1.284000  
1 1 1 2  2  18 o 58.09000 0.8014000 0.1809000E-01  1.603000  
1 1 1 2  2  20 o 125.1000 1.612000  2.776000       3.224000  
1 1 1 2  2  22 o 71.25000 1.041000  0.2244000      2.083000  
1 1 1 2  2  24 o 45.31000 0.8610000 2.368000       1.722000  
1 1 1 2  2  26 o 24.43000 1.516000  5.139000       3.033000  
1 1 1 2  2  28 o 38.16000 0.9917000 0.7867000E-01  1.983000  
1 1 1 2  2  30 o 63.09000 1.299000  1.710000       2.597000  
1 1 1 2  2  32 f 104.4000 1.795000  4.331000       3.591000  
1 1 1 2  2  34 o 111.4000 1.511000  -1.323000      3.021000  
1 1 1 2  2  36 o 59.62000 1.064000  -3.087000      2.129000  
1 1 1 2  2  38 o 43.37000 0.9650000 -2.707000      1.930000  
1 1 1 2  2  40 f 20.29000 1.607000  0.9822000      3.213000  
1 1 1 2  2  42 o 56.37000 1.217000  1.109000       2.435000  
1 1 1 2  2  44 o 48.85000 1.476000  -3.534000      2.953000  
1 1 1 2  2  46 o 18.30000 1.728000  -0.3200000     3.456000  
1 1 1 2  2  48 o 28.60000 1.354000  -3.217000      2.708000  
1 1 1 2  2  50 o 13.13000 3.637000  -0.8778000     7.274000  
1 1 1 2  3  1  f 145.7000 1.856000  -4.740000      3.712000  
1 1 1 2  3  3  o 102.1000 1.347000  -0.1628000     2.693000  
1 1 1 2  3  5  o 98.86000 1.267000  -0.2253000     2.534000  
1 1 1 2  3  7  o 184.5000 2.719000  -1.082000      5.438000  
1 1 1 2  3  9  o 28.59000 0.7246000 0.4748000      1.449000  
1 1 1 2  3  11 o 153.6000 2.264000  2.715000       4.529000  
1 1 1 2  3  13 o 44.19000 0.6350000 1.491000       1.270000  
1 1 1 2  3  15 o 45.03000 0.6529000 -0.2275000     1.306000  
1 1 1 2  3  17 o 52.18000 0.7309000 1.446000       1.462000  
1 1 1 2  3  19 o 80.96000 1.226000  2.928000       2.453000  
1 1 1 2  3  21 o 101.7000 1.530000  1.414000       3.060000  
1 1 1 2  3  23 o 113.5000 1.602000  -1.086000      3.204000  
1 1 1 2  3  25 f 55.71000 1.010000  2.235000       2.020000  
1 1 1 2  3  27 o 45.10000 1.093000  3.115000       2.187000  
1 1 1 2  3  29 o 80.21000 1.310000  3.420000       2.621000  
1 1 1 2  3  31 o 29.87000 1.327000  -1.621000      2.653000  
1 1 1 2  3  33 o 26.20000 1.577000  3.209000       3.154000  
1 1 1 2  3  35 o 102.2000 1.433000  0.8653000      2.865000  
1 1 1 2  3  37 o 16.39000 1.435000  -0.6186000     2.870000  
1 1 1 2  3  39 o 40.53000 0.9595000 -0.5805000     1.919000  
1 1 1 2  3  41 o 32.46000 1.257000  -2.627000      2.514000  
1 1 1 2  3  43 o 29.34000 1.765000  -2.068000      3.531000  
1 1 1 2  3  45 o 31.63000 1.272000  -0.6135000     2.544000  
1 1 1 2  3  47 o 23.89000 1.268000  -1.535000      2.537000  
1 1 1 2  3  49 o 16.91000 1.810000  0.3938000      3.621000  
1 1 1 2  3  51 o 50.23000 1.254000  0.6678000      2.507000  
1 1 1 2  4  0  o 48.10000 0.9007000 0.000000       0.000000  
1 1 1 2  4  2  o 97.74000 1.250000  -1.427000      2.499000  
1 1 1 2  4  4  f 72.18000 0.9312000 0.7640000E-01  1.862000  
1 1 1 2  4  6  o 110.6000 1.416000  -2.851000      2.832000  
1 1 1 2  4  8  o 103.1000 1.530000  -0.3540000     3.060000  
1 1 1 2  4  10 o 60.13000 0.9287000 -1.606000      1.857000  
1 1 1 2  4  12 o 51.93000 0.9635000 -0.9110000     1.927000  
1 1 1 2  4  14 o 74.14000 0.9786000 1.108000       1.957000  
1 1 1 2  4  16 o 38.89000 0.7331000 0.2594000      1.466000  
1 1 1 2  4  18 o 96.70000 1.648000  6.064000       3.296000  
1 1 1 2  4  20 o 62.51000 0.9851000 1.298000       1.970000  
1 1 1 2  4  22 o 146.7000 2.036000  2.498000       4.073000  
1 1 1 2  4  24 o 62.18000 1.037000  -0.6080000     2.073000  
1 1 1 2  4  26 o 76.40000 1.454000  3.466000       2.908000  
1 1 1 2  4  28 o 76.84000 1.366000  -4.556000      2.732000  
1 1 1 2  4  30 o 43.84000 0.9042000 0.5426000      1.808000  
1 1 1 2  4  32 o 38.61000 1.232000  -3.763000      2.465000  
1 1 1 2  4  34 o 78.13000 1.351000  3.635000       2.702000  
1 1 1 2  4  36 o 38.58000 1.001000  2.763000       2.001000  
1 1 1 2  4  38 o 54.36000 1.014000  0.2614000      2.028000  
1 1 1 2  4  40 f 14.56000 1.533000  2.319000       3.066000  
1 1 1 2  4  42 o 18.10000 1.477000  2.188000       2.955000  
1 1 1 2  4  44 o 18.87000 3.377000  -1.679000      6.753000  
1 1 1 2  4  46 o 36.07000 1.443000  -1.202000      2.886000  
1 1 1 2  4  48 o 13.69000 2.676000  0.8579000      5.353000  
1 1 1 2  4  50 o 9.397000 2.888000  1.248000       5.775000  
1 1 1 2  5  1  o 164.6000 2.098000  3.956000       4.196000  
1 1 1 2  5  3  o 141.8000 1.808000  -3.665000      3.615000  
1 1 1 2  5  5  o 42.44000 0.5948000 0.3199000      1.190000  
1 1 1 2  5  7  o 68.41000 0.9283000 1.584000       1.857000  
1 1 1 2  5  9  o 58.28000 0.8433000 -0.4748000     1.687000  
1 1 1 2  5  11 o 43.97000 0.7452000 0.8373000      1.490000  
1 1 1 2  5  13 o 88.41000 1.336000  0.2359000      2.672000  
1 1 1 2  5  15 o 28.52000 1.063000  2.345000       2.126000  
1 1 1 2  5  17 o 51.43000 1.096000  -0.1893000     2.192000  
1 1 1 2  5  19 o 11.28000 0.7945000 -0.6472000     1.589000  
1 1 1 2  5  21 o 9.432000 1.106000  -0.9748000E-01 2.212000  
1 1 1 2  5  23 o 68.78000 0.9975000 0.9001000      1.995000  
1 1 1 2  5  25 o 103.6000 1.714000  3.431000       3.429000  
1 1 1 2  5  27 o 40.58000 0.9641000 -0.8061000     1.928000  
1 1 1 2  5  29 o 67.63000 1.093000  -1.362000      2.186000  
1 1 1 2  5  31 o 25.72000 0.9250000 -2.240000      1.850000  
1 1 1 2  5  33 o 67.04000 1.249000  1.833000       2.498000  
1 1 1 2  5  35 f 57.36000 1.204000  1.154000       2.409000  
1 1 1 2  5  37 o 79.87000 1.223000  1.772000       2.447000  
1 1 1 2  5  39 o 37.32000 0.9348000 -1.343000      1.870000  
1 1 1 2  5  41 o 29.01000 1.010000  -1.112000      2.020000  
1 1 1 2  5  43 o 17.38000 1.857000  1.531000       3.713000  
1 1 1 2  5  45 o 16.29000 1.812000  1.236000       3.624000  
1 1 1 2  5  47 f 19.00000 2.202000  -2.403000      4.404000  
1 1 1 2  5  49 o 20.21000 4.997000  -0.2740000     9.994000  
1 1 1 2  5  51 o 26.04000 2.217000  5.007000       4.434000  
1 1 1 2  6  0  o 52.34000 1.007000  0.000000       0.000000  
1 1 1 2  6  2  o 98.51000 1.268000  -0.5023000     2.536000  
1 1 1 2  6  4  o 56.03000 0.7510000 1.240000       1.502000  
1 1 1 2  6  6  o 80.65000 1.048000  -0.5822000     2.096000  
1 1 1 2  6  8  o 66.13000 0.9103000 2.465000       1.821000  
1 1 1 2  6  10 o 50.18000 0.7378000 -1.207000      1.476000  
1 1 1 2  6  12 o 51.04000 0.8537000 0.1366000      1.707000  
1 1 1 2  6  14 o 40.00000 0.7544000 0.8129000      1.509000  
1 1 1 2  6  16 o 63.85000 0.9441000 1.933000       1.888000  
1 1 1 2  6  18 o 37.98000 0.6774000 3.665000       1.355000  
1 1 1 2  6  20 o 27.15000 0.6096000 0.4232000      1.219000  
1 1 1 2  6  22 o 92.64000 1.567000  3.685000       3.135000  
1 1 1 2  6  24 o 100.3000 1.648000  7.228000       3.296000  
1 1 1 2  6  26 o 58.66000 1.228000  1.012000       2.455000  
1 1 1 2  6  28 f 99.95000 1.466000  0.9524000      2.933000  
1 1 1 2  6  30 o 40.80000 0.8994000 -0.5680000     1.799000  
1 1 1 2  6  32 o 90.60000 1.388000  1.245000       2.777000  
1 1 1 2  6  34 o 43.33000 0.8958000 -0.3787000     1.792000  
1 1 1 2  6  36 o 13.72000 2.304000  3.536000       4.609000  
1 1 1 2  6  38 o 12.44000 1.571000  0.9865000E-01  3.142000  
1 1 1 2  6  40 o 41.13000 0.9636000 1.819000       1.927000  
1 1 1 2  6  42 o 37.05000 1.082000  -1.342000      2.164000  
1 1 1 2  6  44 f 9.890000 2.379000  2.979000       4.759000  
1 1 1 2  6  46 o 17.75000 1.541000  -1.056000      3.083000  
1 1 1 2  6  48 o 15.44000 1.734000  1.403000       3.468000  
1 1 1 2  6  50 o 7.296000 2.374000  -2.789000      4.747000  
1 1 1 2  7  1  o 143.4000 1.832000  -0.8900000     3.663000  
1 1 1 2  7  3  o 165.2000 2.109000  -3.871000      4.218000  
1 1 1 2  7  5  o 93.06000 1.203000  -2.459000      2.406000  
1 1 1 2  7  7  o 20.22000 0.5479000 0.3690000      1.096000  
1 1 1 2  7  9  o 95.97000 1.288000  -1.694000      2.576000  
1 1 1 2  7  11 o 23.59000 0.6692000 -1.534000      1.338000  
1 1 1 2  7  13 o 19.85000 0.5624000 0.8886000      1.125000  
1 1 1 2  7  15 o 27.58000 0.6162000 -0.7815000     1.232000  
1 1 1 2  7  17 o 116.5000 2.354000  2.206000       4.709000  
1 1 1 2  7  19 o 155.2000 2.316000  -4.903000      4.632000  
1 1 1 2  7  21 o 79.47000 1.484000  2.998000       2.969000  
1 1 1 2  7  23 o 22.94000 0.7771000 2.038000       1.554000  
1 1 1 2  7  25 o 80.72000 1.285000  2.977000       2.571000  
1 1 1 2  7  27 o 51.98000 0.9578000 -1.860000      1.916000  
1 1 1 2  7  29 o 50.79000 0.9758000 -1.529000      1.952000  
1 1 1 2  7  31 o 135.7000 1.917000  3.971000       3.834000  
1 1 1 2  7  33 o 73.48000 1.248000  2.573000       2.495000  
1 1 1 2  7  35 o 57.29000 0.9725000 -1.386000      1.945000  
1 1 1 2  7  37 o 22.89000 1.904000  -0.4638000     3.808000  
1 1 1 2  7  39 o 22.80000 2.085000  -3.383000      4.169000  
1 1 1 2  7  41 o 31.06000 0.9799000 1.238000       1.960000  
1 1 1 2  7  43 o 15.20000 2.212000  -2.592000      4.423000  
1 1 1 2  7  45 o 36.57000 1.143000  -0.3659000     2.286000  
1 1 1 2  7  47 o 25.00000 1.172000  0.8071000      2.344000  
1 1 1 2  7  49 o 36.61000 1.082000  -1.879000      2.165000  
1 1 1 2  7  51 o 6.509000 3.116000  ?              ?         
1 1 1 2  8  0  f 181.6000 3.275000  0.000000       0.000000  
1 1 1 2  8  2  o 60.84000 0.8244000 0.8667000      1.649000  
1 1 1 2  8  4  o 126.9000 1.630000  0.8019000      3.260000  
1 1 1 2  8  6  o 147.8000 1.890000  0.6920000E-01  3.779000  
1 1 1 2  8  8  o 14.47000 0.7372000 -1.318000      1.474000  
1 1 1 2  8  10 o 65.15000 0.8904000 -1.531000      1.781000  
1 1 1 2  8  12 o 32.92000 0.7658000 0.1932000      1.532000  
1 1 1 2  8  14 o 12.49000 2.031000  0.2775000      4.062000  
1 1 1 2  8  16 o 30.26000 1.759000  -3.212000      3.518000  
1 1 1 2  8  18 o 135.0000 1.887000  -2.978000      3.775000  
1 1 1 2  8  20 o 120.7000 1.638000  -4.749000      3.276000  
1 1 1 2  8  22 o 34.24000 0.8897000 -0.7391000     1.779000  
1 1 1 2  8  24 o 88.24000 1.560000  -1.727000      3.121000  
1 1 1 2  8  26 o 130.4000 1.968000  -7.087000      3.937000  
1 1 1 2  8  28 o 85.36000 1.273000  1.123000       2.547000  
1 1 1 2  8  30 o 70.09000 1.083000  2.316000       2.166000  
1 1 1 2  8  32 o 42.73000 0.9322000 1.222000       1.864000  
1 1 1 2  8  34 o 38.86000 0.9228000 -0.3064000     1.846000  
1 1 1 2  8  36 o 47.52000 0.9571000 0.7166000      1.914000  
1 1 1 2  8  38 o 18.71000 2.095000  1.371000       4.190000  
1 1 1 2  8  40 o 27.70000 1.945000  -0.2330000     3.889000  
1 1 1 2  8  42 o 45.38000 1.131000  -4.637000      2.262000  
1 1 1 2  8  44 o 20.93000 1.383000  0.4822000E-02  2.767000  
1 1 1 2  8  46 o 51.50000 1.442000  3.241000       2.885000  
1 1 1 2  8  48 o 5.946000 1.829000  0.5373000      3.657000  
1 1 1 2  8  50 o 31.95000 1.104000  -3.610000      2.208000  
1 1 1 2  9  1  o 47.22000 0.7017000 0.5813000      1.403000  
1 1 1 2  9  3  o 146.2000 1.871000  1.959000       3.742000  
1 1 1 2  9  5  o 84.66000 1.111000  1.437000       2.221000  
1 1 1 2  9  7  f 74.80000 1.001000  -0.1884000     2.003000  
1 1 1 2  9  9  o 34.46000 0.6800000 1.298000       1.360000  
1 1 1 2  9  11 f 42.45000 0.7288000 -0.6939000E-01 1.458000  
1 1 1 2  9  13 o 59.82000 1.249000  -6.711000      2.498000  
1 1 1 2  9  15 o 64.18000 1.114000  0.2069000      2.227000  
1 1 1 2  9  17 o 25.80000 0.5625000 3.226000       1.125000  
1 1 1 2  9  19 o 99.10000 1.426000  0.5140000      2.851000  
1 1 1 2  9  21 o 81.07000 1.179000  3.138000       2.357000  
1 1 1 2  9  23 o 75.49000 1.405000  1.037000       2.810000  
1 1 1 2  9  25 o 34.56000 1.241000  -1.923000      2.482000  
1 1 1 2  9  27 o 61.57000 1.137000  1.626000       2.274000  
1 1 1 2  9  29 o 74.33000 1.261000  -4.050000      2.522000  
1 1 1 2  9  31 o 86.48000 1.241000  0.1247000      2.481000  
1 1 1 2  9  33 o 18.99000 0.8278000 2.577000       1.656000  
1 1 1 2  9  35 o 27.11000 0.8605000 1.156000       1.721000  
1 1 1 2  9  37 o 16.46000 1.058000  -0.4101000     2.116000  
1 1 1 2  9  39 o 42.72000 1.325000  0.3269000      2.650000  
1 1 1 2  9  41 o 33.83000 1.741000  -3.104000      3.482000  
1 1 1 2  9  43 o 60.37000 1.444000  2.009000       2.889000  
1 1 1 2  9  45 f 36.28000 1.045000  -0.1912000     2.090000  
1 1 1 2  9  47 o 20.65000 1.100000  0.2633000      2.201000  
1 1 1 2  9  49 o 6.950000 1.903000  0.1968000      3.807000  
1 1 1 2  10 0  o 50.41000 1.049000  0.000000       0.000000  
1 1 1 2  10 2  o 59.19000 0.8252000 0.5820000E-01  1.650000  
1 1 1 2  10 4  o 42.59000 0.6895000 -0.4924000     1.379000  
1 1 1 2  10 6  o 9.112000 1.618000  -1.453000      3.235000  
1 1 1 2  10 8  f 77.54000 1.194000  -0.6658000     2.387000  
1 1 1 2  10 10 o 37.95000 0.7741000 -2.159000      1.548000  
1 1 1 2  10 12 f 37.62000 0.8402000 0.7600000      1.680000  
1 1 1 2  10 14 o 47.63000 0.9029000 -5.065000      1.806000  
1 1 1 2  10 16 o 29.21000 0.7718000 0.8655000      1.544000  
1 1 1 2  10 18 o 77.23000 1.058000  -0.8249000     2.115000  
1 1 1 2  10 20 o 41.80000 0.8443000 0.2939000      1.689000  
1 1 1 2  10 22 o 87.24000 1.384000  -3.389000      2.768000  
1 1 1 2  10 24 o 119.5000 2.077000  -0.9424000     4.153000  
1 1 1 2  10 26 o 40.86000 1.132000  0.5766000      2.265000  
1 1 1 2  10 28 o 19.37000 1.194000  -1.125000      2.387000  
1 1 1 2  10 30 o 41.23000 1.149000  -0.7230000     2.299000  
1 1 1 2  10 32 o 66.58000 1.148000  1.770000       2.296000  
1 1 1 2  10 34 o 28.38000 0.9830000 2.359000       1.966000  
1 1 1 2  10 36 o 15.92000 2.996000  -4.564000      5.992000  
1 1 1 2  10 38 o 53.71000 1.100000  -0.8914000     2.201000  
1 1 1 2  10 40 o 15.44000 2.436000  7.700000       4.871000  
1 1 1 2  10 42 o 45.87000 1.861000  -4.103000      3.722000  
1 1 1 2  10 44 o 9.930000 2.112000  1.307000       4.224000  
1 1 1 2  10 46 o 19.17000 1.090000  2.354000       2.181000  
1 1 1 2  10 48 o 27.61000 0.9958000 -0.5420000     1.992000  
1 1 1 2  10 50 o 29.03000 1.311000  3.963000       2.622000  
1 1 1 2  11 1  o 134.6000 1.732000  1.355000       3.464000  
1 1 1 2  11 3  o 131.7000 1.697000  1.361000       3.394000  
1 1 1 2  11 5  o 88.80000 1.355000  -0.1478000     2.710000  
1 1 1 2  11 7  o 61.24000 0.9969000 -1.873000      1.994000  
1 1 1 2  11 9  o 34.62000 0.7665000 -0.6062000     1.533000  
1 1 1 2  11 11 o 60.17000 0.9210000 -0.9323000     1.842000  
1 1 1 2  11 13 o 44.09000 0.7964000 0.4683000      1.593000  
1 1 1 2  11 15 o 100.8000 1.539000  -1.861000      3.079000  
1 1 1 2  11 17 o 57.20000 0.8992000 -4.969000      1.798000  
1 1 1 2  11 19 o 80.53000 1.104000  -1.035000      2.207000  
1 1 1 2  11 21 o 56.64000 0.9869000 -0.5479000     1.974000  
1 1 1 2  11 23 o 29.27000 1.011000  0.6898000      2.022000  
1 1 1 2  11 25 o 6.202000 1.776000  -1.869000      3.551000  
1 1 1 2  11 27 o 8.889000 1.750000  1.011000       3.499000  
1 1 1 2  11 29 o 87.68000 1.409000  1.920000       2.818000  
1 1 1 2  11 31 o 49.90000 1.213000  1.708000       2.426000  
1 1 1 2  11 33 o 27.66000 1.004000  0.8750000E-01  2.008000  
1 1 1 2  11 35 o 45.22000 1.704000  2.150000       3.408000  
1 1 1 2  11 37 o 39.65000 5.662000  12.17000       11.32000  
1 1 1 2  11 39 o 55.44000 1.234000  ?              ?         
1 1 1 2  11 41 o 33.21000 1.880000  1.572000       3.760000  
1 1 1 2  11 43 o 12.16000 3.571000  2.350000       7.142000  
1 1 1 2  11 45 o 17.40000 3.893000  0.9411000      7.786000  
1 1 1 2  11 47 o 18.25000 2.726000  4.856000       5.452000  
1 1 1 2  11 49 o 10.83000 2.522000  -5.650000      5.043000  
1 1 1 2  12 0  o 58.54000 1.214000  0.000000       0.000000  
1 1 1 2  12 2  o 109.8000 1.548000  -1.531000      3.096000  
1 1 1 2  12 4  o 47.62000 0.8825000 -1.256000      1.765000  
1 1 1 2  12 6  o 11.83000 1.765000  -0.8762000     3.529000  
1 1 1 2  12 8  o 58.52000 0.9792000 -2.362000      1.958000  
1 1 1 2  12 10 o 56.92000 0.8436000 -0.1984000     1.687000  
1 1 1 2  12 12 o 75.24000 1.197000  2.245000       2.394000  
1 1 1 2  12 14 o 43.48000 0.9050000 -1.174000      1.810000  
1 1 1 2  12 16 o 77.31000 1.169000  -3.608000      2.337000  
1 1 1 2  12 18 o 42.48000 0.8386000 -1.652000      1.677000  
1 1 1 2  12 20 o 64.97000 1.011000  -4.480000      2.023000  
1 1 1 2  12 22 o 46.25000 0.9074000 -2.715000      1.815000  
1 1 1 2  12 24 o 84.38000 1.491000  -3.575000      2.983000  
1 1 1 2  12 26 o 47.60000 1.144000  0.2640000      2.289000  
1 1 1 2  12 28 o 21.27000 1.009000  -1.055000      2.018000  
1 1 1 2  12 30 o 59.71000 0.9947000 1.311000       1.989000  
1 1 1 2  12 32 o 22.55000 0.9507000 -2.433000      1.901000  
1 1 1 2  12 34 o 50.44000 1.265000  -0.5481000     2.530000  
1 1 1 2  12 36 o 12.27000 2.762000  ?              ?         
1 1 1 2  12 38 f 37.67000 2.270000  7.442000       4.540000  
1 1 1 2  12 40 o 14.61000 2.892000  2.823000       5.785000  
1 1 1 2  12 42 o 17.68000 3.526000  -1.578000      7.051000  
1 1 1 2  12 44 o 23.92000 2.155000  -10.38000      4.311000  
1 1 1 2  12 46 o 18.02000 2.933000  3.329000       5.867000  
1 1 1 2  12 48 o 25.04000 1.746000  3.496000       3.491000  
1 1 1 2  12 50 o 7.301000 2.347000  -1.122000      4.694000  
1 1 1 2  13 1  o 63.66000 1.183000  -1.068000      2.366000  
1 1 1 2  13 3  o 44.13000 0.8603000 -0.9442000E-01 1.721000  
1 1 1 2  13 5  o 75.23000 1.188000  -0.5349000     2.377000  
1 1 1 2  13 7  o 38.65000 0.8103000 -1.409000      1.621000  
1 1 1 2  13 9  o 59.90000 0.8842000 -0.4383000     1.768000  
1 1 1 2  13 11 o 47.23000 0.7848000 0.7675000      1.570000  
1 1 1 2  13 13 o 68.40000 0.9688000 -0.6151000     1.938000  
1 1 1 2  13 15 o 47.70000 0.8486000 -0.6136000     1.697000  
1 1 1 2  13 17 o 34.77000 0.8527000 0.8201000E-01  1.705000  
1 1 1 2  13 19 o 92.39000 1.335000  1.920000       2.671000  
1 1 1 2  13 21 o 105.4000 1.583000  5.331000       3.165000  
1 1 1 2  13 23 f 107.9000 1.634000  -3.390000      3.268000  
1 1 1 2  13 25 o 48.57000 0.9570000 -1.874000      1.914000  
1 1 1 2  13 27 f 47.31000 0.9162000 1.430000       1.832000  
1 1 1 2  13 29 o 40.65000 0.8908000 -1.386000      1.782000  
1 1 1 2  13 31 f 8.927000 2.015000  -0.6045000     4.031000  
1 1 1 2  13 33 o 50.93000 0.9419000 3.312000       1.884000  
1 1 1 2  13 35 o 47.19000 1.030000  1.623000       2.059000  
1 1 1 2  13 37 o 33.01000 1.141000  2.306000       2.283000  
1 1 1 2  13 39 o 49.85000 1.259000  2.513000       2.519000  
1 1 1 2  13 41 o 17.81000 3.055000  -6.240000      6.110000  
1 1 1 2  13 43 o 14.14000 3.985000  0.9386000      7.970000  
1 1 1 2  13 45 o 28.26000 2.462000  8.786000       4.924000  
1 1 1 2  13 47 o 13.94000 3.670000  8.127000       7.339000  
1 1 1 2  13 49 o 18.62000 2.491000  -1.921000      4.982000  
1 1 1 2  14 0  o 84.14000 2.263000  0.000000       0.000000  
1 1 1 2  14 2  o 45.10000 1.149000  2.542000       2.298000  
1 1 1 2  14 4  o 63.15000 1.086000  -0.6223000     2.172000  
1 1 1 2  14 6  o 36.23000 0.9079000 -0.4667000     1.816000  
1 1 1 2  14 8  o 41.99000 0.8115000 -1.472000      1.623000  
1 1 1 2  14 10 o 71.69000 1.000000  0.8626000      2.000000  
1 1 1 2  14 12 o 58.48000 0.8692000 -2.252000      1.738000  
1 1 1 2  14 14 o 49.98000 1.024000  0.8795000      2.047000  
1 1 1 2  14 16 o 15.64000 1.012000  3.586000       2.023000  
1 1 1 2  14 18 o 77.01000 1.172000  6.214000       2.343000  
1 1 1 2  14 20 o 99.98000 1.647000  -0.6323000     3.293000  
1 1 1 2  14 22 o 58.48000 1.561000  3.623000       3.122000  
1 1 1 2  14 24 o 75.15000 1.342000  -5.408000      2.685000  
1 1 1 2  14 26 o 35.04000 0.8484000 -5.274000      1.697000  
1 1 1 2  14 28 o 31.82000 0.8829000 -0.3874000     1.766000  
1 1 1 2  14 30 o 48.62000 0.9972000 2.505000       1.994000  
1 1 1 2  14 32 o 47.79000 1.091000  -5.728000      2.182000  
1 1 1 2  14 34 o 37.45000 0.9784000 2.839000       1.957000  
1 1 1 2  14 36 o 40.58000 1.153000  -1.306000      2.305000  
1 1 1 2  14 38 o 9.698000 2.467000  -0.5499000E-01 4.934000  
1 1 1 2  14 40 o 25.52000 2.881000  3.486000       5.763000  
1 1 1 2  14 42 o 8.447000 2.976000  6.314000       5.951000  
1 1 1 2  14 44 o 21.76000 5.469000  7.861000       10.94000  
1 1 1 2  14 46 o 28.16000 2.556000  7.644000       5.113000  
1 1 1 2  14 48 o 21.32000 2.841000  -9.501000      5.682000  
1 1 1 2  15 1  o 75.48000 1.371000  -0.2563000     2.742000  
1 1 1 2  15 3  o 33.16000 1.112000  -0.1382000     2.225000  
1 1 1 2  15 5  o 83.29000 1.133000  0.5406000      2.266000  
1 1 1 2  15 7  f 68.00000 1.069000  0.2501000      2.139000  
1 1 1 2  15 9  o 70.72000 1.094000  1.699000       2.187000  
1 1 1 2  15 11 o 39.18000 1.145000  -3.682000      2.289000  
1 1 1 2  15 13 o 26.78000 1.261000  -0.8216000     2.522000  
1 1 1 2  15 15 o 53.19000 0.9513000 2.555000       1.903000  
1 1 1 2  15 17 o 39.22000 0.8390000 -1.539000      1.678000  
1 1 1 2  15 19 o 60.15000 1.231000  -0.8689000     2.463000  
1 1 1 2  15 21 o 123.5000 3.072000  13.99000       6.144000  
1 1 1 2  15 23 o 17.77000 0.9242000 -1.052000      1.848000  
1 1 1 2  15 25 o 52.03000 1.182000  -2.165000      2.364000  
1 1 1 2  15 27 o 12.53000 1.242000  -0.7390000     2.484000  
1 1 1 2  15 29 o 18.97000 1.030000  -2.596000      2.060000  
1 1 1 2  15 31 o 87.39000 1.453000  2.220000       2.906000  
1 1 1 2  15 33 o 61.55000 1.087000  -1.176000      2.173000  
1 1 1 2  15 35 o 58.61000 1.197000  -1.925000      2.394000  
1 1 1 2  15 37 o 38.24000 1.227000  0.7206000      2.454000  
1 1 1 2  15 39 o 35.03000 2.298000  0.2606000      4.597000  
1 1 1 2  15 41 o 9.111000 3.133000  4.630000       6.266000  
1 1 1 2  15 43 o 26.33000 3.394000  -6.847000      6.787000  
1 1 1 2  15 45 o 10.34000 3.206000  2.830000       6.411000  
1 1 1 2  15 47 o 8.798000 2.759000  2.447000       5.518000  
1 1 1 2  15 49 o 9.495000 4.323000  ?              ?         
1 1 1 2  16 0  o 93.57000 1.785000  0.000000       0.000000  
1 1 1 2  16 2  o 31.06000 1.050000  -1.970000      2.099000  
1 1 1 2  16 4  o 99.73000 1.438000  -0.6668000     2.876000  
1 1 1 2  16 6  o 107.5000 1.743000  -0.2529000     3.486000  
1 1 1 2  16 8  f 38.66000 0.9552000 1.764000       1.910000  
1 1 1 2  16 10 o 37.09000 1.027000  -0.3259000     2.055000  
1 1 1 2  16 12 f 56.55000 1.027000  -1.496000      2.054000  
1 1 1 2  16 14 o 74.49000 1.164000  1.028000       2.327000  
1 1 1 2  16 16 o 37.48000 1.279000  -1.347000      2.559000  
1 1 1 2  16 18 o 90.93000 1.924000  -6.964000      3.848000  
1 1 1 2  16 20 o 133.6000 2.175000  2.489000       4.350000  
1 1 1 2  16 22 o 49.79000 2.058000  0.3367000      4.116000  
1 1 1 2  16 24 o 43.57000 0.9966000 -0.5199000     1.993000  
1 1 1 2  16 26 o 74.68000 1.260000  1.013000       2.520000  
1 1 1 2  16 28 o 67.77000 1.223000  -3.338000      2.446000  
1 1 1 2  16 30 o 68.68000 1.498000  -1.323000      2.995000  
1 1 1 2  16 32 o 52.14000 1.203000  5.835000       2.406000  
1 1 1 2  16 34 o 30.03000 1.950000  2.975000       3.900000  
1 1 1 2  16 36 o 73.13000 1.326000  -0.5984000     2.651000  
1 1 1 2  16 38 o 11.08000 3.182000  1.241000       6.365000  
1 1 1 2  16 40 o 64.50000 2.227000  6.424000       4.455000  
1 1 1 2  16 42 o 13.31000 3.742000  5.910000       7.483000  
1 1 1 2  16 44 o 18.57000 4.163000  -10.69000      8.325000  
1 1 1 2  16 46 o 21.15000 2.260000  10.52000       4.521000  
1 1 1 2  16 48 o 33.39000 1.703000  -9.877000      3.407000  
1 1 1 2  17 1  o 67.55000 1.008000  0.6009000      2.016000  
1 1 1 2  17 3  o 33.53000 1.059000  -3.033000      2.118000  
1 1 1 2  17 5  o 72.21000 1.121000  -0.7309000     2.242000  
1 1 1 2  17 7  o 61.54000 1.017000  0.2788000E-01  2.034000  
1 1 1 2  17 9  f 67.72000 1.252000  5.123000       2.503000  
1 1 1 2  17 11 o 85.87000 1.286000  0.4917000      2.573000  
1 1 1 2  17 13 o 33.07000 1.148000  1.894000       2.296000  
1 1 1 2  17 15 o 78.50000 1.148000  0.7433000      2.296000  
1 1 1 2  17 17 f 82.92000 2.105000  0.8402000      4.211000  
1 1 1 2  17 19 o 92.15000 1.902000  -4.031000      3.804000  
1 1 1 2  17 21 o 14.92000 2.570000  -8.874000      5.140000  
1 1 1 2  17 23 o 55.12000 1.398000  4.201000       2.796000  
1 1 1 2  17 25 o 36.85000 1.397000  3.562000       2.795000  
1 1 1 2  17 27 o 56.82000 1.520000  5.362000       3.040000  
1 1 1 2  17 29 o 80.37000 1.442000  5.205000       2.883000  
1 1 1 2  17 31 o 56.91000 1.172000  1.398000       2.344000  
1 1 1 2  17 33 o 39.45000 1.211000  -1.558000      2.421000  
1 1 1 2  17 35 o 44.00000 1.229000  4.658000       2.459000  
1 1 1 2  17 37 o 16.64000 2.793000  0.5087000      5.587000  
1 1 1 2  17 39 o 12.00000 3.601000  11.19000       7.203000  
1 1 1 2  17 41 o 18.35000 3.129000  8.687000       6.258000  
1 1 1 2  17 43 o 30.65000 3.620000  3.070000       7.240000  
1 1 1 2  17 45 f 11.46000 3.285000  7.080000       6.571000  
1 1 1 2  17 47 o 10.33000 4.357000  ?              ?         
1 1 1 2  18 0  o 11.25000 3.352000  0.000000       0.000000  
1 1 1 2  18 2  o 31.25000 1.064000  -1.078000      2.127000  
1 1 1 2  18 4  o 150.4000 1.948000  -2.474000      3.895000  
1 1 1 2  18 6  o 60.01000 1.066000  3.238000       2.132000  
1 1 1 2  18 8  o 65.01000 1.083000  -1.461000      2.165000  
1 1 1 2  18 10 o 143.3000 2.011000  3.002000       4.023000  
1 1 1 2  18 12 o 105.3000 1.748000  0.4423000      3.496000  
1 1 1 2  18 14 o 96.36000 1.462000  -4.033000      2.924000  
1 1 1 2  18 16 o 55.90000 1.608000  3.853000       3.216000  
1 1 1 2  18 18 f 96.98000 2.603000  -15.50000      5.206000  
1 1 1 2  18 20 o 124.0000 1.871000  1.715000       3.741000  
1 1 1 2  18 22 o 45.31000 1.610000  3.891000       3.221000  
1 1 1 2  18 24 o 51.25000 1.343000  -1.706000      2.686000  
1 1 1 2  18 26 o 72.94000 1.654000  4.116000       3.309000  
1 1 1 2  18 28 o 51.10000 1.249000  -1.626000      2.498000  
1 1 1 2  18 30 o 9.787000 2.398000  -4.133000      4.797000  
1 1 1 2  18 32 o 31.13000 1.320000  -2.712000      2.639000  
1 1 1 2  18 34 o 50.79000 1.209000  3.458000       2.419000  
1 1 1 2  18 36 o 40.94000 1.984000  1.471000       3.968000  
1 1 1 2  18 38 o 8.495000 3.900000  ?              ?         
1 1 1 2  18 40 o 10.15000 3.147000  11.34000       6.293000  
1 1 1 2  18 42 o 26.93000 3.121000  3.088000       6.242000  
1 1 1 2  18 44 o 37.44000 2.586000  1.045000       5.171000  
1 1 1 2  18 46 o 21.40000 3.203000  -3.339000      6.405000  
1 1 1 2  18 48 o 17.92000 4.393000  ?              ?         
1 1 1 2  19 1  f 128.5000 1.689000  0.3400000      3.377000  
1 1 1 2  19 3  o 44.74000 1.062000  -0.2009000     2.124000  
1 1 1 2  19 5  f 59.60000 1.007000  -4.083000      2.013000  
1 1 1 2  19 7  o 89.26000 1.244000  0.7226000      2.488000  
1 1 1 2  19 9  o 83.80000 1.378000  1.156000       2.755000  
1 1 1 2  19 11 o 43.19000 1.284000  2.857000       2.568000  
1 1 1 2  19 13 o 64.27000 1.398000  1.023000       2.796000  
1 1 1 2  19 15 o 79.55000 1.477000  -1.527000      2.955000  
1 1 1 2  19 17 o 169.7000 2.647000  -0.8067000     5.295000  
1 1 1 2  19 19 o 66.43000 1.409000  -1.497000      2.818000  
1 1 1 2  19 21 o 58.48000 1.220000  2.796000       2.440000  
1 1 1 2  19 23 o 41.04000 1.291000  6.112000       2.583000  
1 1 1 2  19 25 o 40.72000 1.779000  -0.9107000     3.559000  
1 1 1 2  19 27 o 54.45000 1.124000  1.455000       2.249000  
1 1 1 2  19 29 o 26.84000 0.9225000 0.6329000      1.845000  
1 1 1 2  19 31 o 49.79000 1.162000  -1.008000      2.324000  
1 1 1 2  19 33 o 47.96000 1.149000  0.8586000      2.299000  
1 1 1 2  19 35 o 17.70000 1.464000  -0.2881000E-01 2.928000  
1 1 1 2  19 37 o 29.87000 1.499000  -0.7805000     2.998000  
1 1 1 2  19 39 o 15.77000 3.746000  21.85000       7.491000  
1 1 1 2  19 41 o 39.12000 2.514000  2.048000       5.028000  
1 1 1 2  19 43 o 24.55000 4.589000  7.374000       9.177000  
1 1 1 2  19 45 o 25.43000 3.432000  10.95000       6.863000  
1 1 1 2  19 47 o 32.36000 2.613000  -9.591000      5.225000  
1 1 1 2  20 0  o 27.18000 1.946000  0.000000       0.000000  
1 1 1 2  20 2  o 42.75000 1.042000  -0.4005000     2.084000  
1 1 1 2  20 4  o 94.88000 1.312000  0.3516000      2.624000  
1 1 1 2  20 6  o 13.72000 2.508000  -1.460000      5.017000  
1 1 1 2  20 8  o 40.33000 1.210000  -1.477000      2.419000  
1 1 1 2  20 10 o 20.75000 2.389000  0.5975000      4.779000  
1 1 1 2  20 12 f 110.9000 1.677000  1.705000       3.354000  
1 1 1 2  20 14 o 116.0000 1.796000  7.938000       3.592000  
1 1 1 2  20 16 o 118.3000 2.055000  -9.151000      4.110000  
1 1 1 2  20 18 o 99.73000 1.909000  1.218000       3.818000  
1 1 1 2  20 20 f 34.73000 2.441000  2.689000       4.882000  
1 1 1 2  20 22 o 20.98000 1.468000  -2.310000      2.936000  
1 1 1 2  20 24 o 65.25000 1.337000  -0.3242000     2.673000  
1 1 1 2  20 26 o 49.90000 1.684000  6.740000       3.369000  
1 1 1 2  20 28 o 51.52000 1.313000  -2.402000      2.626000  
1 1 1 2  20 30 o 26.18000 0.9556000 0.5509000      1.911000  
1 1 1 2  20 32 o 60.40000 1.262000  0.6582000      2.524000  
1 1 1 2  20 34 o 34.24000 1.063000  1.361000       2.125000  
1 1 1 2  20 36 o 14.08000 2.165000  2.942000       4.330000  
1 1 1 2  20 38 o 60.55000 2.165000  -1.452000      4.329000  
1 1 1 2  20 40 o 43.82000 1.501000  6.091000       3.001000  
1 1 1 2  20 42 o 31.23000 2.768000  -0.9445000     5.537000  
1 1 1 2  20 44 o 15.45000 3.770000  4.044000       7.541000  
1 1 1 2  20 46 o 19.66000 1.843000  1.214000       3.687000  
1 1 1 2  21 1  o 23.45000 1.622000  1.016000       3.244000  
1 1 1 2  21 3  o 127.7000 1.691000  0.4496000E-01  3.381000  
1 1 1 2  21 5  o 50.86000 1.080000  -1.547000      2.160000  
1 1 1 2  21 7  o 102.4000 1.447000  -0.3261000     2.894000  
1 1 1 2  21 9  o 90.87000 1.356000  -3.401000      2.713000  
1 1 1 2  21 11 o 113.1000 1.601000  -3.479000      3.202000  
1 1 1 2  21 13 o 43.57000 3.287000  8.792000       6.574000  
1 1 1 2  21 15 o 10.32000 3.749000  -5.501000      7.497000  
1 1 1 2  21 17 o 84.09000 1.967000  3.001000       3.935000  
1 1 1 2  21 19 o 108.0000 1.985000  0.5459000      3.970000  
1 1 1 2  21 21 o 82.84000 1.621000  5.096000       3.242000  
1 1 1 2  21 23 o 114.0000 1.702000  3.479000       3.404000  
1 1 1 2  21 25 o 23.67000 2.196000  6.682000       4.392000  
1 1 1 2  21 27 o 38.33000 1.795000  -1.184000      3.590000  
1 1 1 2  21 29 f 26.60000 0.9550000 -1.306000      1.910000  
1 1 1 2  21 31 o 10.53000 1.668000  -0.5943000     3.335000  
1 1 1 2  21 33 o 45.50000 1.100000  -0.6350000     2.200000  
1 1 1 2  21 35 o 37.90000 1.133000  -0.1581000     2.267000  
1 1 1 2  21 37 o 60.83000 1.498000  3.363000       2.995000  
1 1 1 2  21 39 o 9.564000 2.573000  -1.336000      5.145000  
1 1 1 2  21 41 o 22.25000 1.897000  -0.7143000     3.794000  
1 1 1 2  21 43 o 15.46000 3.739000  3.485000       7.478000  
1 1 1 2  21 45 o 29.06000 3.727000  -4.267000      7.455000  
1 1 1 2  22 0  o 75.84000 1.759000  0.000000       0.000000  
1 1 1 2  22 2  o 67.08000 1.205000  -1.755000      2.410000  
1 1 1 2  22 4  o 71.62000 1.237000  -1.600000      2.473000  
1 1 1 2  22 6  o 64.28000 1.339000  1.585000       2.679000  
1 1 1 2  22 8  o 160.3000 2.142000  -1.437000      4.285000  
1 1 1 2  22 10 o 130.3000 1.941000  -0.1650000     3.883000  
1 1 1 2  22 12 o 90.57000 2.707000  3.595000       5.413000  
1 1 1 2  22 14 o 39.78000 2.120000  -1.503000      4.241000  
1 1 1 2  22 16 o 29.62000 2.191000  7.521000       4.381000  
1 1 1 2  22 18 o 17.81000 2.449000  0.2944000      4.898000  
1 1 1 2  22 20 o 10.65000 2.701000  -1.250000      5.402000  
1 1 1 2  22 22 o 60.49000 1.402000  1.749000       2.803000  
1 1 1 2  22 24 o 43.01000 1.491000  0.8684000      2.982000  
1 1 1 2  22 26 o 51.39000 1.511000  -6.436000      3.023000  
1 1 1 2  22 28 o 44.71000 1.089000  -0.2162000     2.178000  
1 1 1 2  22 30 o 25.26000 0.9743000 -0.2673000     1.949000  
1 1 1 2  22 32 o 67.06000 1.235000  -0.1797000     2.470000  
1 1 1 2  22 34 o 29.60000 0.9965000 -2.531000      1.993000  
1 1 1 2  22 36 o 6.414000 2.087000  -0.8909000     4.174000  
1 1 1 2  22 38 o 15.14000 2.668000  -3.144000      5.335000  
1 1 1 2  22 40 o 32.32000 2.952000  1.211000       5.904000  
1 1 1 2  22 42 o 26.76000 2.655000  -9.882000      5.311000  
1 1 1 2  22 44 o 11.17000 3.146000  -0.1626000     6.292000  
1 1 1 2  22 46 o 11.91000 4.841000  ?              ?         
1 1 1 2  23 1  o 79.92000 1.466000  5.133000       2.932000  
1 1 1 2  23 3  o 34.49000 2.093000  -3.433000      4.185000  
1 1 1 2  23 5  o 30.45000 2.460000  -1.055000      4.920000  
1 1 1 2  23 7  o 48.10000 2.212000  -3.211000      4.424000  
1 1 1 2  23 9  o 125.6000 2.445000  2.158000       4.890000  
1 1 1 2  23 11 o 146.0000 2.329000  5.906000       4.659000  
1 1 1 2  23 13 o 49.68000 1.639000  2.922000       3.278000  
1 1 1 2  23 15 o 87.10000 1.555000  0.9432000      3.109000  
1 1 1 2  23 17 o 67.12000 1.223000  7.284000       2.447000  
1 1 1 2  23 19 o 59.13000 1.288000  1.321000       2.576000  
1 1 1 2  23 21 o 39.34000 1.228000  0.8755000      2.457000  
1 1 1 2  23 23 o 31.08000 1.288000  2.264000       2.576000  
1 1 1 2  23 25 o 21.86000 2.665000  -1.998000      5.331000  
1 1 1 2  23 27 o 28.03000 2.039000  8.255000       4.079000  
1 1 1 2  23 29 o 69.36000 1.309000  2.442000       2.619000  
1 1 1 2  23 31 o 27.76000 0.9780000 0.3111000      1.956000  
1 1 1 2  23 33 o 38.36000 1.052000  0.9575000E-01  2.103000  
1 1 1 2  23 35 o 27.65000 1.372000  0.1049000      2.744000  
1 1 1 2  23 37 o 7.621000 2.598000  4.744000       5.197000  
1 1 1 2  23 39 o 24.67000 1.479000  2.483000       2.959000  
1 1 1 2  23 41 o 7.250000 3.284000  ?              ?         
1 1 1 2  23 43 o 10.99000 3.483000  5.104000       6.966000  
1 1 1 2  23 45 o 23.40000 2.463000  -3.327000      4.926000  
1 1 1 2  24 2  o 36.56000 2.529000  -4.449000      5.058000  
1 1 1 2  24 4  o 88.55000 2.187000  7.153000       4.374000  
1 1 1 2  24 6  o 120.8000 2.382000  -4.157000      4.764000  
1 1 1 2  24 8  o 113.1000 2.275000  2.200000       4.549000  
1 1 1 2  24 10 o 94.89000 1.663000  -0.9265000     3.325000  
1 1 1 2  24 12 o 31.69000 2.536000  5.551000       5.072000  
1 1 1 2  24 14 o 81.49000 1.417000  0.4881000      2.834000  
1 1 1 2  24 16 o 101.1000 1.496000  -0.4610000E-01 2.993000  
1 1 1 2  24 18 o 17.07000 2.782000  6.849000       5.563000  
1 1 1 2  24 20 o 33.43000 1.498000  -0.6491000E-01 2.996000  
1 1 1 2  24 22 o 29.39000 1.527000  0.8635000      3.054000  
1 1 1 2  24 24 o 44.18000 1.227000  1.855000       2.454000  
1 1 1 2  24 26 o 67.89000 1.301000  -0.9705000     2.602000  
1 1 1 2  24 28 o 32.62000 3.021000  -0.5366000     6.042000  
1 1 1 2  24 30 o 11.30000 3.607000  8.847000       7.215000  
1 1 1 2  24 32 o 44.98000 1.179000  0.9679000      2.358000  
1 1 1 2  24 34 o 21.07000 1.409000  -6.385000      2.819000  
1 1 1 2  24 36 o 20.45000 1.870000  0.3713000      3.741000  
1 1 1 2  24 38 o 11.49000 2.342000  -3.622000      4.683000  
1 1 1 2  24 40 o 15.50000 2.145000  -0.5600000     4.289000  
1 1 1 2  24 42 o 27.18000 1.564000  -4.699000      3.128000  
1 1 1 2  24 44 o 26.83000 2.863000  -11.05000      5.727000  
1 1 1 2  25 1  o 92.76000 1.784000  -2.570000      3.568000  
1 1 1 2  25 3  f 81.89000 2.186000  0.3366000      4.371000  
1 1 1 2  25 5  o 48.09000 2.878000  -11.67000      5.755000  
1 1 1 2  25 7  o 101.4000 1.739000  4.372000       3.479000  
1 1 1 2  25 9  o 78.22000 1.918000  -3.132000      3.836000  
1 1 1 2  25 11 o 60.84000 1.573000  -2.368000      3.145000  
1 1 1 2  25 13 o 30.55000 2.040000  -3.128000      4.080000  
1 1 1 2  25 15 o 36.85000 1.766000  -1.479000      3.531000  
1 1 1 2  25 17 o 15.94000 3.219000  1.559000       6.437000  
1 1 1 2  25 19 o 55.88000 1.426000  0.5517000      2.852000  
1 1 1 2  25 21 o 76.06000 1.365000  -1.055000      2.729000  
1 1 1 2  25 23 o 24.60000 1.805000  -7.051000      3.611000  
1 1 1 2  25 25 o 49.71000 1.659000  4.225000       3.319000  
1 1 1 2  25 27 o 14.95000 2.220000  -3.189000      4.441000  
1 1 1 2  25 29 o 12.63000 3.499000  4.902000       6.997000  
1 1 1 2  25 31 o 45.98000 2.074000  -1.043000      4.148000  
1 1 1 2  25 33 o 8.638000 2.937000  1.006000       5.873000  
1 1 1 2  25 35 o 35.65000 1.468000  -3.080000      2.935000  
1 1 1 2  25 37 o 6.644000 2.038000  0.3486000E-01  4.077000  
1 1 1 2  25 39 o 12.62000 2.245000  8.733000       4.490000  
1 1 1 2  25 41 o 10.24000 2.417000  -1.722000      4.835000  
1 1 1 2  25 43 o 25.26000 2.653000  -1.350000      5.306000  
1 1 1 2  26 0  o 76.11000 2.246000  0.000000       0.000000  
1 1 1 2  26 2  o 96.20000 1.846000  -2.600000      3.691000  
1 1 1 2  26 4  f 68.92000 1.729000  -0.9636000     3.459000  
1 1 1 2  26 6  o 67.85000 1.859000  -4.000000      3.718000  
1 1 1 2  26 8  o 80.65000 1.980000  -4.403000      3.960000  
1 1 1 2  26 10 o 113.4000 1.719000  -2.962000      3.438000  
1 1 1 2  26 12 o 18.02000 3.342000  -2.892000      6.683000  
1 1 1 2  26 14 o 62.41000 1.448000  -0.2424000     2.895000  
1 1 1 2  26 16 o 29.22000 2.206000  1.295000       4.411000  
1 1 1 2  26 18 o 58.76000 1.455000  1.797000       2.909000  
1 1 1 2  26 20 o 22.88000 2.367000  3.235000       4.734000  
1 1 1 2  26 22 o 57.32000 1.294000  3.726000       2.589000  
1 1 1 2  26 24 o 64.81000 1.388000  -1.205000      2.776000  
1 1 1 2  26 26 o 34.35000 1.239000  2.490000       2.479000  
1 1 1 2  26 28 o 17.05000 3.251000  -5.474000      6.502000  
1 1 1 2  26 30 o 30.77000 4.718000  -8.985000      9.437000  
1 1 1 2  26 32 o 41.07000 1.294000  -3.521000      2.588000  
1 1 1 2  26 34 o 7.451000 3.719000  ?              ?         
1 1 1 2  26 36 o 47.98000 1.364000  0.3483000      2.728000  
1 1 1 2  26 38 o 6.358000 2.020000  -0.2497000     4.039000  
1 1 1 2  26 40 o 15.60000 2.086000  1.535000       4.173000  
1 1 1 2  26 42 o 8.577000 2.485000  -3.836000      4.970000  
1 1 1 2  27 1  f 31.07000 3.084000  5.543000       6.167000  
1 1 1 2  27 3  o 39.80000 2.133000  -3.636000      4.265000  
1 1 1 2  27 5  o 87.41000 2.129000  -6.163000      4.258000  
1 1 1 2  27 7  o 162.0000 2.337000  -0.5910000     4.674000  
1 1 1 2  27 9  o 80.14000 1.438000  -2.643000      2.876000  
1 1 1 2  27 11 o 48.57000 1.601000  -0.6913000     3.201000  
1 1 1 2  27 13 o 49.66000 1.584000  -3.197000      3.169000  
1 1 1 2  27 15 o 41.92000 1.712000  -1.391000      3.425000  
1 1 1 2  27 17 o 24.72000 2.702000  1.469000       5.404000  
1 1 1 2  27 19 o 43.10000 1.640000  2.899000       3.281000  
1 1 1 2  27 21 o 25.64000 2.124000  3.037000       4.248000  
1 1 1 2  27 23 o 26.54000 1.862000  0.8811000      3.724000  
1 1 1 2  27 25 o 24.97000 1.791000  6.247000       3.583000  
1 1 1 2  27 27 o 14.26000 2.405000  0.3179000      4.810000  
1 1 1 2  27 29 o 18.97000 3.531000  -5.796000      7.063000  
1 1 1 2  27 31 o 34.83000 1.368000  ?              ?         
1 1 1 2  27 33 o 25.52000 1.917000  1.365000       3.835000  
1 1 1 2  27 35 o 65.69000 4.007000  -9.097000      8.014000  
1 1 1 2  27 37 o 14.24000 3.187000  -0.5124000     6.374000  
1 1 1 2  27 39 o 30.37000 1.207000  -2.311000      2.415000  
1 1 1 2  27 41 o 6.527000 1.977000  2.131000       3.953000  
1 1 1 2  27 43 o 20.31000 4.827000  ?              ?         
1 1 1 2  28 0  o 69.50000 2.329000  0.000000       0.000000  
1 1 1 2  28 2  o 36.69000 2.515000  -4.597000      5.029000  
1 1 1 2  28 4  o 15.45000 3.938000  1.628000       7.876000  
1 1 1 2  28 6  o 69.97000 1.687000  -7.875000      3.374000  
1 1 1 2  28 8  o 18.39000 3.735000  -1.766000      7.470000  
1 1 1 2  28 10 o 51.20000 1.599000  -2.608000      3.199000  
1 1 1 2  28 12 o 25.70000 2.769000  2.301000       5.537000  
1 1 1 2  28 14 o 101.1000 1.593000  -3.520000      3.186000  
1 1 1 2  28 16 o 72.26000 1.445000  -1.619000      2.891000  
1 1 1 2  28 18 o 39.94000 1.727000  -1.475000      3.454000  
1 1 1 2  28 20 o 19.91000 3.013000  4.047000       6.026000  
1 1 1 2  28 22 o 12.61000 3.166000  0.5769000      6.331000  
1 1 1 2  28 24 o 38.10000 1.561000  -5.037000      3.122000  
1 1 1 2  28 26 o 14.33000 2.589000  0.6478000      5.178000  
1 1 1 2  28 28 o 39.20000 1.398000  -1.550000      2.796000  
1 1 1 2  28 30 o 16.71000 2.604000  -12.13000      5.208000  
1 1 1 2  28 32 o 7.540000 3.786000  ?              ?         
1 1 1 2  28 34 o 14.05000 2.186000  1.581000       4.372000  
1 1 1 2  28 36 o 29.31000 1.184000  -4.492000      2.368000  
1 1 1 2  28 38 o 15.99000 4.206000  4.450000       8.412000  
1 1 1 2  28 40 o 6.880000 2.356000  1.677000       4.711000  
1 1 1 2  28 42 o 9.228000 2.888000  6.923000       5.776000  
1 1 1 2  29 1  o 41.03000 2.113000  -2.644000      4.226000  
1 1 1 2  29 3  o 22.77000 3.752000  -4.117000      7.505000  
1 1 1 2  29 5  o 97.05000 1.893000  -0.8072000     3.786000  
1 1 1 2  29 7  o 59.87000 1.764000  -1.663000      3.527000  
1 1 1 2  29 9  o 99.65000 1.734000  -2.669000      3.468000  
1 1 1 2  29 11 o 39.91000 2.072000  -2.448000      4.144000  
1 1 1 2  29 13 o 47.71000 1.806000  0.8213000      3.611000  
1 1 1 2  29 15 o 46.82000 1.730000  1.455000       3.459000  
1 1 1 2  29 17 o 26.85000 2.635000  -1.768000      5.270000  
1 1 1 2  29 19 o 20.20000 3.344000  3.892000       6.689000  
1 1 1 2  29 21 o 13.20000 3.361000  -1.587000      6.722000  
1 1 1 2  29 23 o 29.43000 1.727000  -0.4960000     3.453000  
1 1 1 2  29 25 o 17.75000 2.825000  -5.724000      5.650000  
1 1 1 2  29 27 o 56.70000 1.420000  -7.538000      2.841000  
1 1 1 2  29 29 o 43.25000 1.770000  -3.158000      3.540000  
1 1 1 2  29 31 o 10.13000 3.457000  3.403000       6.913000  
1 1 1 2  29 33 o 39.47000 3.297000  -8.233000      6.593000  
1 1 1 2  29 35 o 19.36000 1.384000  -2.324000      2.768000  
1 1 1 2  29 37 o 25.95000 1.225000  0.7516000      2.449000  
1 1 1 2  29 39 o 6.409000 2.053000  -0.7434000     4.105000  
1 1 1 2  29 41 o 7.342000 2.592000  3.840000       5.183000  
1 1 1 2  30 0  o 11.10000 4.951000  0.000000       0.000000  
1 1 1 2  30 2  f 77.13000 1.688000  -0.5062000     3.376000  
1 1 1 2  30 4  o 56.80000 1.816000  -0.4507000E-01 3.632000  
1 1 1 2  30 6  o 30.03000 3.171000  3.217000       6.343000  
1 1 1 2  30 8  o 78.02000 1.916000  -1.168000      3.832000  
1 1 1 2  30 10 o 17.45000 4.156000  5.569000       8.312000  
1 1 1 2  30 12 o 45.04000 2.076000  -1.412000      4.152000  
1 1 1 2  30 14 o 64.97000 1.503000  -5.184000      3.006000  
1 1 1 2  30 16 o 27.06000 2.751000  0.7085000      5.503000  
1 1 1 2  30 18 o 51.26000 1.661000  1.856000       3.323000  
1 1 1 2  30 20 o 75.06000 1.541000  3.371000       3.081000  
1 1 1 2  30 22 o 64.91000 1.478000  -0.2960000     2.956000  
1 1 1 2  30 24 o 20.66000 2.513000  -0.7172000E-01 5.025000  
1 1 1 2  30 26 f 27.89000 1.772000  -0.2969000     3.544000  
1 1 1 2  30 28 o 6.382000 3.118000  ?              ?         
1 1 1 2  30 30 o 22.20000 2.953000  9.848000       5.906000  
1 1 1 2  30 32 o 13.31000 4.150000  8.462000       8.299000  
1 1 1 2  30 34 o 25.31000 1.204000  1.632000       2.409000  
1 1 1 2  30 36 o 29.09000 1.218000  -0.4108000     2.435000  
1 1 1 2  30 38 o 17.78000 1.574000  -3.606000      3.148000  
1 1 1 2  30 40 o 11.86000 2.969000  3.095000       5.938000  
1 1 1 2  31 1  o 20.07000 3.988000  -2.760000      7.975000  
1 1 1 2  31 3  o 21.28000 4.267000  1.571000       8.535000  
1 1 1 2  31 5  f 28.62000 4.049000  -5.125000      8.097000  
1 1 1 2  31 7  o 54.43000 1.928000  -0.2180000     3.857000  
1 1 1 2  31 9  o 51.02000 2.218000  -1.238000      4.437000  
1 1 1 2  31 11 o 49.98000 2.264000  1.822000       4.529000  
1 1 1 2  31 13 o 55.13000 1.703000  -1.390000      3.406000  
1 1 1 2  31 15 o 26.00000 4.097000  -4.079000      8.194000  
1 1 1 2  31 17 o 38.20000 2.677000  -1.990000      5.355000  
1 1 1 2  31 19 o 12.71000 3.583000  -3.671000      7.166000  
1 1 1 2  31 21 o 55.23000 1.548000  -0.5069000     3.097000  
1 1 1 2  31 23 o 28.88000 2.587000  -1.894000      5.173000  
1 1 1 2  31 25 o 14.82000 3.439000  2.457000       6.878000  
1 1 1 2  31 27 o 17.48000 3.555000  1.694000       7.111000  
1 1 1 2  31 29 o 6.357000 3.154000  ?              ?         
1 1 1 2  31 31 o 10.36000 2.883000  1.282000       5.767000  
1 1 1 2  31 33 o 15.05000 2.753000  -5.940000      5.506000  
1 1 1 2  31 35 o 30.79000 4.170000  -11.11000      8.340000  
1 1 1 2  31 37 o 11.97000 2.189000  3.034000       4.379000  
1 1 1 2  31 39 o 22.16000 2.825000  -12.87000      5.649000  
1 1 1 2  32 0  o 48.02000 2.805000  0.000000       0.000000  
1 1 1 2  32 2  o 36.91000 2.997000  -3.542000      5.994000  
1 1 1 2  32 4  o 28.05000 3.517000  -0.5654000     7.034000  
1 1 1 2  32 6  o 64.66000 1.627000  -1.903000      3.255000  
1 1 1 2  32 8  o 38.48000 2.440000  1.234000       4.881000  
1 1 1 2  32 10 o 52.10000 1.837000  -1.629000      3.674000  
1 1 1 2  32 12 o 73.55000 1.843000  1.135000       3.686000  
1 1 1 2  32 14 o 84.44000 2.970000  3.863000       5.940000  
1 1 1 2  32 16 o 56.65000 1.690000  2.756000       3.380000  
1 1 1 2  32 18 o 67.17000 1.860000  -2.875000      3.721000  
1 1 1 2  32 20 o 35.38000 3.193000  -6.784000      6.385000  
1 1 1 2  32 22 o 25.59000 2.735000  -9.551000      5.470000  
1 1 1 2  32 24 o 21.93000 3.668000  -6.178000      7.336000  
1 1 1 2  32 26 o 11.41000 3.696000  5.895000       7.392000  
1 1 1 2  32 28 o 9.557000 3.050000  3.556000       6.099000  
1 1 1 2  32 30 o 11.19000 3.079000  -1.975000      6.158000  
1 1 1 2  32 32 o 10.66000 3.236000  0.1463000      6.472000  
1 1 1 2  32 34 o 17.71000 3.761000  -0.1643000     7.522000  
1 1 1 2  32 36 o 8.237000 2.421000  1.440000       4.842000  
1 1 1 2  32 38 f 25.05000 1.683000  -1.201000      3.367000  
1 1 1 2  33 1  o 21.22000 4.204000  -0.9330000     8.407000  
1 1 1 2  33 3  o 31.26000 2.847000  -0.5164000     5.694000  
1 1 1 2  33 5  o 29.07000 2.856000  0.2581000      5.711000  
1 1 1 2  33 7  o 17.40000 3.998000  -1.218000      7.996000  
1 1 1 2  33 9  o 37.74000 2.216000  1.208000       4.433000  
1 1 1 2  33 11 o 23.49000 3.994000  0.6024000      7.987000  
1 1 1 2  33 13 o 44.96000 2.275000  0.6418000E-01  4.550000  
1 1 1 2  33 15 o 21.70000 4.124000  3.671000       8.247000  
1 1 1 2  33 17 o 29.49000 4.868000  10.73000       9.736000  
1 1 1 2  33 19 o 42.55000 2.404000  1.943000       4.808000  
1 1 1 2  33 21 o 17.07000 5.040000  5.189000       10.08000  
1 1 1 2  33 23 o 12.60000 3.842000  2.861000       7.685000  
1 1 1 2  33 25 o 71.66000 2.790000  -6.712000      5.579000  
1 1 1 2  33 27 o 6.664000 3.220000  ?              ?         
1 1 1 2  33 29 o 11.29000 3.146000  1.431000       6.292000  
1 1 1 2  33 31 o 28.31000 1.975000  4.911000       3.950000  
1 1 1 2  33 33 o 28.37000 4.142000  -9.588000      8.284000  
1 1 1 2  33 35 o 8.352000 2.535000  0.7769000      5.071000  
1 1 1 2  33 37 o 38.86000 2.212000  6.727000       4.424000  
1 1 1 2  34 0  o 25.47000 6.184000  0.000000       0.000000  
1 1 1 2  34 2  o 15.60000 4.059000  -0.9198000     8.119000  
1 1 1 2  34 4  o 12.42000 3.874000  -1.779000      7.748000  
1 1 1 2  34 6  o 38.67000 2.430000  -0.8204000     4.860000  
1 1 1 2  34 8  o 58.28000 1.809000  -2.123000      3.618000  
1 1 1 2  34 10 o 14.61000 3.975000  -1.493000      7.950000  
1 1 1 2  34 12 o 58.50000 1.752000  1.245000       3.505000  
1 1 1 2  34 14 o 55.28000 2.050000  -3.495000      4.100000  
1 1 1 2  34 16 o 25.83000 3.883000  -2.047000      7.766000  
1 1 1 2  34 18 o 33.09000 4.608000  5.197000       9.216000  
1 1 1 2  34 20 o 25.26000 4.669000  8.191000       9.338000  
1 1 1 2  34 24 o 42.06000 1.794000  2.766000       3.588000  
1 1 1 2  34 26 o 7.700000 2.564000  1.229000       5.129000  
1 1 1 2  34 28 o 18.99000 4.398000  -0.4519000     8.795000  
1 1 1 2  34 30 o 24.05000 3.170000  1.180000       6.340000  
1 1 1 2  34 32 o 21.04000 2.421000  1.723000       4.842000  
1 1 1 2  34 34 o 8.718000 2.658000  1.115000       5.316000  
1 1 1 2  34 36 o 25.70000 1.945000  3.090000       3.889000  
1 1 1 2  35 1  o 33.89000 3.419000  2.684000       6.839000  
1 1 1 2  35 3  o 49.78000 2.256000  0.5340000      4.513000  
1 1 1 2  35 5  o 38.84000 2.551000  2.928000       5.102000  
1 1 1 2  35 7  o 36.93000 2.539000  3.514000       5.079000  
1 1 1 2  35 9  o 46.35000 2.122000  -1.461000      4.244000  
1 1 1 2  35 11 o 66.10000 1.721000  0.9425000      3.443000  
1 1 1 2  35 13 o 39.89000 2.760000  2.644000       5.520000  
1 1 1 2  35 15 o 18.20000 4.394000  -2.789000      8.787000  
1 1 1 2  35 17 o 17.12000 4.467000  5.706000       8.935000  
1 1 1 2  35 19 o 25.24000 2.993000  9.249000       5.987000  
1 1 1 2  35 25 o 12.70000 3.747000  0.7227000      7.494000  
1 1 1 2  35 27 o 38.05000 2.284000  -1.109000      4.569000  
1 1 1 2  35 29 o 21.14000 3.616000  -18.16000      7.232000  
1 1 1 2  35 31 o 17.71000 4.113000  -3.232000      8.226000  
1 1 1 2  35 33 o 14.06000 4.541000  9.051000       9.082000  
1 1 1 2  35 35 o 25.20000 2.272000  -3.460000      4.544000  
1 1 1 2  36 0  o 19.29000 7.436000  0.000000       0.000000  
1 1 1 2  36 2  o 21.91000 4.470000  6.561000       8.940000  
1 1 1 2  36 4  o 25.03000 3.819000  -1.910000      7.639000  
1 1 1 2  36 6  o 33.73000 2.856000  -5.604000      5.711000  
1 1 1 2  36 8  o 36.21000 2.686000  0.9823000      5.371000  
1 1 1 2  36 10 o 15.62000 4.211000  1.571000       8.421000  
1 1 1 2  36 12 o 23.38000 3.991000  4.167000       7.982000  
1 1 1 2  36 14 o 35.62000 3.435000  2.411000       6.871000  
1 1 1 2  36 16 o 13.09000 4.051000  -0.5446000     8.102000  
1 1 1 2  36 18 o 9.196000 3.087000  1.543000       6.174000  
1 1 1 2  36 20 o 70.39000 1.590000  4.340000       3.180000  
1 1 1 2  36 22 o 6.107000 2.130000  2.116000       4.260000  
1 1 1 2  36 24 o 33.41000 4.337000  3.039000       8.674000  
1 1 1 2  36 26 o 14.21000 3.774000  0.1390000      7.547000  
1 1 1 2  36 28 o 35.17000 1.819000  4.802000       3.637000  
1 1 1 2  36 30 o 10.79000 3.163000  -0.8074000E-02 6.327000  
1 1 1 2  36 32 o 19.87000 3.139000  6.038000       6.279000  
1 1 1 2  36 34 f 12.90000 3.571000  0.2068000E-01  7.141000  
1 1 1 2  37 1  o 36.44000 2.950000  1.132000       5.901000  
1 1 1 2  37 3  f 20.59000 4.110000  -0.4587000     8.220000  
1 1 1 2  37 5  o 15.01000 4.119000  0.6061000E-01  8.238000  
1 1 1 2  37 7  o 20.11000 4.621000  -0.8594000     9.241000  
1 1 1 2  37 9  o 25.15000 4.090000  7.022000       8.180000  
1 1 1 2  37 11 o 18.24000 4.798000  -0.5554000     9.596000  
1 1 1 2  37 13 o 15.42000 4.444000  -0.3739000     8.887000  
1 1 1 2  37 15 o 7.458000 2.622000  -0.4454000     5.243000  
1 1 1 2  37 17 o 28.09000 4.303000  8.677000       8.606000  
1 1 1 2  37 21 o 10.17000 2.727000  3.815000       5.455000  
1 1 1 2  37 23 o 20.82000 4.154000  -4.211000      8.308000  
1 1 1 2  37 25 o 12.59000 3.751000  -2.045000      7.502000  
1 1 1 2  37 27 o 14.01000 4.104000  -5.144000      8.209000  
1 1 1 2  37 29 o 40.00000 2.736000  8.327000       5.473000  
1 1 1 2  37 31 o 9.992000 2.851000  2.726000       5.702000  
1 1 1 2  37 33 o 27.24000 2.148000  -2.849000      4.296000  
1 1 1 2  38 0  o 16.93000 6.539000  0.000000       0.000000  
1 1 1 2  38 2  o 75.47000 1.924000  2.310000       3.848000  
1 1 1 2  38 4  o 57.06000 2.175000  -1.917000      4.349000  
1 1 1 2  38 6  f 21.32000 4.531000  2.198000       9.062000  
1 1 1 2  38 8  o 50.47000 2.844000  1.344000       5.688000  
1 1 1 2  38 10 o 23.17000 3.062000  6.411000       6.124000  
1 1 1 2  38 14 o 11.72000 5.611000  ?              ?         
1 1 1 2  38 16 o 13.41000 3.383000  -3.207000      6.766000  
1 1 1 2  38 18 o 12.85000 2.838000  1.204000       5.676000  
1 1 1 2  38 20 o 27.73000 3.975000  -0.6472000     7.950000  
1 1 1 2  38 22 o 14.44000 4.261000  0.3560000      8.523000  
1 1 1 2  38 24 o 44.22000 1.966000  0.8800000      3.931000  
1 1 1 2  38 26 o 36.18000 2.304000  5.547000       4.608000  
1 1 1 2  38 28 o 14.79000 2.863000  8.484000       5.726000  
1 1 1 2  38 30 o 6.121000 2.147000  0.5630000      4.293000  
1 1 1 2  38 32 o 13.48000 4.229000  ?              ?         
1 1 1 2  39 1  o 22.87000 3.266000  -4.988000      6.532000  
1 1 1 2  39 3  o 14.72000 3.867000  3.344000       7.734000  
1 1 1 2  39 5  f 11.84000 3.687000  3.600000       7.375000  
1 1 1 2  39 7  o 14.41000 4.071000  4.679000       8.142000  
1 1 1 2  39 11 f 48.37000 2.421000  5.339000       4.842000  
1 1 1 2  39 13 o 17.73000 3.105000  -6.326000      6.211000  
1 1 1 2  39 17 o 16.10000 4.650000  1.433000       9.301000  
1 1 1 2  39 19 o 37.65000 3.245000  7.987000       6.490000  
1 1 1 2  39 21 o 23.28000 3.646000  5.058000       7.292000  
1 1 1 2  39 23 o 24.53000 3.336000  1.396000       6.672000  
1 1 1 2  39 25 o 11.89000 3.601000  0.4030000      7.201000  
1 1 1 2  39 27 o 6.621000 2.261000  0.8775000      4.521000  
1 1 1 2  39 29 o 24.67000 1.725000  0.2122000E-01  3.450000  
1 1 1 2  40 0  o 22.11000 9.499000  0.000000       0.000000  
1 1 1 2  40 2  o 21.39000 6.590000  ?              ?         
1 1 1 2  40 6  o 75.57000 1.943000  5.151000       3.886000  
1 1 1 2  40 8  o 58.60000 1.553000  6.825000       3.107000  
1 1 1 2  40 12 o 7.282000 2.387000  2.923000       4.773000  
1 1 1 2  40 14 o 14.07000 4.437000  -0.3229000     8.874000  
1 1 1 2  40 16 o 20.60000 4.710000  1.481000       9.419000  
1 1 1 2  40 18 o 11.56000 3.599000  -0.9762000     7.197000  
1 1 1 2  40 20 o 22.69000 4.197000  3.660000       8.394000  
1 1 1 2  40 22 o 15.59000 4.220000  -0.8112000     8.439000  
1 1 1 2  40 24 o 11.89000 3.720000  -3.918000      7.440000  
1 1 1 2  40 26 o 7.471000 2.514000  1.998000       5.028000  
1 1 1 2  40 28 o 22.81000 1.771000  1.011000       3.543000  
1 1 1 2  41 3  o 17.28000 7.355000  ?              ?         
1 1 1 2  41 5  o 38.50000 3.195000  2.567000       6.389000  
1 1 1 2  41 7  o 13.04000 2.980000  -6.563000      5.960000  
1 1 1 2  41 9  o 6.083000 2.083000  0.1159000      4.166000  
1 1 1 2  41 11 o 49.16000 2.747000  6.720000       5.494000  
1 1 1 2  41 13 o 42.58000 3.010000  -1.969000      6.020000  
1 1 1 2  41 15 o 24.33000 3.517000  4.267000       7.033000  
1 1 1 2  41 17 o 18.26000 4.827000  -1.179000      9.655000  
1 1 1 2  41 19 o 17.56000 4.314000  5.401000       8.628000  
1 1 1 2  41 21 o 17.49000 4.215000  1.828000       8.430000  
1 1 1 2  41 23 o 12.29000 2.982000  7.743000       5.963000  
1 1 1 2  41 25 o 7.427000 2.515000  -0.5385000     5.030000  
1 1 1 2  41 27 o 11.60000 3.182000  -6.342000      6.364000  
1 1 1 2  42 0  o 18.05000 7.186000  0.000000       0.000000  
1 1 1 2  42 2  o 16.70000 5.108000  -2.346000      10.22000  
1 1 1 2  42 4  o 14.58000 4.675000  -0.7254000     9.350000  
1 1 1 2  42 6  o 20.68000 5.451000  -3.026000      10.90000  
1 1 1 2  42 8  o 18.83000 5.033000  1.911000       10.07000  
1 1 1 2  42 10 o 18.05000 4.992000  0.5070000      9.984000  
1 1 1 2  42 12 o 15.08000 3.996000  3.971000       7.992000  
1 1 1 2  42 14 o 21.84000 4.358000  -1.157000      8.716000  
1 1 1 2  42 16 o 11.48000 3.569000  -0.7820000     7.138000  
1 1 1 2  42 18 o 13.08000 3.954000  0.2617000      7.908000  
1 1 1 2  42 20 o 8.889000 2.805000  1.173000       5.610000  
1 1 1 2  42 22 o 7.069000 2.443000  1.422000       4.887000  
1 1 1 2  42 24 o 39.76000 2.618000  -12.57000      5.236000  
1 1 1 2  43 1  o 22.76000 5.121000  -2.682000      10.24000  
1 1 1 2  43 3  o 22.18000 5.176000  -0.9707000     10.35000  
1 1 1 2  43 5  o 20.25000 4.919000  5.305000       9.838000  
1 1 1 2  43 7  o 12.35000 3.533000  1.924000       7.066000  
1 1 1 2  43 9  o 18.46000 4.078000  8.444000       8.155000  
1 1 1 2  43 11 o 17.76000 3.849000  -2.487000      7.697000  
1 1 1 2  43 13 o 18.25000 4.874000  0.2626000      9.748000  
1 1 1 2  43 15 o 15.36000 4.402000  1.389000       8.805000  
1 1 1 2  43 17 o 12.60000 3.809000  2.821000       7.617000  
1 1 1 2  43 19 o 6.905000 2.390000  0.3349000      4.779000  
1 1 1 2  43 21 f 11.30000 2.784000  -2.460000      5.568000  
1 1 1 2  43 23 o 6.032000 2.020000  -0.1940000     4.039000  
1 1 1 2  44 0  o 18.13000 6.149000  0.000000       0.000000  
1 1 1 2  44 2  o 24.27000 4.434000  -3.443000      8.869000  
1 1 1 2  44 4  o 21.10000 4.897000  -2.008000      9.793000  
1 1 1 2  44 6  f 11.51000 3.571000  2.431000       7.143000  
1 1 1 2  44 8  o 18.29000 4.597000  -1.919000      9.193000  
1 1 1 2  44 10 o 14.62000 4.397000  3.507000       8.794000  
1 1 1 2  44 12 f 21.18000 4.814000  3.412000       9.628000  
1 1 1 2  44 14 o 10.08000 3.165000  -0.4080000     6.329000  
1 1 1 2  44 16 o 7.660000 2.630000  1.312000       5.260000  
1 1 1 2  44 18 o 11.92000 3.885000  3.516000       7.771000  
1 1 1 2  44 20 o 14.53000 2.388000  -6.392000      4.775000  
1 1 1 2  45 1  o 21.00000 4.708000  4.165000       9.416000  
1 1 1 2  45 3  o 18.32000 4.817000  -0.3130000     9.635000  
1 1 1 2  45 5  o 15.52000 4.564000  3.677000       9.128000  
1 1 1 2  45 7  o 13.07000 4.090000  1.187000       8.181000  
1 1 1 2  45 9  f 12.20000 3.852000  -0.3479000E-01 7.703000  
1 1 1 2  45 11 o 10.33000 3.082000  -0.8066000     6.164000  
1 1 1 2  45 13 f 8.379000 2.706000  -2.160000      5.411000  
1 1 1 2  45 15 o 13.49000 6.752000  ?              ?         
1 1 1 2  45 17 f 13.68000 3.243000  6.074000       6.486000  
1 1 1 2  46 0  o 9.575000 4.179000  0.000000       0.000000  
1 1 1 2  46 2  o 9.818000 2.971000  -1.500000      5.943000  
1 1 1 2  46 4  o 14.31000 3.719000  -3.304000      7.439000  
1 1 1 2  46 6  o 9.417000 3.113000  -3.043000      6.226000  
1 1 1 2  46 8  o 14.04000 3.305000  -9.038000      6.610000  
1 1 1 2  46 10 o 7.773000 2.645000  1.543000       5.291000  
1 1 1 2  46 12 o 15.12000 2.643000  9.585000       5.286000  
1 1 1 2  46 14 o 23.00000 2.204000  -2.003000      4.407000  
1 1 1 2  47 1  o 7.592000 2.629000  -0.5132000     5.259000  
1 1 1 2  47 3  f 7.063000 2.485000  0.6504000      4.971000  
1 1 1 2  47 5  o 5.934000 2.035000  1.318000       4.070000  
1 1 1 2  47 7  o 31.81000 1.297000  4.147000       2.595000  
1 1 1 2  47 9  o 35.94000 1.826000  -6.631000      3.651000  
1 1 1 2  47 11 o 8.597000 2.775000  2.004000       5.550000  
1 1 1 2  48 0  o 7.420000 3.405000  0.000000       0.000000  
1 1 1 2  48 2  o 6.647000 2.240000  -0.2501000     4.480000  
1 1 1 2  48 4  o 9.648000 3.927000  ?              ?         
1 1 1 3  0  1  o 13.23000 0.3760000 0.000000       0.000000  
1 1 1 3  0  3  o 87.39000 1.580000  0.000000       0.000000  
1 1 1 3  0  5  o 36.41000 0.7960000 0.000000       0.000000  
1 1 1 3  0  7  f 28.37000 0.5947000 0.000000       0.000000  
1 1 1 3  0  9  o 78.65000 1.435000  0.000000       0.000000  
1 1 1 3  0  11 o 56.49000 1.062000  0.000000       0.000000  
1 1 1 3  0  13 o 50.60000 0.9881000 0.000000       0.000000  
1 1 1 3  0  15 o 87.70000 1.617000  0.000000       0.000000  
1 1 1 3  0  17 o 50.59000 1.482000  0.000000       0.000000  
1 1 1 3  0  19 o 48.08000 1.247000  0.000000       0.000000  
1 1 1 3  0  21 o 152.6000 2.775000  0.000000       0.000000  
1 1 1 3  0  23 o 50.64000 1.480000  0.000000       0.000000  
1 1 1 3  0  25 o 77.88000 2.583000  0.000000       0.000000  
1 1 1 3  0  27 o 119.4000 2.669000  0.000000       0.000000  
1 1 1 3  0  29 o 17.83000 2.015000  0.000000       0.000000  
1 1 1 3  0  31 o 42.96000 1.313000  0.000000       0.000000  
1 1 1 3  0  33 o 47.38000 1.387000  0.000000       0.000000  
1 1 1 3  0  35 o 15.44000 2.037000  0.000000       0.000000  
1 1 1 3  0  37 o 81.28000 2.043000  0.000000       0.000000  
1 1 1 3  0  39 o 18.48000 2.052000  0.000000       0.000000  
1 1 1 3  0  41 o 7.834000 3.056000  0.000000       0.000000  
1 1 1 3  0  43 o 32.63000 1.926000  0.000000       0.000000  
1 1 1 3  0  45 o 9.133000 3.519000  0.000000       0.000000  
1 1 1 3  0  47 o 40.47000 1.524000  0.000000       0.000000  
1 1 1 3  0  49 o 9.158000 3.751000  0.000000       0.000000  
1 1 1 3  0  51 f 41.53000 1.932000  0.000000       0.000000  
1 1 1 3  1  0  o 138.3000 2.498000  0.000000       0.000000  
1 1 1 3  1  2  o 26.62000 0.3683000 0.2589000E-01  0.7366000 
1 1 1 3  1  4  o 24.46000 0.4758000 0.6903000      0.9516000 
1 1 1 3  1  6  o 71.48000 0.9191000 -0.9503000     1.838000  
1 1 1 3  1  8  o 83.12000 1.067000  -0.8430000     2.135000  
1 1 1 3  1  10 o 61.46000 0.8063000 0.3268000E-01  1.613000  
1 1 1 3  1  12 o 17.92000 0.5803000 -0.2816000     1.161000  
1 1 1 3  1  14 o 26.10000 0.5668000 -0.3960000     1.134000  
1 1 1 3  1  16 o 52.65000 0.7454000 1.408000       1.491000  
1 1 1 3  1  18 o 79.05000 1.203000  2.663000       2.407000  
1 1 1 3  1  20 o 56.02000 0.8723000 0.2410000      1.745000  
1 1 1 3  1  22 o 119.2000 1.672000  -2.152000      3.345000  
1 1 1 3  1  24 o 42.93000 1.107000  2.575000       2.215000  
1 1 1 3  1  26 o 80.61000 1.369000  -0.8350000     2.738000  
1 1 1 3  1  28 o 36.65000 1.212000  -2.773000      2.424000  
1 1 1 3  1  30 o 31.68000 0.9715000 0.1832000      1.943000  
1 1 1 3  1  32 o 96.64000 1.412000  3.158000       2.825000  
1 1 1 3  1  34 o 86.95000 1.366000  1.427000       2.731000  
1 1 1 3  1  36 o 45.43000 1.063000  -0.6188000     2.126000  
1 1 1 3  1  38 o 15.75000 1.470000  0.7690000      2.939000  
1 1 1 3  1  40 o 39.36000 1.076000  0.7788000      2.152000  
1 1 1 3  1  42 o 8.718000 2.269000  2.177000       4.537000  
1 1 1 3  1  44 o 17.98000 2.653000  -1.127000      5.307000  
1 1 1 3  1  46 o 10.67000 2.501000  -0.7444000     5.003000  
1 1 1 3  1  48 o 14.97000 2.333000  -0.3817000     4.665000  
1 1 1 3  1  50 o 27.96000 1.418000  0.2463000      2.836000  
1 1 1 3  2  1  o 144.1000 1.841000  -0.7836000     3.681000  
1 1 1 3  2  3  o 60.92000 0.7847000 -2.356000      1.569000  
1 1 1 3  2  5  o 164.2000 2.093000  3.227000       4.185000  
1 1 1 3  2  7  o 139.1000 1.827000  -4.455000      3.654000  
1 1 1 3  2  9  o 77.38000 1.001000  -0.1521000     2.003000  
1 1 1 3  2  11 o 65.98000 0.9390000 1.656000       1.878000  
1 1 1 3  2  13 o 58.54000 0.7896000 -0.9345000     1.579000  
1 1 1 3  2  15 o 18.96000 0.6403000 0.9115000      1.281000  
1 1 1 3  2  17 o 70.42000 0.9371000 1.819000       1.874000  
1 1 1 3  2  19 o 83.22000 1.741000  -1.257000      3.482000  
1 1 1 3  2  21 o 109.5000 1.649000  -0.9590000     3.297000  
1 1 1 3  2  23 o 67.63000 1.052000  2.725000       2.105000  
1 1 1 3  2  25 o 107.5000 1.659000  -3.012000      3.319000  
1 1 1 3  2  27 o 75.13000 1.343000  -2.140000      2.686000  
1 1 1 3  2  29 o 67.30000 1.184000  1.412000       2.367000  
1 1 1 3  2  31 o 57.89000 1.046000  -0.3888000     2.092000  
1 1 1 3  2  33 o 39.96000 0.9792000 -0.2070000     1.958000  
1 1 1 3  2  35 o 14.60000 1.604000  -1.814000      3.208000  
1 1 1 3  2  37 o 31.00000 1.003000  -2.938000      2.005000  
1 1 1 3  2  39 o 26.67000 1.090000  1.358000       2.180000  
1 1 1 3  2  41 o 23.46000 1.445000  -1.952000      2.890000  
1 1 1 3  2  43 o 20.40000 2.337000  3.116000       4.674000  
1 1 1 3  2  45 o 10.71000 2.577000  -0.4614000     5.155000  
1 1 1 3  2  47 o 11.78000 2.295000  0.9238000      4.589000  
1 1 1 3  2  49 o 32.25000 1.551000  4.264000       3.103000  
1 1 1 3  2  51 o 45.14000 1.397000  -1.382000      2.793000  
1 1 1 3  3  0  o 83.97000 1.519000  0.000000       0.000000  
1 1 1 3  3  2  o 69.62000 0.9234000 -0.7527000     1.847000  
1 1 1 3  3  4  o 69.11000 0.8907000 0.4030000      1.781000  
1 1 1 3  3  6  o 105.7000 1.350000  -0.4737000     2.701000  
1 1 1 3  3  8  o 160.5000 2.104000  -5.793000      4.208000  
1 1 1 3  3  10 o 57.85000 0.8344000 -0.4865000     1.669000  
1 1 1 3  3  12 o 89.02000 1.249000  1.747000       2.499000  
1 1 1 3  3  14 o 33.23000 0.6158000 -2.026000      1.232000  
1 1 1 3  3  16 o 64.98000 1.014000  -0.9888000     2.027000  
1 1 1 3  3  18 o 79.38000 1.126000  -0.4122000     2.252000  
1 1 1 3  3  20 o 97.20000 1.277000  0.4432000      2.554000  
1 1 1 3  3  22 f 123.0000 1.722000  3.069000       3.444000  
1 1 1 3  3  24 o 78.28000 1.097000  0.8601000      2.193000  
1 1 1 3  3  26 o 92.14000 1.531000  2.489000       3.062000  
1 1 1 3  3  28 o 51.80000 1.807000  ?              ?         
1 1 1 3  3  30 o 70.39000 1.679000  -0.7733000     3.358000  
1 1 1 3  3  32 o 39.90000 0.8995000 1.255000       1.799000  
1 1 1 3  3  34 o 8.862000 2.026000  -0.3072000     4.052000  
1 1 1 3  3  36 o 26.43000 1.004000  -1.185000      2.007000  
1 1 1 3  3  38 o 18.65000 1.301000  2.501000       2.601000  
1 1 1 3  3  40 o 45.38000 1.002000  -3.281000      2.004000  
1 1 1 3  3  42 o 41.26000 1.062000  -0.4497000     2.124000  
1 1 1 3  3  46 o 42.39000 1.384000  6.399000       2.769000  
1 1 1 3  3  48 o 48.24000 1.177000  0.4464000      2.354000  
1 1 1 3  3  50 o 8.726000 3.815000  ?              ?         
1 1 1 3  4  1  o 41.23000 0.5540000 -0.3173000E-01 1.108000  
1 1 1 3  4  3  o 61.50000 0.7993000 -0.9512000     1.599000  
1 1 1 3  4  5  o 7.534000 0.6629000 -0.2810000     1.326000  
1 1 1 3  4  7  o 77.21000 0.9995000 0.2719000      1.999000  
1 1 1 3  4  9  o 56.34000 0.9944000 -2.784000      1.989000  
1 1 1 3  4  11 o 59.39000 0.9317000 0.3901000      1.863000  
1 1 1 3  4  13 o 64.56000 1.005000  0.9480000      2.011000  
1 1 1 3  4  15 o 37.24000 0.7188000 1.971000       1.438000  
1 1 1 3  4  17 o 34.90000 0.6164000 -0.5228000     1.233000  
1 1 1 3  4  19 o 98.77000 1.644000  1.250000       3.288000  
1 1 1 3  4  21 o 105.2000 1.590000  -4.722000      3.179000  
1 1 1 3  4  23 f 14.54000 0.9183000 1.825000       1.837000  
1 1 1 3  4  25 o 47.04000 1.041000  0.1144000      2.082000  
1 1 1 3  4  27 o 62.54000 1.320000  0.5969000      2.640000  
1 1 1 3  4  29 o 20.00000 1.975000  -1.423000      3.949000  
1 1 1 3  4  31 f 40.44000 1.223000  -4.228000      2.446000  
1 1 1 3  4  33 o 27.44000 0.9965000 1.326000       1.993000  
1 1 1 3  4  35 o 61.71000 1.063000  -1.943000      2.125000  
1 1 1 3  4  37 o 52.96000 1.043000  -0.8376000     2.087000  
1 1 1 3  4  39 o 31.70000 0.9695000 0.1120000      1.939000  
1 1 1 3  4  41 o 22.82000 1.136000  -0.7462000     2.273000  
1 1 1 3  4  43 o 35.44000 1.285000  2.022000       2.571000  
1 1 1 3  4  45 f 32.44000 1.192000  -1.026000      2.384000  
1 1 1 3  4  47 o 9.483000 2.601000  -0.3362000     5.202000  
1 1 1 3  4  49 o 10.72000 3.462000  -6.341000      6.924000  
1 1 1 3  4  51 o 30.79000 2.224000  ?              ?         
1 1 1 3  5  0  o 121.3000 2.197000  0.000000       0.000000  
1 1 1 3  5  2  o 46.78000 0.6288000 0.4347000E-01  1.258000  
1 1 1 3  5  4  o 85.55000 1.101000  -1.216000      2.201000  
1 1 1 3  5  6  o 96.16000 1.282000  1.372000       2.564000  
1 1 1 3  5  8  o 76.78000 0.9975000 -0.5823000E-01 1.995000  
1 1 1 3  5  10 o 42.07000 0.7254000 -0.9618000     1.451000  
1 1 1 3  5  12 o 78.95000 1.200000  0.1161000      2.400000  
1 1 1 3  5  14 o 60.59000 0.9579000 -0.1419000E-01 1.916000  
1 1 1 3  5  16 o 100.9000 1.686000  -2.400000      3.372000  
1 1 1 3  5  18 o 33.92000 1.453000  1.874000       2.906000  
1 1 1 3  5  20 o 26.87000 0.6186000 2.322000       1.237000  
1 1 1 3  5  22 o 53.03000 0.8296000 0.7848000      1.659000  
1 1 1 3  5  24 o 65.81000 1.193000  2.166000       2.386000  
1 1 1 3  5  26 o 39.88000 1.229000  ?              ?         
1 1 1 3  5  28 o 57.77000 1.116000  -2.001000      2.232000  
1 1 1 3  5  30 o 39.51000 1.127000  -4.406000      2.254000  
1 1 1 3  5  32 o 51.76000 1.208000  -3.729000      2.417000  
1 1 1 3  5  34 o 15.21000 1.264000  3.129000       2.528000  
1 1 1 3  5  36 o 48.71000 0.9314000 -0.8304000     1.863000  
1 1 1 3  5  38 f 10.11000 1.802000  -0.2793000     3.604000  
1 1 1 3  5  40 o 56.86000 1.086000  0.1624000E-01  2.173000  
1 1 1 3  5  42 o 16.42000 1.599000  1.335000       3.199000  
1 1 1 3  5  44 o 9.403000 2.357000  6.271000       4.714000  
1 1 1 3  5  46 o 16.18000 1.702000  -0.4880000     3.404000  
1 1 1 3  5  48 o 18.29000 1.592000  -2.228000      3.185000  
1 1 1 3  5  50 o 10.17000 2.124000  5.256000       4.249000  
1 1 1 3  6  1  o 140.6000 1.795000  1.418000       3.589000  
1 1 1 3  6  3  o 91.89000 1.181000  1.381000       2.362000  
1 1 1 3  6  5  o 118.3000 1.514000  -1.332000      3.027000  
1 1 1 3  6  7  o 75.37000 1.015000  -0.8210000     2.030000  
1 1 1 3  6  9  f 41.88000 0.6841000 -2.271000      1.368000  
1 1 1 3  6  11 o 18.73000 0.5805000 2.050000       1.161000  
1 1 1 3  6  13 o 33.87000 0.7439000 -0.1228000     1.488000  
1 1 1 3  6  15 o 99.27000 1.659000  -1.657000      3.318000  
1 1 1 3  6  17 o 42.37000 0.8678000 1.745000       1.736000  
1 1 1 3  6  19 o 121.2000 2.020000  -0.3902000     4.041000  
1 1 1 3  6  21 o 69.72000 1.147000  0.5974000      2.293000  
1 1 1 3  6  23 o 33.10000 0.8933000 2.034000       1.787000  
1 1 1 3  6  25 o 55.31000 1.119000  -0.2367000     2.238000  
1 1 1 3  6  27 o 30.63000 0.9430000 -0.7112000     1.886000  
1 1 1 3  6  29 f 21.82000 0.8803000 -1.272000      1.761000  
1 1 1 3  6  31 o 119.3000 1.781000  -3.745000      3.561000  
1 1 1 3  6  33 o 61.97000 1.260000  -2.573000      2.520000  
1 1 1 3  6  35 o 37.38000 0.8946000 1.201000       1.789000  
1 1 1 3  6  37 f 43.47000 0.9381000 -1.225000      1.876000  
1 1 1 3  6  39 o 33.29000 0.9419000 -0.5061000E-01 1.884000  
1 1 1 3  6  41 f 52.54000 1.100000  -0.2056000     2.200000  
1 1 1 3  6  43 o 33.56000 1.409000  -3.672000      2.818000  
1 1 1 3  6  45 o 8.790000 2.110000  -2.281000      4.220000  
1 1 1 3  6  47 o 30.67000 1.067000  -1.451000      2.135000  
1 1 1 3  6  49 o 31.04000 2.036000  0.2080000      4.071000  
1 1 1 3  6  51 o 11.59000 3.748000  2.200000       7.495000  
1 1 1 3  7  0  f 134.7000 2.434000  0.000000       0.000000  
1 1 1 3  7  2  o 61.04000 0.8126000 1.598000       1.625000  
1 1 1 3  7  4  o 86.68000 1.122000  -1.705000      2.245000  
1 1 1 3  7  6  o 57.42000 0.7750000 -0.4638000     1.550000  
1 1 1 3  7  8  o 6.912000 1.153000  2.963000       2.306000  
1 1 1 3  7  10 o 18.31000 0.6146000 1.299000       1.229000  
1 1 1 3  7  12 o 56.30000 0.9601000 -3.316000      1.920000  
1 1 1 3  7  14 f 91.22000 1.378000  0.6317000      2.756000  
1 1 1 3  7  16 o 105.7000 2.231000  -2.008000      4.461000  
1 1 1 3  7  18 o 59.12000 1.069000  -1.550000      2.137000  
1 1 1 3  7  20 o 73.97000 1.584000  -1.213000      3.167000  
1 1 1 3  7  22 o 41.72000 0.9892000 1.269000       1.978000  
1 1 1 3  7  24 o 40.53000 0.9278000 -2.195000      1.856000  
1 1 1 3  7  26 o 69.69000 1.242000  -1.313000      2.485000  
1 1 1 3  7  28 o 40.23000 0.9267000 0.1906000      1.853000  
1 1 1 3  7  30 o 26.62000 0.8407000 -1.185000      1.681000  
1 1 1 3  7  32 o 18.99000 2.267000  -3.133000      4.535000  
1 1 1 3  7  34 o 33.75000 1.334000  -1.719000      2.668000  
1 1 1 3  7  36 f 94.07000 1.389000  -6.693000      2.778000  
1 1 1 3  7  38 o 15.92000 1.116000  -0.9947000     2.233000  
1 1 1 3  7  40 f 24.38000 0.9376000 -0.5569000     1.875000  
1 1 1 3  7  42 o 59.56000 1.252000  0.1219000      2.505000  
1 1 1 3  7  44 f 35.94000 1.239000  -0.5365000     2.478000  
1 1 1 3  7  46 o 18.89000 2.247000  4.862000       4.494000  
1 1 1 3  7  48 o 17.30000 1.364000  -1.347000      2.728000  
1 1 1 3  7  50 o 6.297000 1.814000  -2.685000      3.628000  
1 1 1 3  8  1  o 123.5000 1.583000  -1.534000      3.165000  
1 1 1 3  8  3  o 160.2000 2.047000  -0.4847000     4.094000  
1 1 1 3  8  5  o 108.9000 1.402000  0.7753000      2.803000  
1 1 1 3  8  7  o 60.16000 0.8241000 -0.3636000     1.648000  
1 1 1 3  8  9  o 17.99000 0.6372000 -0.4428000     1.274000  
1 1 1 3  8  11 o 42.75000 0.8020000 -3.145000      1.604000  
1 1 1 3  8  13 o 64.76000 1.019000  0.2255000      2.038000  
1 1 1 3  8  15 o 72.75000 1.547000  2.218000       3.095000  
1 1 1 3  8  17 o 84.57000 1.463000  4.478000       2.926000  
1 1 1 3  8  19 o 52.54000 1.058000  -1.855000      2.116000  
1 1 1 3  8  21 o 70.36000 1.606000  0.5275000      3.213000  
1 1 1 3  8  23 o 126.7000 2.159000  -2.590000      4.318000  
1 1 1 3  8  25 o 46.31000 1.440000  -2.284000      2.880000  
1 1 1 3  8  27 o 37.48000 1.165000  -0.6456000     2.330000  
1 1 1 3  8  29 o 91.42000 1.466000  -1.264000      2.933000  
1 1 1 3  8  31 o 30.40000 0.8673000 -1.564000      1.735000  
1 1 1 3  8  33 o 43.40000 1.238000  -4.054000      2.476000  
1 1 1 3  8  35 o 21.93000 1.987000  -7.986000      3.974000  
1 1 1 3  8  37 o 12.52000 1.330000  -0.4453000E-01 2.660000  
1 1 1 3  8  39 o 34.63000 0.9086000 -0.6392000     1.817000  
1 1 1 3  8  41 o 43.18000 1.134000  -2.203000      2.269000  
1 1 1 3  8  43 o 67.89000 1.611000  -2.055000      3.222000  
1 1 1 3  8  45 o 38.07000 1.024000  -0.8798000     2.049000  
1 1 1 3  8  47 o 40.07000 1.033000  -1.793000      2.065000  
1 1 1 3  8  49 o 40.58000 1.122000  -2.426000      2.243000  
1 1 1 3  8  51 o 13.24000 2.557000  -7.576000      5.113000  
1 1 1 3  9  0  o 54.01000 1.087000  0.000000       0.000000  
1 1 1 3  9  2  o 96.64000 1.253000  1.929000       2.507000  
1 1 1 3  9  4  o 50.85000 0.7312000 1.085000       1.462000  
1 1 1 3  9  6  o 60.76000 0.8463000 0.2952000      1.693000  
1 1 1 3  9  8  o 66.40000 0.9692000 -0.5521000E-01 1.938000  
1 1 1 3  9  10 o 51.93000 0.8480000 -2.014000      1.696000  
1 1 1 3  9  12 o 54.97000 1.364000  -7.077000      2.729000  
1 1 1 3  9  14 o 51.66000 1.092000  -3.280000      2.185000  
1 1 1 3  9  16 o 95.01000 1.641000  -7.545000      3.281000  
1 1 1 3  9  18 o 79.54000 1.380000  0.4736000      2.760000  
1 1 1 3  9  20 o 12.35000 1.102000  -4.452000      2.204000  
1 1 1 3  9  22 o 91.65000 1.632000  2.692000       3.264000  
1 1 1 3  9  24 f 30.15000 1.228000  -1.009000      2.456000  
1 1 1 3  9  26 o 70.44000 2.235000  -1.525000      4.471000  
1 1 1 3  9  28 o 48.30000 1.175000  0.1967000      2.351000  
1 1 1 3  9  30 o 39.50000 1.512000  -6.538000      3.024000  
1 1 1 3  9  32 o 28.62000 1.937000  -1.181000      3.873000  
1 1 1 3  9  34 o 57.81000 1.189000  -3.771000      2.379000  
1 1 1 3  9  36 o 30.79000 1.876000  -1.370000      3.752000  
1 1 1 3  9  38 o 43.87000 0.9864000 -2.377000      1.973000  
1 1 1 3  9  40 o 35.42000 0.9918000 -0.6043000     1.984000  
1 1 1 3  9  42 o 33.75000 1.134000  1.830000       2.269000  
1 1 1 3  9  44 o 25.09000 1.164000  -3.550000      2.327000  
1 1 1 3  9  46 o 25.78000 1.123000  -3.007000      2.245000  
1 1 1 3  9  48 o 25.29000 1.061000  -3.380000      2.122000  
1 1 1 3  9  50 o 31.21000 0.9850000 3.152000       1.970000  
1 1 1 3  10 1  o 58.68000 0.8224000 -1.327000      1.645000  
1 1 1 3  10 3  o 67.31000 0.9255000 -0.9537000     1.851000  
1 1 1 3  10 5  o 76.27000 1.029000  0.8174000      2.057000  
1 1 1 3  10 7  o 40.03000 0.7612000 0.3297000      1.522000  
1 1 1 3  10 9  o 37.41000 0.8022000 -4.515000      1.604000  
1 1 1 3  10 11 o 70.50000 1.203000  -1.644000      2.407000  
1 1 1 3  10 13 o 86.32000 1.917000  2.515000       3.834000  
1 1 1 3  10 15 o 109.0000 1.484000  4.262000       2.969000  
1 1 1 3  10 17 o 181.7000 2.531000  6.459000       5.061000  
1 1 1 3  10 19 o 197.5000 2.542000  0.2083000      5.084000  
1 1 1 3  10 21 o 45.54000 1.597000  -2.090000      3.195000  
1 1 1 3  10 23 o 101.2000 1.800000  0.3714000      3.600000  
1 1 1 3  10 25 o 82.51000 1.749000  1.961000       3.497000  
1 1 1 3  10 27 o 84.05000 2.254000  -0.2590000     4.509000  
1 1 1 3  10 29 o 135.5000 2.418000  -0.6978000E-01 4.837000  
1 1 1 3  10 31 o 105.7000 2.003000  -2.771000      4.006000  
1 1 1 3  10 33 o 32.12000 1.092000  1.546000       2.183000  
1 1 1 3  10 35 o 14.90000 1.983000  3.002000       3.966000  
1 1 1 3  10 37 o 11.95000 1.892000  8.529000       3.784000  
1 1 1 3  10 39 o 26.80000 3.100000  0.8424000      6.200000  
1 1 1 3  10 41 o 29.42000 2.068000  0.1214000      4.136000  
1 1 1 3  10 43 o 8.781000 4.158000  ?              ?         
1 1 1 3  10 45 o 9.503000 2.646000  -0.8985000     5.293000  
1 1 1 3  10 47 o 28.89000 2.769000  -4.783000      5.538000  
1 1 1 3  10 49 o 6.631000 2.111000  -1.804000      4.221000  
1 1 1 3  11 0  o 100.2000 1.852000  0.000000       0.000000  
1 1 1 3  11 2  f 112.1000 1.455000  0.4751000      2.910000  
1 1 1 3  11 4  o 57.53000 0.9572000 0.1545000      1.914000  
1 1 1 3  11 6  o 55.11000 0.9231000 0.7310000      1.846000  
1 1 1 3  11 8  o 26.42000 0.8206000 -0.8491000     1.641000  
1 1 1 3  11 10 o 76.58000 1.114000  -2.933000      2.228000  
1 1 1 3  11 12 o 35.56000 0.7624000 -2.328000      1.525000  
1 1 1 3  11 14 o 9.412000 1.639000  -0.1567000     3.278000  
1 1 1 3  11 16 o 63.93000 1.175000  -1.109000      2.350000  
1 1 1 3  11 18 o 87.10000 1.373000  -2.898000      2.745000  
1 1 1 3  11 20 o 113.5000 1.505000  -3.526000      3.010000  
1 1 1 3  11 22 o 41.33000 3.930000  0.5601000      7.860000  
1 1 1 3  11 24 o 34.81000 3.777000  -9.945000      7.554000  
1 1 1 3  11 26 o 58.30000 1.246000  -2.452000      2.493000  
1 1 1 3  11 28 o 27.52000 0.9512000 4.389000       1.902000  
1 1 1 3  11 30 o 41.60000 1.640000  5.732000       3.281000  
1 1 1 3  11 32 o 30.41000 2.022000  3.749000       4.044000  
1 1 1 3  11 34 o 30.84000 1.088000  -5.342000      2.176000  
1 1 1 3  11 36 o 12.63000 3.284000  3.022000       6.568000  
1 1 1 3  11 38 o 52.39000 1.635000  1.694000       3.270000  
1 1 1 3  11 40 o 22.32000 2.106000  -1.593000      4.212000  
1 1 1 3  11 42 o 45.02000 3.265000  5.562000       6.531000  
1 1 1 3  11 44 o 30.97000 1.869000  -5.781000      3.739000  
1 1 1 3  11 46 o 27.29000 2.568000  -7.593000      5.136000  
1 1 1 3  11 48 o 21.43000 2.700000  0.2034000      5.400000  
1 1 1 3  11 50 o 14.40000 3.433000  -0.6439000E-01 6.866000  
1 1 1 3  12 1  o 59.78000 0.9516000 -0.5494000     1.903000  
1 1 1 3  12 3  f 76.26000 1.198000  -2.829000      2.395000  
1 1 1 3  12 5  o 58.12000 0.9093000 -0.3897000     1.819000  
1 1 1 3  12 7  o 44.70000 0.8636000 -0.3885000     1.727000  
1 1 1 3  12 9  o 21.76000 0.8536000 -0.4740000     1.707000  
1 1 1 3  12 11 o 47.81000 0.7636000 -0.3083000     1.527000  
1 1 1 3  12 13 o 25.39000 0.7269000 -1.400000      1.454000  
1 1 1 3  12 15 o 119.6000 1.689000  3.442000       3.378000  
1 1 1 3  12 17 o 64.29000 1.038000  -3.831000      2.077000  
1 1 1 3  12 19 o 76.21000 1.114000  -5.718000      2.229000  
1 1 1 3  12 21 o 58.42000 1.031000  0.1361000      2.063000  
1 1 1 3  12 23 o 63.02000 1.483000  1.612000       2.966000  
1 1 1 3  12 25 o 81.88000 2.167000  7.002000       4.334000  
1 1 1 3  12 27 o 106.4000 1.901000  1.930000       3.802000  
1 1 1 3  12 29 f 58.52000 1.749000  0.1439000      3.498000  
1 1 1 3  12 31 o 78.74000 2.396000  4.727000       4.792000  
1 1 1 3  12 33 o 39.46000 1.659000  3.545000       3.318000  
1 1 1 3  12 35 o 41.54000 1.934000  -2.487000      3.867000  
1 1 1 3  12 37 o 23.32000 2.801000  1.567000       5.602000  
1 1 1 3  12 39 o 41.81000 2.004000  -2.211000      4.008000  
1 1 1 3  12 41 o 14.73000 7.165000  ?              ?         
1 1 1 3  12 43 o 39.99000 2.124000  3.287000       4.248000  
1 1 1 3  12 45 o 26.81000 1.806000  5.958000       3.612000  
1 1 1 3  12 47 o 12.71000 2.679000  -1.384000      5.357000  
1 1 1 3  12 49 o 9.056000 2.508000  4.100000       5.016000  
1 1 1 3  13 0  o 89.40000 2.389000  0.000000       0.000000  
1 1 1 3  13 2  o 54.47000 1.285000  -3.344000      2.570000  
1 1 1 3  13 4  o 43.96000 1.017000  -1.890000      2.033000  
1 1 1 3  13 6  o 7.868000 2.041000  0.1643000E-01  4.081000  
1 1 1 3  13 8  o 66.66000 0.9511000 -0.5369000     1.902000  
1 1 1 3  13 10 o 28.43000 0.7824000 -0.4081000     1.565000  
1 1 1 3  13 12 o 66.74000 0.9408000 -0.3637000     1.882000  
1 1 1 3  13 14 o 15.34000 1.628000  -1.409000      3.256000  
1 1 1 3  13 16 o 150.1000 2.005000  1.093000       4.011000  
1 1 1 3  13 18 o 77.01000 1.128000  -4.599000      2.256000  
1 1 1 3  13 20 o 86.84000 1.362000  -6.285000      2.723000  
1 1 1 3  13 22 o 119.5000 1.657000  -0.7705000     3.313000  
1 1 1 3  13 24 o 33.88000 1.570000  -8.685000      3.139000  
1 1 1 3  13 26 o 30.53000 2.412000  7.982000       4.824000  
1 1 1 3  13 28 o 20.21000 3.430000  -4.048000      6.860000  
1 1 1 3  13 30 o 73.31000 2.216000  4.284000       4.432000  
1 1 1 3  13 32 o 16.02000 3.353000  0.5904000      6.707000  
1 1 1 3  13 34 o 30.55000 2.112000  5.594000       4.224000  
1 1 1 3  13 36 o 50.89000 1.772000  -1.980000      3.544000  
1 1 1 3  13 38 o 20.63000 4.895000  9.520000       9.790000  
1 1 1 3  13 40 o 20.50000 3.657000  -5.108000      7.315000  
1 1 1 3  13 42 o 9.106000 4.482000  ?              ?         
1 1 1 3  13 44 o 30.89000 2.108000  8.145000       4.216000  
1 1 1 3  13 46 o 13.75000 3.770000  -1.766000      7.539000  
1 1 1 3  13 48 o 30.01000 2.413000  -0.1511000     4.827000  
1 1 1 3  14 1  f 74.69000 1.717000  -4.570000      3.435000  
1 1 1 3  14 3  o 18.12000 1.272000  -1.232000      2.544000  
1 1 1 3  14 5  o 46.07000 0.8971000 -0.1004000     1.794000  
1 1 1 3  14 7  o 31.85000 0.9936000 -1.636000      1.987000  
1 1 1 3  14 9  o 46.89000 0.8932000 -3.391000      1.786000  
1 1 1 3  14 11 o 83.95000 1.496000  0.2077000      2.992000  
1 1 1 3  14 13 o 30.39000 0.9991000 0.9674000      1.998000  
1 1 1 3  14 15 o 87.23000 1.290000  3.248000       2.580000  
1 1 1 3  14 17 o 45.27000 1.018000  -2.804000      2.035000  
1 1 1 3  14 19 o 195.1000 2.598000  -2.153000      5.196000  
1 1 1 3  14 21 o 87.45000 1.873000  -7.177000      3.745000  
1 1 1 3  14 23 o 55.40000 1.176000  5.474000       2.352000  
1 1 1 3  14 25 o 137.9000 1.976000  -0.4599000     3.952000  
1 1 1 3  14 27 o 87.57000 1.915000  2.711000       3.830000  
1 1 1 3  14 29 o 67.07000 2.243000  -1.780000      4.485000  
1 1 1 3  14 31 o 67.58000 1.888000  4.707000       3.775000  
1 1 1 3  14 33 o 18.53000 4.179000  3.289000       8.359000  
1 1 1 3  14 35 o 38.06000 1.623000  -7.312000      3.246000  
1 1 1 3  14 37 o 39.20000 3.663000  5.109000       7.326000  
1 1 1 3  14 39 f 15.58000 3.450000  -3.499000      6.900000  
1 1 1 3  14 41 o 44.15000 2.346000  6.408000       4.693000  
1 1 1 3  14 43 o 12.79000 3.445000  3.404000       6.890000  
1 1 1 3  14 45 o 21.75000 3.059000  5.432000       6.118000  
1 1 1 3  14 47 o 13.40000 3.255000  3.072000       6.510000  
1 1 1 3  14 49 o 46.87000 1.373000  1.421000       2.745000  
1 1 1 3  15 0  o 64.15000 1.526000  0.000000       0.000000  
1 1 1 3  15 2  o 96.67000 1.392000  0.3854000      2.784000  
1 1 1 3  15 4  o 140.3000 2.228000  -1.957000      4.456000  
1 1 1 3  15 6  o 66.57000 1.062000  -3.221000      2.123000  
1 1 1 3  15 8  o 54.97000 0.9427000 0.8772000E-01  1.885000  
1 1 1 3  15 10 o 79.98000 1.281000  -0.9508000     2.561000  
1 1 1 3  15 12 o 93.97000 1.377000  2.447000       2.754000  
1 1 1 3  15 14 o 104.2000 1.501000  -3.662000      3.001000  
1 1 1 3  15 16 o 71.86000 1.145000  1.618000       2.290000  
1 1 1 3  15 18 f 99.95000 1.501000  -1.506000      3.001000  
1 1 1 3  15 20 o 86.20000 1.605000  -1.786000      3.210000  
1 1 1 3  15 22 o 15.23000 3.907000  -4.993000      7.814000  
1 1 1 3  15 24 o 35.51000 1.797000  -7.842000      3.594000  
1 1 1 3  15 26 o 70.60000 1.296000  1.832000       2.591000  
1 1 1 3  15 28 o 47.89000 1.063000  -2.255000      2.127000  
1 1 1 3  15 30 o 12.02000 3.637000  6.649000       7.275000  
1 1 1 3  15 32 o 45.03000 2.023000  -1.843000      4.046000  
1 1 1 3  15 34 o 24.42000 4.609000  4.944000       9.217000  
1 1 1 3  15 36 o 21.09000 3.039000  -4.833000      6.078000  
1 1 1 3  15 38 f 19.33000 3.426000  2.638000       6.853000  
1 1 1 3  15 40 o 35.41000 3.695000  -11.72000      7.389000  
1 1 1 3  15 42 o 21.87000 3.466000  -0.6315000     6.933000  
1 1 1 3  15 44 o 23.13000 3.200000  2.219000       6.399000  
1 1 1 3  15 46 o 26.47000 3.106000  12.00000       6.212000  
1 1 1 3  15 48 o 26.03000 3.320000  -7.884000      6.640000  
1 1 1 3  16 1  o 22.37000 1.255000  -0.3756000     2.510000  
1 1 1 3  16 3  o 34.98000 0.9609000 -0.3613000     1.922000  
1 1 1 3  16 5  o 73.15000 1.126000  -0.8567000     2.252000  
1 1 1 3  16 7  o 28.51000 1.329000  -0.9383000     2.659000  
1 1 1 3  16 9  o 63.69000 1.037000  -0.2335000     2.073000  
1 1 1 3  16 11 o 123.8000 1.754000  -0.8935000     3.509000  
1 1 1 3  16 13 o 26.13000 1.317000  1.261000       2.635000  
1 1 1 3  16 15 o 113.5000 1.499000  1.061000       2.998000  
1 1 1 3  16 17 o 50.14000 1.156000  -2.452000      2.312000  
1 1 1 3  16 19 o 100.5000 1.607000  -2.801000      3.213000  
1 1 1 3  16 21 f 65.00000 1.496000  0.8576000      2.993000  
1 1 1 3  16 23 o 55.90000 1.338000  -2.779000      2.676000  
1 1 1 3  16 25 o 101.2000 1.824000  -2.350000      3.648000  
1 1 1 3  16 27 o 53.60000 1.072000  2.006000       2.144000  
1 1 1 3  16 29 o 20.54000 0.9220000 0.8901000      1.844000  
1 1 1 3  16 31 o 109.5000 2.017000  2.143000       4.033000  
1 1 1 3  16 33 o 35.79000 3.108000  5.392000       6.217000  
1 1 1 3  16 35 o 28.17000 2.622000  2.071000       5.244000  
1 1 1 3  16 37 o 17.41000 3.336000  -0.6466000     6.672000  
1 1 1 3  16 39 o 27.01000 3.679000  -4.878000      7.358000  
1 1 1 3  16 41 o 47.44000 2.694000  -8.503000      5.388000  
1 1 1 3  16 43 o 36.70000 2.251000  -2.993000      4.502000  
1 1 1 3  16 45 o 32.09000 2.140000  6.587000       4.279000  
1 1 1 3  16 47 o 14.52000 3.586000  8.803000       7.173000  
1 1 1 3  17 0  f 16.90000 2.288000  0.000000       0.000000  
1 1 1 3  17 2  o 85.38000 1.171000  1.320000       2.342000  
1 1 1 3  17 4  o 128.9000 1.809000  -7.261000      3.617000  
1 1 1 3  17 6  o 72.60000 1.134000  -2.425000      2.268000  
1 1 1 3  17 8  o 98.72000 1.438000  1.881000       2.877000  
1 1 1 3  17 10 o 116.1000 1.531000  1.942000       3.061000  
1 1 1 3  17 12 o 123.4000 1.876000  0.6673000E-01  3.752000  
1 1 1 3  17 14 o 93.76000 1.516000  -2.980000      3.032000  
1 1 1 3  17 16 o 107.0000 1.588000  -2.974000      3.175000  
1 1 1 3  17 18 o 24.89000 2.552000  3.216000       5.104000  
1 1 1 3  17 20 o 52.42000 2.189000  -2.911000      4.377000  
1 1 1 3  17 22 o 23.61000 2.474000  -7.388000      4.949000  
1 1 1 3  17 24 o 28.25000 1.758000  0.3919000      3.516000  
1 1 1 3  17 26 o 121.1000 2.435000  8.586000       4.870000  
1 1 1 3  17 28 o 22.51000 0.8864000 -1.471000      1.773000  
1 1 1 3  17 30 o 73.72000 1.337000  -3.158000      2.674000  
1 1 1 3  17 32 o 14.10000 1.462000  -0.3407000     2.923000  
1 1 1 3  17 34 o 41.06000 2.158000  -1.508000      4.317000  
1 1 1 3  17 36 o 17.43000 3.323000  4.046000       6.646000  
1 1 1 3  17 38 o 24.72000 2.998000  -0.3435000     5.995000  
1 1 1 3  17 40 o 27.70000 3.328000  4.657000       6.656000  
1 1 1 3  17 42 o 33.06000 2.962000  -7.307000      5.925000  
1 1 1 3  17 44 o 25.36000 4.579000  -13.46000      9.157000  
1 1 1 3  17 46 o 20.28000 2.635000  1.132000       5.271000  
1 1 1 3  17 48 o 13.66000 3.252000  7.450000       6.504000  
1 1 1 3  18 1  o 69.82000 1.025000  1.517000       2.050000  
1 1 1 3  18 3  o 60.82000 0.9670000 2.243000       1.934000  
1 1 1 3  18 5  o 83.81000 1.178000  -2.712000      2.356000  
1 1 1 3  18 7  o 52.34000 1.041000  -0.5733000E-01 2.082000  
1 1 1 3  18 9  o 95.88000 1.507000  0.4538000E-01  3.014000  
1 1 1 3  18 11 o 46.28000 1.169000  2.818000       2.338000  
1 1 1 3  18 13 o 39.63000 1.054000  -0.2975000     2.108000  
1 1 1 3  18 15 o 5.956000 2.981000  ?              ?         
1 1 1 3  18 17 f 8.338000 2.886000  -4.014000      5.771000  
1 1 1 3  18 19 o 47.78000 1.346000  5.115000       2.692000  
1 1 1 3  18 21 o 42.02000 1.505000  0.3636000      3.010000  
1 1 1 3  18 23 o 48.58000 1.430000  -3.339000      2.860000  
1 1 1 3  18 25 o 50.09000 1.443000  -3.186000      2.885000  
1 1 1 3  18 27 o 76.06000 1.369000  3.286000       2.738000  
1 1 1 3  18 29 o 70.96000 1.240000  0.2162000      2.480000  
1 1 1 3  18 31 o 24.01000 0.9528000 1.933000       1.906000  
1 1 1 3  18 33 o 25.65000 1.059000  0.9314000      2.117000  
1 1 1 3  18 35 o 41.80000 2.139000  -0.2276000     4.277000  
1 1 1 3  18 37 o 27.65000 3.249000  -4.746000      6.497000  
1 1 1 3  18 39 o 45.35000 1.849000  ?              ?         
1 1 1 3  18 41 o 23.05000 3.406000  1.596000       6.812000  
1 1 1 3  18 43 o 26.83000 3.975000  -10.69000      7.949000  
1 1 1 3  18 45 o 16.14000 3.530000  1.412000       7.061000  
1 1 1 3  18 47 o 30.28000 1.365000  ?              ?         
1 1 1 3  19 0  o 62.82000 1.439000  0.000000       0.000000  
1 1 1 3  19 2  o 103.9000 1.399000  -2.182000      2.797000  
1 1 1 3  19 4  o 30.39000 1.173000  -0.3893000     2.345000  
1 1 1 3  19 6  o 92.49000 1.281000  -0.6589000     2.562000  
1 1 1 3  19 8  o 117.3000 1.796000  -3.003000      3.592000  
1 1 1 3  19 10 o 43.25000 1.117000  0.8182000      2.234000  
1 1 1 3  19 12 o 122.5000 1.644000  2.907000       3.287000  
1 1 1 3  19 14 o 182.3000 2.573000  -0.8810000     5.146000  
1 1 1 3  19 16 o 51.76000 1.811000  ?              ?         
1 1 1 3  19 18 o 71.80000 2.347000  -3.418000      4.694000  
1 1 1 3  19 20 o 91.32000 1.490000  1.868000       2.980000  
1 1 1 3  19 22 o 49.58000 1.515000  8.537000       3.030000  
1 1 1 3  19 24 o 30.63000 1.881000  -0.3380000E-01 3.762000  
1 1 1 3  19 26 o 41.76000 1.565000  7.057000       3.130000  
1 1 1 3  19 28 o 10.03000 1.603000  0.9702000      3.205000  
1 1 1 3  19 30 f 42.89000 0.9572000 -3.582000      1.914000  
1 1 1 3  19 32 f 48.98000 1.046000  -0.7113000     2.092000  
1 1 1 3  19 34 o 64.75000 1.143000  1.438000       2.287000  
1 1 1 3  19 36 o 45.17000 1.986000  5.974000       3.972000  
1 1 1 3  19 38 o 12.26000 3.914000  -0.6276000     7.828000  
1 1 1 3  19 40 o 30.72000 2.682000  -3.503000      5.363000  
1 1 1 3  19 42 o 24.30000 3.151000  0.2716000      6.303000  
1 1 1 3  19 44 o 18.31000 3.833000  2.749000       7.665000  
1 1 1 3  19 46 o 8.562000 2.766000  2.625000       5.532000  
1 1 1 3  20 1  o 19.36000 1.864000  0.6277000      3.728000  
1 1 1 3  20 3  o 84.81000 1.204000  0.5708000      2.408000  
1 1 1 3  20 5  o 64.73000 1.032000  -0.9123000     2.065000  
1 1 1 3  20 7  o 88.74000 1.255000  0.7518000      2.511000  
1 1 1 3  20 9  o 86.28000 1.269000  -2.315000      2.538000  
1 1 1 3  20 11 o 100.2000 1.654000  -0.4952000     3.309000  
1 1 1 3  20 13 o 38.91000 1.752000  0.2703000      3.504000  
1 1 1 3  20 15 o 72.84000 2.575000  1.496000       5.150000  
1 1 1 3  20 17 o 71.33000 1.831000  1.279000       3.662000  
1 1 1 3  20 19 f 106.8000 1.809000  -6.488000      3.618000  
1 1 1 3  20 21 f 19.17000 1.333000  -0.1144000     2.666000  
1 1 1 3  20 23 o 39.90000 1.573000  1.345000       3.146000  
1 1 1 3  20 25 o 87.14000 1.418000  7.670000       2.837000  
1 1 1 3  20 27 o 18.84000 0.9964000 -2.111000      1.993000  
1 1 1 3  20 29 o 49.33000 1.011000  -0.4285000     2.022000  
1 1 1 3  20 31 o 13.25000 1.262000  -1.371000      2.524000  
1 1 1 3  20 33 o 14.53000 1.237000  -0.2222000     2.474000  
1 1 1 3  20 35 o 10.53000 2.215000  -1.102000      4.429000  
1 1 1 3  20 37 o 23.80000 3.397000  -17.37000      6.794000  
1 1 1 3  20 39 o 12.71000 3.253000  1.569000       6.506000  
1 1 1 3  20 41 f 24.56000 3.183000  1.570000       6.366000  
1 1 1 3  20 43 o 21.18000 3.887000  8.047000       7.775000  
1 1 1 3  20 45 o 12.01000 3.098000  -0.3069000     6.195000  
1 1 1 3  21 0  o 58.70000 1.527000  0.000000       0.000000  
1 1 1 3  21 2  o 23.89000 1.616000  -0.5725000     3.232000  
1 1 1 3  21 4  o 32.65000 1.296000  0.9037000      2.593000  
1 1 1 3  21 6  o 139.8000 1.993000  2.307000       3.986000  
1 1 1 3  21 8  o 50.77000 1.246000  3.981000       2.492000  
1 1 1 3  21 10 o 64.64000 1.739000  2.177000       3.479000  
1 1 1 3  21 12 o 36.19000 2.055000  6.312000       4.111000  
1 1 1 3  21 14 o 97.28000 1.923000  -5.284000      3.845000  
1 1 1 3  21 16 o 71.97000 1.652000  5.841000       3.305000  
1 1 1 3  21 18 o 74.70000 1.613000  -1.524000      3.227000  
1 1 1 3  21 20 o 28.94000 1.677000  5.255000       3.353000  
1 1 1 3  21 22 o 78.82000 1.225000  1.459000       2.451000  
1 1 1 3  21 24 f 27.46000 1.766000  9.184000       3.532000  
1 1 1 3  21 26 o 32.78000 2.419000  -10.75000      4.838000  
1 1 1 3  21 28 o 43.38000 1.021000  1.552000       2.042000  
1 1 1 3  21 30 o 22.63000 0.9547000 0.1526000      1.909000  
1 1 1 3  21 32 o 36.89000 0.9689000 -1.612000      1.938000  
1 1 1 3  21 34 o 37.15000 1.052000  1.511000       2.103000  
1 1 1 3  21 36 o 52.47000 1.517000  1.280000       3.035000  
1 1 1 3  21 38 o 8.576000 4.190000  ?              ?         
1 1 1 3  21 40 o 14.67000 3.527000  -0.4071000     7.053000  
1 1 1 3  21 42 o 22.79000 3.911000  -0.5809000     7.822000  
1 1 1 3  21 44 o 20.73000 2.745000  10.34000       5.491000  
1 1 1 3  21 46 o 18.49000 3.173000  8.882000       6.346000  
1 1 1 3  22 1  o 55.98000 1.234000  1.540000       2.468000  
1 1 1 3  22 3  o 105.5000 1.496000  -1.431000      2.992000  
1 1 1 3  22 5  o 48.31000 1.314000  1.705000       2.627000  
1 1 1 3  22 7  o 56.96000 1.587000  -5.071000      3.175000  
1 1 1 3  22 9  o 103.2000 1.574000  2.963000       3.148000  
1 1 1 3  22 11 o 31.80000 3.377000  -8.273000      6.755000  
1 1 1 3  22 13 o 17.44000 3.350000  11.45000       6.701000  
1 1 1 3  22 15 o 15.54000 3.375000  -0.8497000     6.751000  
1 1 1 3  22 17 o 15.86000 2.829000  5.674000       5.657000  
1 1 1 3  22 19 o 33.03000 1.390000  3.352000       2.779000  
1 1 1 3  22 21 o 70.74000 1.300000  3.066000       2.600000  
1 1 1 3  22 23 o 14.37000 2.921000  -4.423000      5.842000  
1 1 1 3  22 25 o 40.43000 1.360000  1.642000       2.719000  
1 1 1 3  22 27 o 44.08000 1.407000  1.928000       2.815000  
1 1 1 3  22 29 o 32.61000 0.9725000 -1.420000      1.945000  
1 1 1 3  22 31 o 37.39000 0.9520000 -0.1801000     1.904000  
1 1 1 3  22 33 o 10.87000 1.673000  -1.452000      3.346000  
1 1 1 3  22 35 o 22.69000 3.332000  5.616000       6.664000  
1 1 1 3  22 39 o 27.74000 4.100000  -2.704000      8.199000  
1 1 1 3  22 41 o 20.36000 3.262000  -1.352000      6.524000  
1 1 1 3  22 43 o 13.80000 3.688000  2.148000       7.375000  
1 1 1 3  22 45 o 16.01000 2.751000  -7.178000      5.502000  
1 1 1 3  23 0  o 30.71000 3.297000  0.000000       0.000000  
1 1 1 3  23 2  o 75.41000 1.529000  -2.917000      3.059000  
1 1 1 3  23 4  o 93.71000 1.517000  1.357000       3.035000  
1 1 1 3  23 6  o 84.25000 1.620000  -7.305000      3.239000  
1 1 1 3  23 8  o 26.20000 4.035000  9.888000       8.071000  
1 1 1 3  23 10 o 51.93000 2.354000  3.281000       4.708000  
1 1 1 3  23 12 o 29.86000 2.817000  1.488000       5.635000  
1 1 1 3  23 14 o 71.97000 1.499000  1.161000       2.999000  
1 1 1 3  23 16 o 35.55000 1.508000  -1.590000      3.016000  
1 1 1 3  23 18 o 33.60000 1.579000  2.448000       3.158000  
1 1 1 3  23 20 o 33.62000 1.541000  2.408000       3.082000  
1 1 1 3  23 22 o 40.07000 1.281000  3.842000       2.561000  
1 1 1 3  23 24 o 31.30000 1.654000  0.2736000      3.307000  
1 1 1 3  23 26 o 34.47000 1.633000  2.683000       3.266000  
1 1 1 3  23 28 o 10.91000 2.782000  2.545000       5.564000  
1 1 1 3  23 30 o 22.48000 1.046000  0.8112000      2.091000  
1 1 1 3  23 32 o 14.59000 1.345000  -0.4537000     2.689000  
1 1 1 3  23 34 o 19.09000 1.293000  -2.616000      2.586000  
1 1 1 3  23 36 f 35.68000 1.097000  -2.147000      2.194000  
1 1 1 3  23 38 f 16.83000 2.011000  3.073000       4.021000  
1 1 1 3  23 40 o 20.92000 2.930000  -3.529000      5.861000  
1 1 1 3  23 42 o 10.13000 3.202000  4.411000       6.404000  
1 1 1 3  23 44 o 8.646000 2.839000  3.304000       5.678000  
1 1 1 3  24 1  o 53.29000 3.231000  -8.170000      6.462000  
1 1 1 3  24 3  o 12.76000 6.226000  ?              ?         
1 1 1 3  24 5  o 122.7000 2.506000  -0.7358000     5.011000  
1 1 1 3  24 7  o 31.16000 3.815000  9.546000       7.631000  
1 1 1 3  24 9  o 23.57000 4.476000  4.793000       8.952000  
1 1 1 3  24 11 o 93.34000 1.678000  1.304000       3.357000  
1 1 1 3  24 13 o 38.77000 1.691000  1.098000       3.382000  
1 1 1 3  24 15 o 46.81000 1.329000  5.059000       2.658000  
1 1 1 3  24 17 o 43.52000 1.428000  -2.144000      2.856000  
1 1 1 3  24 19 o 43.34000 1.310000  -1.854000      2.619000  
1 1 1 3  24 21 o 26.38000 1.667000  -0.6128000     3.333000  
1 1 1 3  24 23 o 23.64000 1.630000  1.574000       3.259000  
1 1 1 3  24 25 o 25.81000 1.414000  6.314000       2.828000  
1 1 1 3  24 27 o 18.93000 3.165000  -2.544000      6.330000  
1 1 1 3  24 29 o 35.21000 1.652000  3.836000       3.303000  
1 1 1 3  24 31 o 76.84000 1.327000  0.6511000      2.653000  
1 1 1 3  24 33 o 60.85000 1.427000  -3.013000      2.854000  
1 1 1 3  24 35 o 26.01000 1.729000  0.3559000E-01  3.459000  
1 1 1 3  24 37 o 31.90000 1.213000  -1.316000      2.427000  
1 1 1 3  24 39 f 13.35000 2.227000  -4.626000      4.454000  
1 1 1 3  24 41 o 10.70000 3.127000  6.022000       6.254000  
1 1 1 3  24 43 o 12.84000 3.320000  0.7330000      6.640000  
1 1 1 3  25 0  o 75.36000 2.907000  0.000000       0.000000  
1 1 1 3  25 2  o 75.00000 2.102000  5.037000       4.203000  
1 1 1 3  25 4  o 52.09000 2.166000  -3.075000      4.331000  
1 1 1 3  25 6  f 58.03000 1.937000  -0.9785000E-01 3.874000  
1 1 1 3  25 8  o 35.73000 2.807000  -5.138000      5.614000  
1 1 1 3  25 10 o 31.82000 2.465000  -2.696000      4.929000  
1 1 1 3  25 12 o 27.19000 2.161000  1.289000       4.323000  
1 1 1 3  25 14 o 40.26000 1.535000  -3.272000      3.070000  
1 1 1 3  25 16 o 19.22000 3.048000  3.729000       6.096000  
1 1 1 3  25 18 o 40.43000 1.429000  -0.8454000E-01 2.858000  
1 1 1 3  25 20 o 29.11000 1.714000  -3.204000      3.427000  
1 1 1 3  25 22 o 45.18000 1.683000  2.525000       3.366000  
1 1 1 3  25 24 o 25.51000 1.688000  0.3115000      3.376000  
1 1 1 3  25 26 o 22.78000 1.571000  4.450000       3.142000  
1 1 1 3  25 28 o 41.44000 1.712000  3.497000       3.424000  
1 1 1 3  25 30 o 54.34000 1.606000  4.194000       3.212000  
1 1 1 3  25 32 o 28.38000 1.115000  -0.9290000     2.230000  
1 1 1 3  25 34 o 42.58000 1.384000  0.4672000      2.769000  
1 1 1 3  25 36 o 14.32000 1.896000  0.5222000      3.793000  
1 1 1 3  25 38 o 17.66000 3.841000  3.294000       7.681000  
1 1 1 3  25 40 o 16.80000 3.242000  -3.179000      6.483000  
1 1 1 3  25 42 o 13.95000 3.257000  9.681000       6.514000  
1 1 1 3  25 44 o 8.218000 3.388000  ?              ?         
1 1 1 3  26 1  o 14.97000 4.464000  -4.834000      8.928000  
1 1 1 3  26 3  o 32.89000 3.428000  -4.416000      6.857000  
1 1 1 3  26 5  o 132.2000 2.439000  -9.375000      4.879000  
1 1 1 3  26 7  o 114.4000 1.926000  -5.881000      3.852000  
1 1 1 3  26 9  o 108.4000 1.612000  -2.003000      3.224000  
1 1 1 3  26 11 o 46.94000 1.531000  -3.862000      3.062000  
1 1 1 3  26 13 o 33.40000 2.023000  -1.225000      4.046000  
1 1 1 3  26 15 o 84.72000 1.403000  -2.608000      2.807000  
1 1 1 3  26 17 o 43.37000 1.913000  -6.690000      3.826000  
1 1 1 3  26 19 o 51.00000 1.347000  0.1652000      2.694000  
1 1 1 3  26 21 o 14.91000 3.086000  -5.373000      6.172000  
1 1 1 3  26 23 o 42.73000 1.306000  -0.3636000     2.611000  
1 1 1 3  26 25 o 21.60000 1.891000  -1.494000      3.781000  
1 1 1 3  26 27 o 57.08000 1.300000  -1.177000      2.601000  
1 1 1 3  26 29 o 28.54000 3.041000  -4.622000      6.082000  
1 1 1 3  26 31 o 27.94000 3.630000  -8.520000      7.260000  
1 1 1 3  26 33 o 35.69000 1.322000  0.5443000      2.645000  
1 1 1 3  26 35 o 17.50000 1.768000  -2.060000      3.537000  
1 1 1 3  26 37 o 35.45000 2.985000  2.268000       5.970000  
1 1 1 3  26 39 f 36.56000 1.207000  -0.2416000     2.414000  
1 1 1 3  26 41 o 33.70000 1.251000  -4.665000      2.503000  
1 1 1 3  26 43 o 32.71000 2.227000  3.479000       4.454000  
1 1 1 3  27 0  o 13.46000 5.365000  0.000000       0.000000  
1 1 1 3  27 2  o 74.09000 2.088000  -0.4686000     4.175000  
1 1 1 3  27 4  o 44.19000 2.529000  -9.564000      5.058000  
1 1 1 3  27 6  o 35.71000 2.133000  -0.3925000     4.266000  
1 1 1 3  27 8  o 78.11000 1.460000  -4.226000      2.921000  
1 1 1 3  27 10 o 82.60000 1.455000  0.1843000      2.910000  
1 1 1 3  27 12 o 92.38000 1.505000  -3.015000      3.009000  
1 1 1 3  27 14 o 93.67000 1.498000  -3.821000      2.997000  
1 1 1 3  27 16 o 103.8000 1.584000  -4.241000      3.168000  
1 1 1 3  27 18 o 34.33000 1.831000  1.499000       3.662000  
1 1 1 3  27 20 o 19.52000 2.833000  -4.400000      5.665000  
1 1 1 3  27 22 o 39.29000 1.490000  4.625000       2.980000  
1 1 1 3  27 24 o 70.45000 1.313000  -1.068000      2.625000  
1 1 1 3  27 26 o 50.87000 1.212000  3.160000       2.423000  
1 1 1 3  27 28 o 11.67000 3.349000  2.819000       6.699000  
1 1 1 3  27 30 o 26.22000 4.055000  -3.216000      8.110000  
1 1 1 3  27 32 o 22.36000 3.657000  -1.265000      7.313000  
1 1 1 3  27 34 o 11.20000 3.064000  6.252000       6.129000  
1 1 1 3  27 36 o 47.84000 1.253000  -0.4857000     2.506000  
1 1 1 3  27 38 o 20.16000 1.356000  2.035000       2.713000  
1 1 1 3  27 40 o 6.448000 2.019000  -0.3280000     4.038000  
1 1 1 3  27 42 o 41.44000 1.272000  -3.551000      2.545000  
1 1 1 3  28 1  o 34.65000 3.236000  4.670000       6.472000  
1 1 1 3  28 3  o 22.28000 3.765000  -5.624000      7.530000  
1 1 1 3  28 5  o 61.83000 1.704000  -4.277000      3.408000  
1 1 1 3  28 7  o 59.65000 2.037000  -4.692000      4.074000  
1 1 1 3  28 9  o 77.39000 1.495000  -2.362000      2.990000  
1 1 1 3  28 11 o 69.13000 1.479000  3.158000       2.957000  
1 1 1 3  28 13 o 57.38000 1.607000  1.556000       3.213000  
1 1 1 3  28 15 o 46.08000 1.661000  -4.546000      3.322000  
1 1 1 3  28 17 o 30.66000 2.242000  1.172000       4.484000  
1 1 1 3  28 19 o 42.42000 1.649000  -0.9393000     3.297000  
1 1 1 3  28 21 o 41.91000 1.533000  -0.8733000     3.067000  
1 1 1 3  28 23 o 16.61000 2.925000  1.655000       5.851000  
1 1 1 3  28 25 o 17.84000 2.467000  -2.022000      4.934000  
1 1 1 3  28 27 o 32.32000 1.457000  1.798000       2.915000  
1 1 1 3  28 29 o 38.88000 3.311000  7.288000       6.622000  
1 1 1 3  28 31 o 38.68000 2.254000  9.476000       4.508000  
1 1 1 3  28 33 o 7.695000 2.335000  3.034000       4.671000  
1 1 1 3  28 35 o 28.26000 3.941000  -11.84000      7.882000  
1 1 1 3  28 37 o 18.70000 1.467000  -0.3084000     2.934000  
1 1 1 3  28 39 o 8.270000 2.120000  1.119000       4.240000  
1 1 1 3  28 41 o 24.35000 1.332000  0.7824000      2.663000  
1 1 1 3  29 0  o 52.74000 2.948000  0.000000       0.000000  
1 1 1 3  29 2  o 70.57000 1.832000  -5.150000      3.664000  
1 1 1 3  29 4  o 97.90000 1.914000  1.298000       3.827000  
1 1 1 3  29 6  o 29.79000 3.074000  3.540000       6.147000  
1 1 1 3  29 8  o 99.74000 1.742000  -1.822000      3.483000  
1 1 1 3  29 10 o 13.55000 4.027000  1.568000       8.054000  
1 1 1 3  29 12 o 26.83000 3.422000  1.030000       6.844000  
1 1 1 3  29 14 o 30.94000 2.451000  -0.8925000     4.902000  
1 1 1 3  29 16 o 26.89000 2.771000  3.702000       5.542000  
1 1 1 3  29 18 o 35.77000 2.073000  4.145000       4.147000  
1 1 1 3  29 20 o 32.45000 1.954000  -2.502000      3.907000  
1 1 1 3  29 22 o 28.84000 1.900000  0.7495000      3.800000  
1 1 1 3  29 24 o 9.598000 2.903000  -2.002000      5.806000  
1 1 1 3  29 26 o 23.48000 2.251000  -1.495000      4.503000  
1 1 1 3  29 28 o 55.16000 1.744000  -4.180000      3.488000  
1 1 1 3  29 30 o 84.15000 2.972000  -9.070000      5.943000  
1 1 1 3  29 32 o 12.73000 3.766000  6.482000       7.531000  
1 1 1 3  29 34 o 25.58000 1.187000  0.9474000      2.373000  
1 1 1 3  29 36 o 16.48000 1.903000  -8.544000      3.806000  
1 1 1 3  29 38 o 16.81000 4.609000  -0.6212000     9.217000  
1 1 1 3  29 40 o 19.38000 1.582000  -3.225000      3.164000  
1 1 1 3  30 1  o 32.70000 2.664000  -0.8161000     5.328000  
1 1 1 3  30 3  o 52.66000 2.002000  1.445000       4.003000  
1 1 1 3  30 5  o 16.72000 3.914000  0.9809000      7.827000  
1 1 1 3  30 7  o 30.23000 3.262000  -2.172000      6.523000  
1 1 1 3  30 9  o 12.60000 3.816000  -0.9685000     7.631000  
1 1 1 3  30 11 o 30.55000 2.657000  4.430000       5.314000  
1 1 1 3  30 13 o 33.07000 2.897000  -2.066000      5.795000  
1 1 1 3  30 15 o 84.34000 1.722000  -2.956000      3.445000  
1 1 1 3  30 17 o 47.69000 1.800000  0.8940000      3.601000  
1 1 1 3  30 19 o 19.81000 3.425000  -3.375000      6.851000  
1 1 1 3  30 21 f 60.40000 1.546000  0.1779000      3.093000  
1 1 1 3  30 23 o 16.66000 3.150000  -3.257000      6.300000  
1 1 1 3  30 25 f 35.35000 1.651000  -1.530000      3.302000  
1 1 1 3  30 27 o 13.82000 2.947000  5.563000       5.894000  
1 1 1 3  30 29 o 60.98000 2.621000  ?              ?         
1 1 1 3  30 31 o 11.09000 2.764000  -2.724000      5.527000  
1 1 1 3  30 33 o 12.86000 3.735000  7.423000       7.470000  
1 1 1 3  30 35 o 19.36000 5.820000  15.61000       11.64000  
1 1 1 3  30 37 o 20.69000 1.389000  0.6085000      2.778000  
1 1 1 3  30 39 o 9.600000 2.987000  0.1671000      5.974000  
1 1 1 3  31 0  o 20.55000 5.985000  0.000000       0.000000  
1 1 1 3  31 2  o 35.38000 3.154000  3.037000       6.309000  
1 1 1 3  31 4  f 12.30000 3.781000  -2.568000      7.561000  
1 1 1 3  31 6  o 15.74000 4.151000  -0.2111000E-01 8.303000  
1 1 1 3  31 8  o 13.59000 3.766000  -3.813000      7.532000  
1 1 1 3  31 10 o 58.66000 2.204000  1.840000       4.409000  
1 1 1 3  31 12 o 42.46000 2.161000  3.363000       4.323000  
1 1 1 3  31 14 o 51.12000 1.965000  3.558000       3.930000  
1 1 1 3  31 16 o 17.89000 4.364000  1.787000       8.727000  
1 1 1 3  31 18 o 33.23000 2.980000  0.5141000      5.960000  
1 1 1 3  31 20 o 60.29000 1.924000  -1.730000      3.849000  
1 1 1 3  31 22 o 60.25000 1.676000  -0.2523000     3.352000  
1 1 1 3  31 24 o 39.37000 2.207000  6.074000       4.414000  
1 1 1 3  31 26 o 46.94000 3.298000  0.9439000      6.595000  
1 1 1 3  31 28 o 63.47000 3.111000  -0.1187000E-01 6.223000  
1 1 1 3  31 30 o 13.49000 3.677000  -1.312000      7.353000  
1 1 1 3  31 32 o 23.68000 3.836000  -5.534000      7.672000  
1 1 1 3  31 34 o 8.312000 2.584000  3.060000       5.168000  
1 1 1 3  31 36 o 21.27000 1.361000  -0.8624000     2.723000  
1 1 1 3  31 38 o 16.64000 1.777000  1.728000       3.555000  
1 1 1 3  32 1  o 43.87000 2.296000  -1.913000      4.592000  
1 1 1 3  32 3  o 45.94000 2.139000  -1.640000      4.279000  
1 1 1 3  32 5  o 31.52000 2.883000  4.121000       5.766000  
1 1 1 3  32 7  o 14.14000 3.866000  0.1623000E-01  7.732000  
1 1 1 3  32 9  o 20.01000 4.123000  -0.5021000     8.245000  
1 1 1 3  32 11 o 32.99000 2.489000  1.526000       4.979000  
1 1 1 3  32 13 o 60.76000 1.914000  -1.817000      3.827000  
1 1 1 3  32 15 o 36.98000 2.796000  2.043000       5.592000  
1 1 1 3  32 17 o 20.45000 3.785000  -0.3801000     7.570000  
1 1 1 3  32 19 o 11.08000 3.423000  -3.350000      6.846000  
1 1 1 3  32 21 o 17.14000 4.639000  2.394000       9.278000  
1 1 1 3  32 23 o 30.45000 4.388000  -1.297000      8.777000  
1 1 1 3  32 25 o 11.23000 5.499000  ?              ?         
1 1 1 3  32 27 o 23.77000 2.649000  -8.644000      5.299000  
1 1 1 3  32 29 o 19.41000 3.082000  4.308000       6.164000  
1 1 1 3  32 31 o 13.97000 3.111000  1.456000       6.223000  
1 1 1 3  32 33 f 12.68000 2.696000  -3.405000      5.392000  
1 1 1 3  32 35 o 12.53000 3.290000  1.157000       6.581000  
1 1 1 3  32 37 o 12.44000 2.468000  1.542000       4.936000  
1 1 1 3  33 0  o 60.25000 2.763000  0.000000       0.000000  
1 1 1 3  33 2  o 22.42000 3.905000  -3.309000      7.810000  
1 1 1 3  33 4  o 30.30000 3.290000  3.444000       6.581000  
1 1 1 3  33 6  f 54.76000 1.749000  -1.128000      3.497000  
1 1 1 3  33 8  o 33.75000 2.541000  4.616000       5.083000  
1 1 1 3  33 10 o 43.23000 2.393000  -1.066000      4.786000  
1 1 1 3  33 12 o 58.95000 1.966000  4.360000       3.932000  
1 1 1 3  33 14 o 68.32000 1.825000  -0.4676000     3.651000  
1 1 1 3  33 16 o 24.34000 3.985000  0.3803000      7.969000  
1 1 1 3  33 18 o 13.01000 3.893000  -0.6139000     7.787000  
1 1 1 3  33 20 o 46.42000 2.370000  3.469000       4.740000  
1 1 1 3  33 22 o 25.46000 3.709000  3.239000       7.419000  
1 1 1 3  33 24 o 14.91000 7.202000  ?              ?         
1 1 1 3  33 26 o 9.132000 4.541000  ?              ?         
1 1 1 3  33 28 o 33.97000 3.838000  -5.664000      7.676000  
1 1 1 3  33 30 o 14.27000 3.016000  -4.346000      6.033000  
1 1 1 3  33 32 o 13.27000 3.581000  4.052000       7.162000  
1 1 1 3  33 34 o 12.84000 3.511000  4.573000       7.023000  
1 1 1 3  33 36 o 8.140000 2.797000  -0.3390000     5.593000  
1 1 1 3  34 1  o 30.87000 3.596000  0.8413000      7.193000  
1 1 1 3  34 3  o 23.17000 4.164000  9.233000       8.328000  
1 1 1 3  34 5  o 66.02000 1.747000  -2.007000      3.494000  
1 1 1 3  34 7  o 26.23000 3.487000  3.049000       6.973000  
1 1 1 3  34 9  o 54.75000 1.828000  0.9643000      3.655000  
1 1 1 3  34 11 o 31.70000 2.994000  2.691000       5.988000  
1 1 1 3  34 13 o 17.19000 4.378000  -2.636000      8.755000  
1 1 1 3  34 15 o 34.59000 3.053000  -1.630000      6.107000  
1 1 1 3  34 17 o 37.43000 2.729000  -3.769000      5.458000  
1 1 1 3  34 19 o 25.37000 4.946000  -1.577000      9.891000  
1 1 1 3  34 21 o 7.662000 2.634000  1.485000       5.267000  
1 1 1 3  34 23 o 62.27000 2.490000  2.017000       4.981000  
1 1 1 3  34 25 o 6.231000 3.100000  ?              ?         
1 1 1 3  34 27 o 11.68000 3.461000  -3.457000      6.922000  
1 1 1 3  34 29 o 25.85000 2.916000  -11.13000      5.832000  
1 1 1 3  34 31 o 19.15000 4.626000  5.025000       9.253000  
1 1 1 3  34 33 o 11.18000 3.321000  0.8443000      6.642000  
1 1 1 3  34 35 o 7.747000 2.521000  3.468000       5.043000  
1 1 1 3  35 0  o 43.45000 5.603000  0.000000       0.000000  
1 1 1 3  35 2  o 36.51000 2.879000  0.4825000      5.757000  
1 1 1 3  35 4  o 53.30000 2.043000  -0.1198000     4.086000  
1 1 1 3  35 6  o 54.33000 1.846000  0.2335000      3.693000  
1 1 1 3  35 8  o 27.66000 3.491000  -3.021000      6.983000  
1 1 1 3  35 10 o 21.70000 4.131000  -0.8601000     8.263000  
1 1 1 3  35 12 o 50.48000 2.239000  3.975000       4.479000  
1 1 1 3  35 14 o 34.09000 3.069000  -1.392000      6.137000  
1 1 1 3  35 16 o 17.92000 4.769000  0.8456000      9.538000  
1 1 1 3  35 18 o 12.69000 3.912000  0.3332000      7.823000  
1 1 1 3  35 22 o 60.53000 1.971000  -5.026000      3.943000  
1 1 1 3  35 24 o 7.731000 2.507000  4.214000       5.015000  
1 1 1 3  35 26 o 16.65000 3.700000  -3.073000      7.400000  
1 1 1 3  35 28 o 10.66000 3.135000  -0.5223000E-01 6.270000  
1 1 1 3  35 30 o 11.79000 3.273000  -2.728000      6.545000  
1 1 1 3  35 32 o 14.66000 2.741000  5.143000       5.483000  
1 1 1 3  35 34 o 23.07000 2.683000  -3.049000      5.366000  
1 1 1 3  36 1  o 43.83000 2.543000  -1.572000      5.086000  
1 1 1 3  36 3  o 39.55000 2.465000  -2.233000      4.929000  
1 1 1 3  36 5  o 21.49000 4.288000  2.234000       8.577000  
1 1 1 3  36 7  o 32.20000 2.912000  -2.186000      5.823000  
1 1 1 3  36 9  o 50.50000 2.141000  -4.152000      4.282000  
1 1 1 3  36 11 o 43.47000 2.437000  2.317000       4.874000  
1 1 1 3  36 13 o 18.15000 4.596000  -1.835000      9.192000  
1 1 1 3  36 15 o 38.88000 2.937000  1.964000       5.874000  
1 1 1 3  36 17 o 7.666000 2.652000  0.9009000      5.304000  
1 1 1 3  36 19 o 15.99000 4.496000  -4.574000      8.992000  
1 1 1 3  36 23 f 31.00000 4.277000  6.637000       8.554000  
1 1 1 3  36 25 o 16.91000 4.345000  -7.411000      8.691000  
1 1 1 3  36 27 o 16.38000 3.341000  -4.955000      6.682000  
1 1 1 3  36 29 o 36.75000 1.869000  3.045000       3.738000  
1 1 1 3  36 31 o 34.38000 2.112000  -2.078000      4.223000  
1 1 1 3  36 33 o 27.26000 1.886000  4.579000       3.772000  
1 1 1 3  37 0  o 17.72000 6.226000  0.000000       0.000000  
1 1 1 3  37 2  o 22.17000 4.672000  2.755000       9.344000  
1 1 1 3  37 4  o 39.67000 2.560000  0.4297000      5.119000  
1 1 1 3  37 6  o 23.40000 4.293000  5.787000       8.585000  
1 1 1 3  37 8  o 21.00000 4.412000  0.3377000      8.824000  
1 1 1 3  37 10 o 15.75000 4.545000  -1.686000      9.089000  
1 1 1 3  37 12 o 13.13000 4.195000  -1.614000      8.390000  
1 1 1 3  37 14 o 10.05000 3.160000  1.313000       6.319000  
1 1 1 3  37 18 o 53.82000 1.559000  1.307000       3.117000  
1 1 1 3  37 20 f 23.90000 2.362000  16.12000       4.725000  
1 1 1 3  37 22 o 27.13000 3.992000  1.940000       7.984000  
1 1 1 3  37 24 o 13.90000 3.596000  3.388000       7.192000  
1 1 1 3  37 26 o 11.08000 3.342000  -0.1440000     6.684000  
1 1 1 3  37 28 o 34.05000 3.049000  7.027000       6.097000  
1 1 1 3  37 30 o 7.204000 2.391000  0.1271000      4.783000  
1 1 1 3  37 32 o 33.20000 1.988000  -6.595000      3.975000  
1 1 1 3  38 1  f 16.23000 4.550000  0.7700000      9.100000  
1 1 1 3  38 3  o 13.98000 4.218000  -0.9243000     8.436000  
1 1 1 3  38 5  o 18.76000 4.579000  4.328000       9.157000  
1 1 1 3  38 7  o 15.16000 4.497000  -0.4960000     8.995000  
1 1 1 3  38 9  o 11.21000 3.421000  1.988000       6.841000  
1 1 1 3  38 11 o 7.496000 2.630000  0.5644000      5.261000  
1 1 1 3  38 15 o 75.80000 2.148000  9.120000       4.296000  
1 1 1 3  38 19 o 15.28000 4.291000  3.928000       8.581000  
1 1 1 3  38 21 f 16.58000 4.469000  -2.101000      8.937000  
1 1 1 3  38 23 o 17.73000 3.919000  -4.389000      7.838000  
1 1 1 3  38 25 o 15.34000 3.889000  3.886000       7.778000  
1 1 1 3  38 27 o 12.76000 3.475000  2.921000       6.950000  
1 1 1 3  38 29 o 8.647000 2.615000  3.338000       5.229000  
1 1 1 3  38 31 o 17.44000 2.646000  -12.61000      5.292000  
1 1 1 3  39 0  o 13.08000 5.446000  0.000000       0.000000  
1 1 1 3  39 2  o 14.88000 3.734000  5.676000       7.468000  
1 1 1 3  39 4  o 9.606000 3.246000  3.623000       6.491000  
1 1 1 3  39 6  o 8.393000 2.915000  -0.3715000     5.829000  
1 1 1 3  39 8  o 30.42000 3.710000  11.90000       7.421000  
1 1 1 3  39 10 o 13.80000 4.508000  8.003000       9.016000  
1 1 1 3  39 12 o 62.08000 1.509000  -0.6620000     3.018000  
1 1 1 3  39 16 o 8.810000 2.541000  3.480000       5.082000  
1 1 1 3  39 18 o 14.72000 4.341000  -0.8704000E-01 8.682000  
1 1 1 3  39 20 o 28.14000 3.175000  0.9385000      6.350000  
1 1 1 3  39 22 o 17.69000 3.661000  6.995000       7.322000  
1 1 1 3  39 24 o 12.47000 3.655000  0.6995000      7.309000  
1 1 1 3  39 26 o 8.139000 2.574000  -1.024000      5.149000  
1 1 1 3  39 28 o 6.547000 3.205000  ?              ?         
1 1 1 3  39 30 o 9.465000 2.910000  1.014000       5.820000  
1 1 1 3  40 1  o 14.51000 4.935000  -4.306000      9.871000  
1 1 1 3  40 3  o 17.13000 4.663000  12.48000       9.325000  
1 1 1 3  40 5  o 72.65000 2.646000  9.947000       5.293000  
1 1 1 3  40 7  o 56.22000 1.561000  7.092000       3.121000  
1 1 1 3  40 13 o 13.06000 4.188000  1.714000       8.376000  
1 1 1 3  40 15 o 13.31000 4.256000  -1.910000      8.512000  
1 1 1 3  40 17 o 14.06000 4.281000  1.015000       8.563000  
1 1 1 3  40 19 o 17.66000 4.452000  -6.368000      8.903000  
1 1 1 3  40 21 o 22.32000 4.169000  3.008000       8.338000  
1 1 1 3  40 23 o 31.85000 2.951000  4.157000       5.902000  
1 1 1 3  40 25 o 8.344000 2.668000  1.862000       5.336000  
1 1 1 3  40 27 o 10.71000 2.531000  6.212000       5.063000  
1 1 1 3  41 4  o 8.983000 4.332000  ?              ?         
1 1 1 3  41 6  o 6.970000 3.446000  ?              ?         
1 1 1 3  41 8  o 9.108000 2.815000  1.123000       5.630000  
1 1 1 3  41 10 o 17.46000 4.947000  -4.307000      9.894000  
1 1 1 3  41 12 o 16.04000 4.706000  0.3973000E-01  9.412000  
1 1 1 3  41 14 o 17.55000 4.700000  0.1566000      9.399000  
1 1 1 3  41 16 f 19.40000 3.817000  6.004000       7.633000  
1 1 1 3  41 18 o 21.13000 3.844000  1.408000       7.688000  
1 1 1 3  41 20 o 31.20000 3.256000  11.41000       6.512000  
1 1 1 3  41 22 f 9.396000 2.868000  2.445000       5.736000  
1 1 1 3  41 24 o 7.093000 2.438000  1.833000       4.876000  
1 1 1 3  41 26 o 30.35000 1.401000  3.371000       2.802000  
1 1 1 3  42 1  o 17.65000 5.472000  1.650000       10.94000  
1 1 1 3  42 3  o 16.28000 4.997000  4.652000       9.994000  
1 1 1 3  42 5  o 42.14000 4.242000  7.841000       8.484000  
1 1 1 3  42 7  o 28.73000 5.397000  5.515000       10.79000  
1 1 1 3  42 9  o 16.37000 4.751000  -4.476000      9.503000  
1 1 1 3  42 11 o 15.31000 4.086000  5.822000       8.171000  
1 1 1 3  42 13 o 15.33000 4.413000  1.993000       8.825000  
1 1 1 3  42 15 o 12.28000 3.607000  5.809000       7.215000  
1 1 1 3  42 17 o 18.17000 4.417000  0.3724000      8.834000  
1 1 1 3  42 19 o 15.90000 4.098000  -0.8781000     8.196000  
1 1 1 3  42 21 o 7.527000 2.541000  3.158000       5.082000  
1 1 1 3  42 23 o 10.84000 2.454000  -7.727000      4.908000  
1 1 1 3  42 25 o 12.28000 2.960000  2.947000       5.921000  
1 1 1 3  43 0  o 43.91000 4.426000  0.000000       0.000000  
1 1 1 3  43 2  o 15.08000 4.661000  1.486000       9.322000  
1 1 1 3  43 4  o 28.42000 5.232000  -2.740000      10.46000  
1 1 1 3  43 6  o 14.78000 4.426000  5.323000       8.853000  
1 1 1 3  43 8  o 11.94000 3.771000  -0.3909000     7.542000  
1 1 1 3  43 10 f 18.46000 4.202000  1.842000       8.404000  
1 1 1 3  43 12 o 10.51000 3.408000  -0.8971000E-01 6.815000  
1 1 1 3  43 14 o 17.53000 4.819000  5.545000       9.637000  
1 1 1 3  43 16 o 13.73000 4.227000  -0.6828000E-01 8.454000  
1 1 1 3  43 18 o 8.365000 2.718000  0.4755000      5.436000  
1 1 1 3  43 20 o 8.569000 2.967000  2.597000       5.934000  
1 1 1 3  43 22 o 12.28000 3.063000  -3.800000      6.126000  
1 1 1 3  44 1  o 21.87000 3.365000  4.047000       6.730000  
1 1 1 3  44 3  o 13.85000 3.828000  -0.4393000     7.655000  
1 1 1 3  44 5  o 25.98000 4.642000  -1.137000      9.283000  
1 1 1 3  44 7  o 25.99000 4.594000  9.477000       9.189000  
1 1 1 3  44 9  o 19.37000 4.986000  3.138000       9.972000  
1 1 1 3  44 11 o 26.97000 4.090000  13.41000       8.179000  
1 1 1 3  44 13 o 30.74000 4.241000  -5.517000      8.482000  
1 1 1 3  44 15 o 8.997000 2.953000  -0.6691000     5.906000  
1 1 1 3  44 17 o 9.298000 2.910000  -0.5719000     5.819000  
1 1 1 3  44 19 o 39.48000 1.571000  -2.172000      3.142000  
1 1 1 3  44 21 o 14.63000 3.762000  0.1446000      7.523000  
1 1 1 3  45 0  o 35.72000 3.676000  0.000000       0.000000  
1 1 1 3  45 2  o 18.05000 4.275000  -6.458000      8.550000  
1 1 1 3  45 4  o 15.74000 4.432000  3.468000       8.865000  
1 1 1 3  45 6  o 13.58000 4.174000  2.928000       8.348000  
1 1 1 3  45 8  o 13.55000 4.167000  -0.1073000     8.333000  
1 1 1 3  45 10 o 9.404000 3.025000  -1.973000      6.050000  
1 1 1 3  45 12 o 13.02000 3.476000  -5.663000      6.952000  
1 1 1 3  45 14 o 9.875000 2.923000  -6.123000      5.845000  
1 1 1 3  45 16 f 38.62000 2.354000  -1.678000      4.707000  
1 1 1 3  45 18 o 9.815000 2.783000  0.1593000      5.567000  
1 1 1 3  46 1  o 9.681000 2.929000  -1.075000      5.859000  
1 1 1 3  46 3  f 8.765000 2.828000  2.224000       5.655000  
1 1 1 3  46 5  o 8.268000 2.708000  1.636000       5.416000  
1 1 1 3  46 7  o 7.449000 2.567000  -0.1573000E-01 5.134000  
1 1 1 3  46 9  o 7.810000 2.667000  -0.8126000     5.334000  
1 1 1 3  46 11 o 6.100000 2.088000  1.619000       4.177000  
1 1 1 3  46 13 o 41.05000 1.558000  -3.975000      3.116000  
1 1 1 3  46 15 o 10.60000 3.126000  -0.6139000E-01 6.252000  
1 1 1 3  47 0  o 6.959000 3.467000  0.000000       0.000000  
1 1 1 3  47 2  o 5.754000 1.968000  -1.858000      3.937000  
1 1 1 3  47 4  o 8.742000 2.567000  -3.327000      5.133000  
1 1 1 3  47 6  o 29.61000 1.609000  -0.1265000     3.218000  
1 1 1 3  47 8  o 44.13000 1.731000  -2.347000      3.462000  
1 1 1 3  47 10 o 7.295000 2.434000  -0.9132000     4.867000  
1 1 1 3  48 1  o 8.410000 2.621000  2.722000       5.243000  
1 1 1 3  48 3  o 11.73000 3.198000  1.096000       6.396000  
1 1 1 3  48 5  o 18.10000 4.902000  ?              ?         
1 1 1 4  0  0  o 114.4000 2.918000  0.000000       0.000000  
1 1 1 4  0  2  o 66.45000 1.205000  0.000000       0.000000  
1 1 1 4  0  4  o 25.07000 0.5133000 0.000000       0.000000  
1 1 1 4  0  6  o 50.50000 0.9302000 0.000000       0.000000  
1 1 1 4  0  8  o 108.9000 1.967000  0.000000       0.000000  
1 1 1 4  0  10 o 4.959000 1.595000  0.000000       0.000000  
1 1 1 4  0  12 o 84.49000 1.548000  0.000000       0.000000  
1 1 1 4  0  14 o 61.85000 1.171000  0.000000       0.000000  
1 1 1 4  0  16 o 57.58000 1.116000  0.000000       0.000000  
1 1 1 4  0  18 o 120.2000 2.188000  0.000000       0.000000  
1 1 1 4  0  20 o 73.23000 1.603000  0.000000       0.000000  
1 1 1 4  0  22 o 107.1000 2.790000  0.000000       0.000000  
1 1 1 4  0  24 o 83.60000 1.939000  0.000000       0.000000  
1 1 1 4  0  26 o 218.2000 5.654000  0.000000       0.000000  
1 1 1 4  0  28 o 106.7000 2.893000  0.000000       0.000000  
1 1 1 4  0  30 o 36.39000 1.253000  0.000000       0.000000  
1 1 1 4  0  32 o 12.88000 2.620000  0.000000       0.000000  
1 1 1 4  0  34 o 36.85000 1.372000  0.000000       0.000000  
1 1 1 4  0  36 o 7.301000 2.900000  0.000000       0.000000  
1 1 1 4  0  38 o 23.57000 2.180000  0.000000       0.000000  
1 1 1 4  0  40 o 46.40000 1.712000  0.000000       0.000000  
1 1 1 4  0  42 o 15.79000 2.479000  0.000000       0.000000  
1 1 1 4  0  44 f 7.407000 3.434000  0.000000       0.000000  
1 1 1 4  0  46 o 19.06000 2.440000  0.000000       0.000000  
1 1 1 4  0  48 o 10.61000 3.501000  0.000000       0.000000  
1 1 1 4  0  50 o 7.694000 3.230000  0.000000       0.000000  
1 1 1 4  1  1  o 36.85000 0.4886000 -0.3106000     0.9772000 
1 1 1 4  1  3  o 158.3000 2.089000  -4.297000      4.179000  
1 1 1 4  1  5  o 113.6000 1.449000  -3.431000      2.899000  
1 1 1 4  1  7  o 34.72000 0.5307000 0.9901000      1.061000  
1 1 1 4  1  9  o 65.77000 0.8543000 1.462000       1.709000  
1 1 1 4  1  11 o 55.57000 0.7429000 0.8565000      1.486000  
1 1 1 4  1  13 o 45.19000 0.6492000 -0.6673000     1.298000  
1 1 1 4  1  15 o 28.21000 0.5802000 1.463000       1.160000  
1 1 1 4  1  17 f 14.04000 0.8909000 -1.975000      1.782000  
1 1 1 4  1  19 o 38.40000 0.6884000 0.6770000      1.377000  
1 1 1 4  1  21 o 100.2000 1.683000  0.9296000      3.366000  
1 1 1 4  1  23 o 38.38000 1.101000  4.480000       2.201000  
1 1 1 4  1  25 o 84.00000 1.302000  0.5559000E-01  2.604000  
1 1 1 4  1  27 o 143.7000 1.888000  -3.163000      3.777000  
1 1 1 4  1  29 o 75.95000 1.096000  -1.622000      2.191000  
1 1 1 4  1  31 o 81.87000 1.232000  -1.870000      2.465000  
1 1 1 4  1  33 o 34.78000 0.9625000 0.8930000      1.925000  
1 1 1 4  1  35 o 25.21000 1.082000  -0.2795000     2.164000  
1 1 1 4  1  37 o 62.52000 1.212000  1.532000       2.424000  
1 1 1 4  1  39 o 13.67000 1.851000  1.455000       3.701000  
1 1 1 4  1  41 o 38.39000 1.109000  1.576000       2.219000  
1 1 1 4  1  43 f 52.40000 1.288000  1.288000       2.577000  
1 1 1 4  1  45 o 8.748000 2.531000  -1.721000      5.063000  
1 1 1 4  1  47 o 29.53000 1.176000  -2.433000      2.351000  
1 1 1 4  1  49 o 26.42000 1.515000  2.124000       3.031000  
1 1 1 4  1  51 o 27.82000 1.832000  -1.842000      3.664000  
1 1 1 4  2  0  o 110.8000 1.997000  0.000000       0.000000  
1 1 1 4  2  2  o 95.77000 1.223000  0.5624000      2.445000  
1 1 1 4  2  4  o 96.23000 1.230000  0.1043000E-01  2.460000  
1 1 1 4  2  6  o 127.6000 1.632000  3.425000       3.264000  
1 1 1 4  2  8  o 73.92000 0.9896000 0.5671000      1.979000  
1 1 1 4  2  10 o 91.04000 1.171000  -0.6606000     2.342000  
1 1 1 4  2  12 o 35.87000 0.7339000 -1.311000      1.468000  
1 1 1 4  2  14 o 77.83000 1.021000  -0.6433000     2.042000  
1 1 1 4  2  16 o 128.5000 1.914000  3.201000       3.828000  
1 1 1 4  2  18 o 60.67000 1.050000  0.2472000E-01  2.100000  
1 1 1 4  2  20 o 104.2000 1.749000  3.211000       3.498000  
1 1 1 4  2  22 o 41.07000 1.262000  1.379000       2.524000  
1 1 1 4  2  24 o 35.61000 0.9926000 -2.708000      1.985000  
1 1 1 4  2  26 o 71.29000 1.615000  -0.7561000     3.230000  
1 1 1 4  2  28 o 65.51000 1.130000  3.308000       2.260000  
1 1 1 4  2  30 o 86.54000 1.294000  -4.112000      2.588000  
1 1 1 4  2  32 o 79.75000 1.230000  -1.256000      2.459000  
1 1 1 4  2  34 o 42.12000 0.9695000 0.3711000      1.939000  
1 1 1 4  2  36 o 26.96000 0.9848000 -0.2524000     1.970000  
1 1 1 4  2  38 o 13.05000 1.902000  -1.097000      3.805000  
1 1 1 4  2  40 o 44.98000 1.011000  1.633000       2.022000  
1 1 1 4  2  42 o 51.04000 1.127000  -0.5091000     2.254000  
1 1 1 4  2  46 o 9.498000 2.605000  -2.684000      5.211000  
1 1 1 4  2  48 o 14.13000 2.432000  -2.474000      4.865000  
1 1 1 4  2  50 o 8.989000 2.559000  -2.338000      5.117000  
1 1 1 4  3  1  o 85.35000 1.127000  -0.5815000     2.255000  
1 1 1 4  3  3  o 82.20000 1.055000  -0.2235000     2.111000  
1 1 1 4  3  5  o 37.48000 0.5642000 -2.799000      1.128000  
1 1 1 4  3  7  o 113.6000 1.453000  0.4179000      2.906000  
1 1 1 4  3  9  o 78.00000 1.045000  -0.1998000     2.091000  
1 1 1 4  3  11 o 28.66000 0.5411000 0.4643000E-01  1.082000  
1 1 1 4  3  13 o 45.50000 0.6527000 -0.9096000E-01 1.305000  
1 1 1 4  3  15 o 36.25000 0.5949000 0.7145000      1.190000  
1 1 1 4  3  17 o 46.16000 0.7212000 -0.8169000     1.442000  
1 1 1 4  3  19 o 75.14000 1.299000  3.636000       2.598000  
1 1 1 4  3  21 o 113.1000 1.581000  2.710000       3.163000  
1 1 1 4  3  23 o 93.35000 1.343000  -1.265000      2.687000  
1 1 1 4  3  25 o 53.67000 1.101000  3.000000       2.201000  
1 1 1 4  3  27 o 62.58000 1.191000  -3.812000      2.382000  
1 1 1 4  3  29 o 57.31000 0.9355000 0.1094000      1.871000  
1 1 1 4  3  31 o 37.94000 0.9492000 -2.492000      1.898000  
1 1 1 4  3  33 o 42.99000 0.9062000 0.7318000      1.812000  
1 1 1 4  3  35 o 76.64000 1.116000  -3.110000      2.233000  
1 1 1 4  3  37 o 18.05000 1.262000  -0.8725000     2.525000  
1 1 1 4  3  39 o 22.58000 1.142000  0.1542000      2.284000  
1 1 1 4  3  41 o 58.87000 1.132000  -2.655000      2.264000  
1 1 1 4  3  43 o 31.19000 2.644000  0.2271000      5.288000  
1 1 1 4  3  45 o 35.72000 1.210000  1.304000       2.420000  
1 1 1 4  3  47 o 16.66000 2.051000  0.9478000      4.102000  
1 1 1 4  3  49 f 19.11000 3.833000  3.227000       7.667000  
1 1 1 4  3  51 o 23.30000 1.656000  -0.6378000E-01 3.312000  
1 1 1 4  4  0  o 142.3000 2.563000  0.000000       0.000000  
1 1 1 4  4  2  o 105.1000 1.346000  -1.337000      2.692000  
1 1 1 4  4  4  o 74.88000 0.9642000 -0.7817000     1.928000  
1 1 1 4  4  6  o 70.30000 0.9113000 0.8337000      1.823000  
1 1 1 4  4  8  o 54.58000 0.7252000 -0.5226000E-02 1.450000  
1 1 1 4  4  10 o 74.87000 0.9764000 0.9824000      1.953000  
1 1 1 4  4  12 o 25.76000 0.6100000 -1.731000      1.220000  
1 1 1 4  4  14 o 70.42000 1.087000  -0.7404000     2.174000  
1 1 1 4  4  16 o 43.44000 0.6776000 0.5982000      1.355000  
1 1 1 4  4  18 o 48.83000 0.7622000 0.4798000      1.524000  
1 1 1 4  4  20 o 97.59000 1.277000  -0.8357000     2.553000  
1 1 1 4  4  22 o 67.77000 1.075000  -1.244000      2.151000  
1 1 1 4  4  24 f 114.9000 1.833000  1.213000       3.665000  
1 1 1 4  4  26 o 80.60000 1.384000  5.063000       2.767000  
1 1 1 4  4  28 f 46.97000 1.172000  1.651000       2.345000  
1 1 1 4  4  30 o 39.95000 0.8627000 -2.955000      1.725000  
1 1 1 4  4  32 o 35.94000 0.8343000 0.4030000E-01  1.669000  
1 1 1 4  4  34 o 58.80000 0.9814000 -2.412000      1.963000  
1 1 1 4  4  36 o 62.64000 1.007000  -0.6692000     2.014000  
1 1 1 4  4  38 o 11.71000 1.869000  -0.1709000     3.738000  
1 1 1 4  4  40 o 26.54000 1.036000  -0.5965000     2.072000  
1 1 1 4  4  42 o 30.09000 1.178000  -0.2399000     2.355000  
1 1 1 4  4  44 f 21.33000 1.846000  0.9587000      3.691000  
1 1 1 4  4  46 o 41.36000 1.217000  -0.7423000     2.435000  
1 1 1 4  4  48 o 40.26000 1.116000  4.715000       2.233000  
1 1 1 4  4  50 o 4.850000 1.679000  0.8066000      3.358000  
1 1 1 4  5  1  o 49.71000 0.6618000 0.4691000E-01  1.324000  
1 1 1 4  5  3  o 110.7000 1.416000  1.365000       2.832000  
1 1 1 4  5  5  o 140.2000 1.850000  0.9095000      3.700000  
1 1 1 4  5  7  o 30.40000 0.4919000 -0.4699000     0.9839000 
1 1 1 4  5  9  o 56.04000 0.7557000 -1.434000      1.511000  
1 1 1 4  5  11 o 36.75000 0.5738000 -0.1519000     1.148000  
1 1 1 4  5  13 o 32.91000 0.8113000 -1.159000      1.623000  
1 1 1 4  5  15 o 47.83000 0.8991000 -0.6002000     1.798000  
1 1 1 4  5  17 o 56.41000 1.025000  0.5129000      2.051000  
1 1 1 4  5  19 o 47.46000 0.9942000 -0.1205000E-01 1.988000  
1 1 1 4  5  21 f 76.18000 1.098000  -0.5234000     2.196000  
1 1 1 4  5  23 o 42.00000 1.033000  -4.272000      2.066000  
1 1 1 4  5  25 o 130.9000 2.005000  -0.5056000     4.011000  
1 1 1 4  5  27 o 76.76000 1.383000  -4.189000      2.766000  
1 1 1 4  5  29 o 44.99000 0.9616000 0.9137000      1.923000  
1 1 1 4  5  31 o 85.33000 1.186000  -0.6045000     2.372000  
1 1 1 4  5  33 o 54.24000 0.9316000 -2.208000      1.863000  
1 1 1 4  5  35 o 23.18000 1.330000  -1.785000      2.659000  
1 1 1 4  5  37 o 66.29000 1.082000  -0.1760000     2.164000  
1 1 1 4  5  39 o 45.58000 0.9570000 -1.363000      1.914000  
1 1 1 4  5  41 o 52.46000 1.087000  1.975000       2.174000  
1 1 1 4  5  43 o 48.25000 2.301000  -1.460000      4.601000  
1 1 1 4  5  45 o 18.53000 1.580000  -1.307000      3.160000  
1 1 1 4  5  47 o 8.788000 2.128000  1.245000       4.256000  
1 1 1 4  5  49 o 11.54000 1.813000  -0.7563000     3.626000  
1 1 1 4  5  51 o 9.812000 3.244000  1.237000       6.488000  
1 1 1 4  6  0  o 14.39000 0.7997000 0.000000       0.000000  
1 1 1 4  6  2  o 61.89000 0.8122000 1.007000       1.624000  
1 1 1 4  6  4  o 61.19000 0.8066000 -0.3237000     1.613000  
1 1 1 4  6  6  f 111.7000 1.481000  -0.2274000E-02 2.961000  
1 1 1 4  6  8  o 54.95000 0.7432000 -1.538000      1.486000  
1 1 1 4  6  10 o 47.84000 0.6745000 -1.737000      1.349000  
1 1 1 4  6  12 o 61.31000 1.016000  -0.3328000     2.032000  
1 1 1 4  6  14 o 42.59000 0.7917000 1.310000       1.583000  
1 1 1 4  6  16 f 56.40000 1.256000  -0.5913000     2.511000  
1 1 1 4  6  18 o 86.43000 1.992000  -0.6066000     3.984000  
1 1 1 4  6  20 o 64.18000 1.144000  1.872000       2.289000  
1 1 1 4  6  22 o 77.46000 1.369000  0.3111000      2.739000  
1 1 1 4  6  24 o 66.83000 1.512000  1.700000       3.025000  
1 1 1 4  6  26 o 69.56000 1.237000  -3.892000      2.474000  
1 1 1 4  6  28 o 72.56000 1.157000  1.635000       2.315000  
1 1 1 4  6  30 o 95.99000 1.416000  -3.990000      2.833000  
1 1 1 4  6  32 o 19.29000 0.9336000 -0.4670000E-01 1.867000  
1 1 1 4  6  34 o 29.04000 0.8452000 1.382000       1.690000  
1 1 1 4  6  36 o 83.39000 1.423000  -6.501000      2.847000  
1 1 1 4  6  38 o 11.28000 1.540000  -1.275000      3.081000  
1 1 1 4  6  40 o 36.00000 0.9362000 -0.6059000     1.872000  
1 1 1 4  6  42 o 33.21000 1.114000  2.988000       2.227000  
1 1 1 4  6  44 o 34.43000 1.292000  0.3211000      2.583000  
1 1 1 4  6  46 o 33.63000 1.368000  -2.344000      2.735000  
1 1 1 4  6  48 o 31.09000 1.035000  -0.2758000E-02 2.070000  
1 1 1 4  6  50 o 19.55000 1.371000  2.220000       2.742000  
1 1 1 4  7  1  o 95.53000 1.229000  -0.2741000     2.459000  
1 1 1 4  7  3  o 138.4000 1.767000  4.386000       3.534000  
1 1 1 4  7  5  o 33.49000 0.5333000 0.3930000      1.067000  
1 1 1 4  7  7  o 35.54000 0.6223000 -1.189000      1.245000  
1 1 1 4  7  9  o 143.2000 1.894000  -1.720000      3.787000  
1 1 1 4  7  11 o 44.97000 0.7159000 0.4978000      1.432000  
1 1 1 4  7  13 o 75.41000 1.165000  -1.461000      2.330000  
1 1 1 4  7  15 o 65.32000 1.411000  -0.2121000     2.823000  
1 1 1 4  7  17 o 24.62000 0.7749000 1.563000       1.550000  
1 1 1 4  7  19 o 50.37000 0.9784000 1.992000       1.957000  
1 1 1 4  7  21 o 97.11000 1.649000  -0.8536000     3.299000  
1 1 1 4  7  23 o 110.3000 1.704000  1.983000       3.408000  
1 1 1 4  7  25 o 93.31000 2.708000  5.710000       5.415000  
1 1 1 4  7  27 o 37.65000 1.349000  -0.8657000     2.698000  
1 1 1 4  7  29 o 82.62000 1.548000  -0.9552000     3.095000  
1 1 1 4  7  31 o 65.12000 1.465000  4.512000       2.930000  
1 1 1 4  7  33 o 42.35000 0.9246000 -2.588000      1.849000  
1 1 1 4  7  35 o 11.82000 1.197000  1.516000       2.394000  
1 1 1 4  7  37 o 16.11000 1.049000  -1.319000      2.098000  
1 1 1 4  7  39 o 19.58000 0.9444000 0.5862000      1.889000  
1 1 1 4  7  41 o 30.00000 0.9850000 2.243000       1.970000  
1 1 1 4  7  43 o 11.92000 2.310000  1.971000       4.619000  
1 1 1 4  7  45 o 20.16000 1.149000  -0.4101000     2.298000  
1 1 1 4  7  47 o 26.91000 1.017000  1.810000       2.034000  
1 1 1 4  7  49 o 21.08000 3.180000  -4.630000      6.360000  
1 1 1 4  7  51 o 11.94000 2.128000  ?              ?         
1 1 1 4  8  0  o 51.82000 1.181000  0.000000       0.000000  
1 1 1 4  8  2  o 104.4000 1.344000  1.073000       2.688000  
1 1 1 4  8  4  o 98.06000 1.267000  0.8670000      2.534000  
1 1 1 4  8  6  o 54.37000 0.7589000 -2.509000      1.518000  
1 1 1 4  8  8  o 68.71000 0.9203000 -1.706000      1.841000  
1 1 1 4  8  10 o 50.61000 0.8769000 2.220000       1.754000  
1 1 1 4  8  12 o 67.31000 1.043000  0.2199000      2.086000  
1 1 1 4  8  14 o 71.47000 1.030000  -1.893000      2.061000  
1 1 1 4  8  16 o 54.38000 0.9103000 0.7563000      1.821000  
1 1 1 4  8  18 f 29.41000 1.381000  -3.853000      2.763000  
1 1 1 4  8  20 o 30.50000 1.253000  -4.228000      2.507000  
1 1 1 4  8  22 o 24.51000 0.9469000 -0.2698000     1.894000  
1 1 1 4  8  24 o 51.68000 1.846000  ?              ?         
1 1 1 4  8  26 o 13.62000 2.506000  6.015000       5.012000  
1 1 1 4  8  28 o 34.75000 1.995000  3.251000       3.991000  
1 1 1 4  8  30 o 22.13000 3.291000  -5.743000      6.582000  
1 1 1 4  8  32 o 58.05000 1.685000  -3.751000      3.371000  
1 1 1 4  8  34 f 32.28000 0.8209000 -0.9782000     1.642000  
1 1 1 4  8  36 o 16.85000 0.9221000 -1.401000      1.844000  
1 1 1 4  8  38 o 15.88000 1.040000  -1.477000      2.080000  
1 1 1 4  8  40 o 39.82000 1.032000  -2.075000      2.064000  
1 1 1 4  8  42 o 7.723000 1.996000  0.5056000      3.992000  
1 1 1 4  8  44 o 29.13000 1.059000  -2.202000      2.119000  
1 1 1 4  8  46 o 33.68000 0.9991000 -1.851000      1.998000  
1 1 1 4  8  48 o 9.912000 1.812000  -2.515000      3.624000  
1 1 1 4  8  50 o 21.08000 1.689000  2.682000       3.378000  
1 1 1 4  9  1  o 121.4000 1.560000  -2.007000      3.121000  
1 1 1 4  9  3  o 67.85000 0.9036000 -1.211000      1.807000  
1 1 1 4  9  5  o 34.31000 0.6324000 -2.577000      1.265000  
1 1 1 4  9  7  o 54.42000 0.8270000 -1.489000      1.654000  
1 1 1 4  9  9  o 40.21000 0.6807000 -1.462000      1.361000  
1 1 1 4  9  11 o 16.58000 0.7947000 1.504000       1.589000  
1 1 1 4  9  13 o 20.77000 1.023000  -1.707000      2.045000  
1 1 1 4  9  15 o 70.02000 1.102000  -1.967000      2.204000  
1 1 1 4  9  17 o 134.2000 2.250000  2.226000       4.501000  
1 1 1 4  9  19 o 138.0000 2.308000  -0.5458000     4.616000  
1 1 1 4  9  21 o 6.614000 1.662000  0.1437000      3.324000  
1 1 1 4  9  23 f 68.51000 1.412000  0.8860000      2.824000  
1 1 1 4  9  25 o 136.3000 2.609000  7.758000       5.219000  
1 1 1 4  9  27 o 66.09000 1.568000  0.6987000      3.136000  
1 1 1 4  9  29 o 31.90000 2.717000  3.450000       5.433000  
1 1 1 4  9  31 o 96.68000 2.328000  5.577000       4.655000  
1 1 1 4  9  33 o 40.97000 1.070000  0.8303000      2.140000  
1 1 1 4  9  35 o 13.78000 2.381000  -7.708000      4.763000  
1 1 1 4  9  37 o 20.28000 1.587000  1.999000       3.174000  
1 1 1 4  9  39 o 35.36000 1.998000  -1.888000      3.996000  
1 1 1 4  9  41 o 40.82000 1.612000  3.723000       3.224000  
1 1 1 4  9  43 o 47.89000 1.352000  1.037000       2.705000  
1 1 1 4  9  45 o 12.90000 2.528000  3.483000       5.056000  
1 1 1 4  9  47 o 21.06000 0.9941000 4.536000       1.988000  
1 1 1 4  9  49 o 12.82000 1.686000  -0.8174000     3.373000  
1 1 1 4  10 0  o 44.44000 0.9888000 0.000000       0.000000  
1 1 1 4  10 2  o 72.46000 0.9731000 0.3075000E-01  1.946000  
1 1 1 4  10 4  o 54.12000 0.7805000 0.1464000      1.561000  
1 1 1 4  10 6  o 56.87000 0.9177000 -0.3576000     1.835000  
1 1 1 4  10 8  o 61.41000 1.014000  1.574000       2.027000  
1 1 1 4  10 10 o 62.19000 0.9250000 -1.445000      1.850000  
1 1 1 4  10 12 o 48.66000 0.9051000 2.734000       1.810000  
1 1 1 4  10 14 o 85.48000 1.360000  3.037000       2.719000  
1 1 1 4  10 16 o 62.83000 1.044000  2.533000       2.087000  
1 1 1 4  10 18 o 93.62000 1.574000  4.035000       3.147000  
1 1 1 4  10 20 o 53.75000 1.032000  -1.743000      2.063000  
1 1 1 4  10 22 o 36.66000 1.006000  -0.2646000     2.011000  
1 1 1 4  10 24 o 103.4000 3.348000  2.147000       6.696000  
1 1 1 4  10 26 o 63.65000 2.808000  2.380000       5.615000  
1 1 1 4  10 28 o 52.11000 1.224000  -0.7601000     2.448000  
1 1 1 4  10 30 o 39.28000 2.356000  7.902000       4.713000  
1 1 1 4  10 32 o 21.83000 3.582000  2.779000       7.164000  
1 1 1 4  10 34 o 21.46000 1.363000  5.061000       2.725000  
1 1 1 4  10 36 o 14.19000 2.126000  2.299000       4.252000  
1 1 1 4  10 38 o 8.019000 2.345000  -4.276000      4.691000  
1 1 1 4  10 40 o 12.25000 2.401000  1.404000       4.802000  
1 1 1 4  10 42 o 64.51000 3.055000  7.197000       6.110000  
1 1 1 4  10 44 o 61.31000 1.531000  -2.423000      3.062000  
1 1 1 4  10 46 o 9.002000 2.559000  -3.801000      5.118000  
1 1 1 4  10 48 o 19.69000 1.649000  1.269000       3.297000  
1 1 1 4  10 50 o 19.75000 2.704000  -9.740000      5.409000  
1 1 1 4  11 1  o 61.60000 0.9424000 -0.6632000E-01 1.885000  
1 1 1 4  11 3  o 60.98000 0.9793000 -0.3953000     1.959000  
1 1 1 4  11 5  o 67.32000 1.060000  -1.818000      2.120000  
1 1 1 4  11 7  o 44.92000 0.8219000 -1.038000      1.644000  
1 1 1 4  11 9  o 60.74000 0.9248000 -3.989000      1.850000  
1 1 1 4  11 11 o 28.17000 0.7061000 -1.234000      1.412000  
1 1 1 4  11 13 o 36.11000 0.8267000 -1.523000      1.653000  
1 1 1 4  11 15 o 162.1000 2.139000  -10.94000      4.278000  
1 1 1 4  11 17 o 113.0000 1.525000  -6.177000      3.051000  
1 1 1 4  11 19 o 47.04000 0.9350000 -1.553000      1.870000  
1 1 1 4  11 21 o 68.63000 1.799000  -3.345000      3.597000  
1 1 1 4  11 23 o 17.58000 4.780000  -2.050000      9.560000  
1 1 1 4  11 25 o 113.5000 2.229000  1.096000       4.459000  
1 1 1 4  11 27 o 36.97000 1.038000  1.490000       2.076000  
1 1 1 4  11 29 o 50.39000 2.135000  1.423000       4.269000  
1 1 1 4  11 31 o 126.4000 2.839000  3.633000       5.679000  
1 1 1 4  11 33 o 18.93000 3.809000  4.288000       7.618000  
1 1 1 4  11 35 o 33.22000 1.288000  -1.447000      2.576000  
1 1 1 4  11 37 o 7.556000 2.090000  -1.114000      4.180000  
1 1 1 4  11 39 o 25.46000 1.323000  -4.961000      2.647000  
1 1 1 4  11 41 o 6.846000 2.392000  -3.547000      4.784000  
1 1 1 4  11 43 o 8.635000 2.528000  1.158000       5.056000  
1 1 1 4  11 45 o 8.712000 2.469000  -0.7765000     4.938000  
1 1 1 4  11 47 o 14.02000 3.741000  3.991000       7.482000  
1 1 1 4  11 49 o 12.55000 2.089000  9.697000       4.179000  
1 1 1 4  12 0  o 39.02000 1.239000  0.000000       0.000000  
1 1 1 4  12 2  o 47.86000 0.9185000 -1.108000      1.837000  
1 1 1 4  12 4  o 52.35000 1.018000  -1.611000      2.036000  
1 1 1 4  12 6  o 58.33000 0.9776000 -0.2694000     1.955000  
1 1 1 4  12 8  o 91.51000 1.214000  -0.4349000     2.428000  
1 1 1 4  12 10 o 96.97000 1.279000  -0.5689000     2.558000  
1 1 1 4  12 12 o 38.07000 0.7419000 0.1676000      1.484000  
1 1 1 4  12 14 o 85.73000 1.351000  -3.033000      2.702000  
1 1 1 4  12 16 o 125.4000 1.952000  7.029000       3.904000  
1 1 1 4  12 18 o 89.42000 1.459000  -4.143000      2.918000  
1 1 1 4  12 20 o 43.11000 1.115000  -1.675000      2.230000  
1 1 1 4  12 22 o 60.74000 1.913000  ?              ?         
1 1 1 4  12 24 o 88.30000 2.307000  -0.7376000     4.614000  
1 1 1 4  12 26 o 21.95000 3.140000  -5.463000      6.280000  
1 1 1 4  12 28 o 61.85000 1.804000  -3.552000      3.609000  
1 1 1 4  12 30 o 29.96000 3.580000  -2.946000      7.159000  
1 1 1 4  12 32 o 36.94000 2.317000  3.103000       4.633000  
1 1 1 4  12 34 o 43.62000 1.209000  0.5556000      2.418000  
1 1 1 4  12 36 o 28.49000 1.156000  2.547000       2.311000  
1 1 1 4  12 38 o 29.27000 1.198000  -2.203000      2.396000  
1 1 1 4  12 40 o 11.58000 2.377000  3.589000       4.754000  
1 1 1 4  12 42 o 14.29000 2.891000  5.899000       5.782000  
1 1 1 4  12 44 o 21.16000 2.419000  3.253000       4.838000  
1 1 1 4  12 46 o 26.11000 2.067000  7.284000       4.135000  
1 1 1 4  12 48 o 30.41000 2.378000  0.7822000      4.756000  
1 1 1 4  12 50 o 15.92000 4.386000  ?              ?         
1 1 1 4  13 1  o 73.30000 1.292000  3.063000       2.585000  
1 1 1 4  13 3  o 48.40000 1.033000  0.3647000      2.066000  
1 1 1 4  13 5  o 64.94000 1.074000  -0.6491000     2.147000  
1 1 1 4  13 7  o 21.27000 1.267000  -1.359000      2.535000  
1 1 1 4  13 9  o 22.79000 1.133000  0.1078000      2.266000  
1 1 1 4  13 11 o 92.25000 1.630000  0.9135000      3.259000  
1 1 1 4  13 13 o 69.58000 1.206000  -2.903000      2.413000  
1 1 1 4  13 15 o 135.3000 2.036000  0.8157000      4.071000  
1 1 1 4  13 17 o 48.60000 1.001000  2.446000       2.003000  
1 1 1 4  13 19 o 81.61000 1.490000  -1.800000      2.980000  
1 1 1 4  13 21 o 56.35000 1.647000  -7.039000      3.294000  
1 1 1 4  13 23 o 7.753000 2.809000  4.505000       5.619000  
1 1 1 4  13 25 o 33.95000 2.459000  -2.681000      4.918000  
1 1 1 4  13 27 o 60.65000 1.758000  1.766000       3.515000  
1 1 1 4  13 29 o 60.01000 1.986000  -1.379000      3.972000  
1 1 1 4  13 31 o 41.23000 2.531000  2.323000       5.061000  
1 1 1 4  13 33 o 12.80000 3.375000  4.900000       6.751000  
1 1 1 4  13 35 f 31.48000 2.895000  -4.141000      5.789000  
1 1 1 4  13 37 o 15.68000 1.655000  -2.341000      3.311000  
1 1 1 4  13 39 o 22.41000 1.556000  0.7463000      3.111000  
1 1 1 4  13 41 o 67.39000 2.416000  -8.109000      4.833000  
1 1 1 4  13 43 o 26.90000 1.804000  -6.682000      3.608000  
1 1 1 4  13 45 o 17.37000 2.607000  -2.396000      5.214000  
1 1 1 4  13 47 o 41.80000 1.584000  3.948000       3.169000  
1 1 1 4  13 49 o 46.23000 1.364000  5.122000       2.727000  
1 1 1 4  14 0  o 77.24000 1.728000  0.000000       0.000000  
1 1 1 4  14 2  o 36.41000 1.304000  -2.116000      2.608000  
1 1 1 4  14 4  o 32.53000 0.9024000 0.8847000      1.805000  
1 1 1 4  14 6  o 37.83000 0.8499000 -2.164000      1.700000  
1 1 1 4  14 8  o 61.76000 0.8953000 -1.219000      1.791000  
1 1 1 4  14 10 o 66.52000 1.301000  -1.174000      2.602000  
1 1 1 4  14 12 o 52.44000 1.221000  -3.085000      2.443000  
1 1 1 4  14 14 o 116.9000 1.783000  0.6223000      3.565000  
1 1 1 4  14 16 o 106.0000 1.644000  -4.845000      3.289000  
1 1 1 4  14 18 o 105.4000 1.559000  -7.635000      3.119000  
1 1 1 4  14 20 o 126.0000 1.848000  -2.853000      3.696000  
1 1 1 4  14 22 o 57.77000 1.620000  ?              ?         
1 1 1 4  14 24 o 64.76000 1.451000  -1.059000      2.901000  
1 1 1 4  14 26 o 89.58000 2.189000  0.8322000      4.377000  
1 1 1 4  14 28 o 36.46000 2.165000  -4.527000      4.330000  
1 1 1 4  14 30 o 24.31000 3.557000  -2.662000      7.114000  
1 1 1 4  14 32 o 10.56000 3.369000  9.333000       6.738000  
1 1 1 4  14 34 f 18.30000 3.489000  2.041000       6.978000  
1 1 1 4  14 36 o 12.25000 4.110000  9.903000       8.219000  
1 1 1 4  14 38 o 19.34000 4.558000  5.067000       9.116000  
1 1 1 4  14 40 o 37.36000 3.278000  0.7458000      6.556000  
1 1 1 4  14 42 o 24.45000 3.201000  -14.43000      6.402000  
1 1 1 4  14 44 o 12.03000 3.139000  3.005000       6.277000  
1 1 1 4  14 46 o 13.20000 3.808000  4.342000       7.615000  
1 1 1 4  14 48 o 13.55000 3.301000  5.463000       6.602000  
1 1 1 4  15 1  o 54.67000 0.9828000 -0.4837000     1.966000  
1 1 1 4  15 3  o 32.06000 1.001000  0.8342000      2.002000  
1 1 1 4  15 5  o 65.61000 1.177000  0.9336000      2.353000  
1 1 1 4  15 7  o 53.89000 0.9267000 -0.7148000     1.853000  
1 1 1 4  15 9  o 63.72000 1.111000  0.2122000      2.223000  
1 1 1 4  15 11 o 43.06000 0.9044000 -3.612000      1.809000  
1 1 1 4  15 13 o 69.45000 1.100000  -3.853000      2.199000  
1 1 1 4  15 15 o 120.1000 1.704000  0.6907000      3.407000  
1 1 1 4  15 17 o 21.50000 1.703000  -2.027000      3.405000  
1 1 1 4  15 19 o 141.1000 2.029000  -3.781000      4.059000  
1 1 1 4  15 21 o 77.49000 2.346000  4.644000       4.692000  
1 1 1 4  15 23 o 46.94000 1.605000  0.3394000      3.210000  
1 1 1 4  15 25 o 89.48000 1.623000  -0.8639000     3.246000  
1 1 1 4  15 27 o 90.57000 2.354000  8.716000       4.709000  
1 1 1 4  15 29 o 31.10000 2.644000  -9.122000      5.288000  
1 1 1 4  15 31 o 34.73000 2.666000  -3.097000      5.332000  
1 1 1 4  15 33 o 54.95000 1.760000  -5.402000      3.520000  
1 1 1 4  15 35 o 19.27000 4.252000  2.454000       8.504000  
1 1 1 4  15 37 o 56.20000 1.913000  -5.198000      3.826000  
1 1 1 4  15 39 o 43.62000 2.259000  -4.361000      4.518000  
1 1 1 4  15 41 o 13.09000 2.958000  -5.758000      5.916000  
1 1 1 4  15 43 o 40.66000 2.105000  -0.3744000     4.210000  
1 1 1 4  15 45 o 18.09000 3.225000  -4.557000      6.450000  
1 1 1 4  15 47 o 15.77000 2.803000  -7.887000      5.606000  
1 1 1 4  15 49 o 10.98000 4.361000  ?              ?         
1 1 1 4  16 0  o 41.74000 1.209000  0.000000       0.000000  
1 1 1 4  16 2  o 67.76000 1.060000  1.613000       2.120000  
1 1 1 4  16 4  o 18.00000 1.486000  -1.145000      2.972000  
1 1 1 4  16 6  o 71.91000 1.111000  0.9237000      2.221000  
1 1 1 4  16 8  o 83.50000 1.153000  -1.607000      2.306000  
1 1 1 4  16 10 o 112.9000 1.489000  0.2972000      2.978000  
1 1 1 4  16 12 o 63.61000 1.046000  -3.496000      2.092000  
1 1 1 4  16 14 o 63.40000 1.064000  -2.276000      2.127000  
1 1 1 4  16 16 o 191.2000 2.669000  -3.314000      5.337000  
1 1 1 4  16 18 o 29.27000 3.077000  -8.681000      6.155000  
1 1 1 4  16 20 o 10.35000 3.049000  2.686000       6.098000  
1 1 1 4  16 22 o 15.05000 2.683000  5.969000       5.367000  
1 1 1 4  16 24 o 37.61000 1.612000  3.676000       3.225000  
1 1 1 4  16 26 o 22.07000 0.9392000 -1.877000      1.878000  
1 1 1 4  16 28 o 20.60000 3.242000  0.6669000      6.485000  
1 1 1 4  16 30 o 37.99000 2.328000  -9.879000      4.656000  
1 1 1 4  16 32 o 28.33000 4.400000  3.340000       8.800000  
1 1 1 4  16 34 o 24.58000 3.469000  -6.529000      6.938000  
1 1 1 4  16 36 o 17.22000 3.478000  -1.081000      6.955000  
1 1 1 4  16 38 o 22.26000 3.075000  -4.524000      6.149000  
1 1 1 4  16 40 o 47.91000 2.963000  4.283000       5.925000  
1 1 1 4  16 42 o 32.67000 2.805000  2.414000       5.610000  
1 1 1 4  16 44 o 32.69000 2.118000  -8.028000      4.237000  
1 1 1 4  16 46 o 34.86000 2.244000  -2.019000      4.488000  
1 1 1 4  16 48 o 27.06000 2.316000  8.057000       4.631000  
1 1 1 4  17 1  o 83.02000 1.147000  0.5891000      2.295000  
1 1 1 4  17 3  f 52.52000 0.9045000 -0.6981000     1.809000  
1 1 1 4  17 5  o 104.3000 1.495000  -0.7243000     2.991000  
1 1 1 4  17 7  o 64.68000 0.9926000 -0.1965000     1.985000  
1 1 1 4  17 9  o 71.97000 1.221000  0.8531000      2.441000  
1 1 1 4  17 11 o 72.57000 1.057000  0.2208000      2.113000  
1 1 1 4  17 13 o 73.54000 1.169000  -3.471000      2.337000  
1 1 1 4  17 15 o 93.26000 1.320000  0.7657000      2.640000  
1 1 1 4  17 17 o 90.98000 1.414000  -1.721000      2.828000  
1 1 1 4  17 19 o 62.08000 1.568000  -5.551000      3.137000  
1 1 1 4  17 21 o 97.32000 1.668000  2.808000       3.336000  
1 1 1 4  17 23 o 98.38000 1.624000  0.8399000      3.248000  
1 1 1 4  17 25 o 40.86000 1.321000  3.979000       2.642000  
1 1 1 4  17 27 o 85.10000 1.324000  -3.586000      2.647000  
1 1 1 4  17 29 o 43.06000 0.8819000 -5.954000      1.764000  
1 1 1 4  17 31 o 24.77000 4.186000  -8.534000      8.372000  
1 1 1 4  17 33 o 19.30000 3.416000  -6.166000      6.832000  
1 1 1 4  17 35 o 39.89000 2.166000  2.098000       4.332000  
1 1 1 4  17 37 o 14.19000 3.988000  8.973000       7.975000  
1 1 1 4  17 39 o 26.19000 3.904000  -4.978000      7.808000  
1 1 1 4  17 41 o 15.16000 3.634000  0.8513000      7.267000  
1 1 1 4  17 43 o 21.79000 3.355000  -6.403000      6.711000  
1 1 1 4  17 45 o 41.88000 1.895000  8.115000       3.790000  
1 1 1 4  17 47 o 12.34000 3.559000  9.348000       7.118000  
1 1 1 4  18 0  o 8.689000 3.333000  0.000000       0.000000  
1 1 1 4  18 2  f 51.61000 0.9312000 -2.036000      1.862000  
1 1 1 4  18 4  o 64.59000 1.005000  1.334000       2.009000  
1 1 1 4  18 6  o 9.886000 2.496000  0.3819000      4.992000  
1 1 1 4  18 8  o 115.0000 1.758000  -2.490000      3.516000  
1 1 1 4  18 10 o 121.7000 1.735000  2.817000       3.470000  
1 1 1 4  18 12 o 94.99000 1.728000  -1.001000      3.456000  
1 1 1 4  18 14 o 149.8000 1.964000  2.332000       3.927000  
1 1 1 4  18 16 o 38.13000 1.827000  -4.740000      3.654000  
1 1 1 4  18 18 o 102.9000 1.872000  5.364000       3.744000  
1 1 1 4  18 20 o 43.93000 1.428000  5.890000       2.857000  
1 1 1 4  18 22 o 34.83000 1.426000  -3.495000      2.851000  
1 1 1 4  18 24 o 12.98000 2.576000  0.5231000      5.151000  
1 1 1 4  18 26 o 33.89000 0.8557000 -0.8612000     1.711000  
1 1 1 4  18 28 o 38.44000 0.9704000 2.266000       1.941000  
1 1 1 4  18 30 o 52.32000 0.9667000 -2.730000      1.933000  
1 1 1 4  18 32 f 20.05000 3.499000  1.382000       6.998000  
1 1 1 4  18 34 o 52.90000 2.075000  2.650000       4.150000  
1 1 1 4  18 36 f 31.62000 3.111000  -2.212000      6.223000  
1 1 1 4  18 38 o 13.50000 4.058000  7.906000       8.117000  
1 1 1 4  18 40 o 34.05000 2.373000  -3.051000      4.746000  
1 1 1 4  18 42 o 25.99000 2.869000  5.000000       5.738000  
1 1 1 4  18 44 o 24.97000 4.701000  -3.518000      9.402000  
1 1 1 4  18 46 o 12.21000 3.523000  4.634000       7.045000  
1 1 1 4  19 1  o 59.49000 0.9932000 0.9952000      1.986000  
1 1 1 4  19 3  o 50.74000 0.9807000 -0.2913000E-01 1.961000  
1 1 1 4  19 5  o 91.58000 1.271000  -0.3023000     2.541000  
1 1 1 4  19 7  o 53.99000 0.9991000 0.7578000      1.998000  
1 1 1 4  19 9  o 120.6000 1.723000  -3.579000      3.446000  
1 1 1 4  19 11 o 113.6000 1.664000  1.439000       3.327000  
1 1 1 4  19 13 o 23.48000 2.826000  4.581000       5.651000  
1 1 1 4  19 15 o 104.6000 1.649000  3.757000       3.299000  
1 1 1 4  19 17 o 72.47000 1.853000  -2.360000      3.707000  
1 1 1 4  19 19 o 28.25000 1.848000  7.227000       3.696000  
1 1 1 4  19 21 o 36.17000 1.344000  -0.3199000     2.689000  
1 1 1 4  19 23 f 85.92000 1.330000  -5.178000      2.659000  
1 1 1 4  19 25 o 57.87000 1.385000  0.5210000      2.770000  
1 1 1 4  19 27 o 48.72000 0.9911000 5.055000       1.982000  
1 1 1 4  19 29 o 30.75000 0.8598000 -0.6932000     1.720000  
1 1 1 4  19 31 o 23.11000 0.8791000 -2.280000      1.758000  
1 1 1 4  19 33 o 23.92000 3.401000  2.565000       6.801000  
1 1 1 4  19 35 o 12.60000 3.433000  3.472000       6.866000  
1 1 1 4  19 37 o 12.33000 3.858000  3.960000       7.715000  
1 1 1 4  19 39 o 9.104000 3.112000  3.343000       6.224000  
1 1 1 4  19 41 o 32.66000 2.835000  2.336000       5.669000  
1 1 1 4  19 43 o 20.87000 3.487000  7.636000       6.974000  
1 1 1 4  19 45 o 9.465000 3.037000  4.992000       6.075000  
1 1 1 4  19 47 o 11.20000 3.325000  ?              ?         
1 1 1 4  20 0  o 74.91000 1.581000  0.000000       0.000000  
1 1 1 4  20 2  o 58.95000 1.025000  0.8005000      2.049000  
1 1 1 4  20 4  o 34.24000 1.208000  0.9287000      2.416000  
1 1 1 4  20 6  o 22.79000 1.655000  1.670000       3.310000  
1 1 1 4  20 8  o 107.4000 1.480000  -1.107000      2.960000  
1 1 1 4  20 10 o 29.45000 1.657000  4.189000       3.314000  
1 1 1 4  20 12 o 126.9000 1.874000  -1.440000      3.748000  
1 1 1 4  20 14 o 109.9000 1.671000  5.328000       3.342000  
1 1 1 4  20 16 o 124.3000 1.998000  -2.029000      3.996000  
1 1 1 4  20 18 o 11.87000 2.276000  7.762000       4.551000  
1 1 1 4  20 20 o 102.8000 1.535000  0.1872000      3.069000  
1 1 1 4  20 22 o 70.96000 1.384000  -1.158000      2.768000  
1 1 1 4  20 24 o 46.87000 1.245000  0.6466000      2.490000  
1 1 1 4  20 26 o 73.48000 1.258000  5.136000       2.517000  
1 1 1 4  20 28 o 39.04000 0.8962000 -0.9222000     1.792000  
1 1 1 4  20 30 o 55.46000 1.049000  -0.7984000     2.097000  
1 1 1 4  20 32 f 32.57000 0.8573000 -2.335000      1.715000  
1 1 1 4  20 34 o 19.15000 3.728000  2.442000       7.456000  
1 1 1 4  20 36 o 12.13000 3.532000  4.606000       7.065000  
1 1 1 4  20 38 o 15.22000 4.054000  8.139000       8.107000  
1 1 1 4  20 40 o 40.65000 2.484000  -3.681000      4.967000  
1 1 1 4  20 42 o 58.47000 2.022000  14.73000       4.045000  
1 1 1 4  20 44 o 22.24000 3.730000  -3.436000      7.460000  
1 1 1 4  20 46 o 44.52000 2.293000  12.94000       4.587000  
1 1 1 4  21 1  o 37.78000 1.180000  0.2996000      2.360000  
1 1 1 4  21 3  o 58.93000 1.138000  0.7359000      2.277000  
1 1 1 4  21 5  o 104.8000 1.462000  -1.193000      2.923000  
1 1 1 4  21 7  o 52.62000 1.649000  -6.263000      3.297000  
1 1 1 4  21 9  o 103.4000 1.641000  2.383000       3.283000  
1 1 1 4  21 11 o 114.1000 1.790000  1.017000       3.580000  
1 1 1 4  21 13 o 129.5000 3.348000  -12.12000      6.696000  
1 1 1 4  21 15 o 92.06000 1.849000  4.695000       3.699000  
1 1 1 4  21 17 o 105.2000 2.305000  3.606000       4.610000  
1 1 1 4  21 19 o 17.75000 2.412000  1.447000       4.824000  
1 1 1 4  21 21 o 65.38000 1.183000  -0.1020000E-01 2.366000  
1 1 1 4  21 23 o 12.57000 2.525000  -0.4758000     5.051000  
1 1 1 4  21 25 o 28.81000 1.954000  -6.517000      3.909000  
1 1 1 4  21 27 f 18.54000 2.397000  2.734000       4.794000  
1 1 1 4  21 29 o 25.14000 0.9229000 -1.625000      1.846000  
1 1 1 4  21 31 o 29.20000 0.8811000 -0.6782000     1.762000  
1 1 1 4  21 33 o 14.95000 1.223000  -0.9059000     2.446000  
1 1 1 4  21 35 o 10.27000 3.246000  6.391000       6.491000  
1 1 1 4  21 37 o 73.39000 2.373000  5.457000       4.745000  
1 1 1 4  21 39 o 25.15000 4.090000  -4.910000      8.181000  
1 1 1 4  21 41 o 29.86000 2.717000  -0.2730000     5.434000  
1 1 1 4  21 43 o 39.02000 2.171000  4.842000       4.342000  
1 1 1 4  21 45 o 13.99000 3.676000  2.261000       7.352000  
1 1 1 4  22 0  o 81.34000 1.833000  0.000000       0.000000  
1 1 1 4  22 2  o 102.4000 1.476000  1.593000       2.951000  
1 1 1 4  22 4  o 70.89000 1.295000  5.181000       2.590000  
1 1 1 4  22 6  o 49.80000 1.606000  -1.525000      3.212000  
1 1 1 4  22 8  o 27.22000 2.731000  1.190000       5.461000  
1 1 1 4  22 12 f 47.94000 3.274000  -7.229000      6.548000  
1 1 1 4  22 14 o 77.43000 1.432000  -0.9265000     2.865000  
1 1 1 4  22 16 o 15.87000 2.915000  -3.366000      5.830000  
1 1 1 4  22 18 o 18.63000 2.230000  8.566000       4.460000  
1 1 1 4  22 20 o 87.05000 1.407000  5.533000       2.814000  
1 1 1 4  22 22 o 35.32000 1.378000  -2.370000      2.757000  
1 1 1 4  22 24 o 93.20000 1.505000  5.277000       3.010000  
1 1 1 4  22 26 o 64.96000 1.469000  4.770000       2.938000  
1 1 1 4  22 28 o 75.80000 1.359000  3.220000       2.718000  
1 1 1 4  22 30 o 21.12000 1.070000  0.3926000      2.140000  
1 1 1 4  22 32 o 24.43000 0.9215000 -1.618000      1.843000  
1 1 1 4  22 34 o 15.35000 1.440000  -3.224000      2.880000  
1 1 1 4  22 36 f 21.45000 2.534000  9.120000       5.067000  
1 1 1 4  22 38 o 14.10000 3.856000  6.070000       7.711000  
1 1 1 4  22 40 o 10.76000 3.193000  2.931000       6.387000  
1 1 1 4  22 42 o 18.23000 5.867000  -5.918000      11.73000  
1 1 1 4  22 44 o 8.435000 2.754000  1.973000       5.508000  
1 1 1 4  23 1  o 71.96000 1.480000  -1.127000      2.959000  
1 1 1 4  23 3  o 32.08000 2.506000  -2.982000      5.012000  
1 1 1 4  23 5  o 33.52000 2.741000  8.368000       5.482000  
1 1 1 4  23 9  o 147.3000 2.379000  -7.496000      4.758000  
1 1 1 4  23 11 o 101.8000 1.810000  -3.818000      3.620000  
1 1 1 4  23 13 o 27.68000 3.152000  1.921000       6.304000  
1 1 1 4  23 15 o 20.35000 2.534000  6.943000       5.068000  
1 1 1 4  23 17 o 21.12000 2.081000  0.1824000      4.161000  
1 1 1 4  23 19 o 27.21000 2.982000  -5.115000      5.964000  
1 1 1 4  23 21 o 49.41000 1.199000  0.6249000      2.399000  
1 1 1 4  23 23 o 33.60000 1.565000  0.5107000      3.131000  
1 1 1 4  23 25 o 27.88000 2.179000  -6.616000      4.357000  
1 1 1 4  23 27 o 52.08000 1.419000  -4.010000      2.837000  
1 1 1 4  23 29 o 37.81000 1.529000  0.4930000      3.059000  
1 1 1 4  23 31 f 60.61000 1.115000  -1.540000      2.230000  
1 1 1 4  23 33 f 31.30000 0.9820000 -1.852000      1.964000  
1 1 1 4  23 35 o 26.00000 4.436000  -23.54000      8.873000  
1 1 1 4  23 37 o 10.99000 2.922000  1.338000       5.844000  
1 1 1 4  23 39 o 13.75000 3.750000  2.749000       7.500000  
1 1 1 4  23 41 o 28.81000 2.871000  -5.426000      5.743000  
1 1 1 4  23 43 o 11.27000 3.191000  5.591000       6.382000  
1 1 1 4  23 45 o 5.198000 2.488000  ?              ?         
1 1 1 4  24 0  o 9.291000 4.621000  0.000000       0.000000  
1 1 1 4  24 2  o 47.71000 2.883000  1.897000       5.767000  
1 1 1 4  24 4  o 140.6000 2.364000  -3.355000      4.727000  
1 1 1 4  24 6  o 125.6000 2.069000  7.983000       4.137000  
1 1 1 4  24 8  o 117.9000 2.013000  -3.548000      4.026000  
1 1 1 4  24 10 o 16.38000 3.650000  6.927000       7.300000  
1 1 1 4  24 12 o 31.44000 2.068000  2.641000       4.136000  
1 1 1 4  24 14 o 16.11000 2.830000  0.1876000      5.660000  
1 1 1 4  24 16 o 16.21000 2.905000  2.260000       5.811000  
1 1 1 4  24 18 o 20.86000 2.342000  0.4508000      4.683000  
1 1 1 4  24 20 o 17.44000 2.612000  -0.3831000     5.223000  
1 1 1 4  24 22 f 23.27000 1.862000  1.102000       3.725000  
1 1 1 4  24 24 o 69.17000 1.192000  3.123000       2.384000  
1 1 1 4  24 26 o 53.78000 1.468000  2.713000       2.935000  
1 1 1 4  24 28 o 44.05000 1.386000  5.589000       2.772000  
1 1 1 4  24 30 o 55.89000 1.386000  -4.135000      2.773000  
1 1 1 4  24 32 o 33.75000 0.9952000 -2.673000      1.990000  
1 1 1 4  24 34 o 35.73000 1.187000  -4.640000      2.374000  
1 1 1 4  24 36 f 7.494000 2.125000  -0.4171000     4.250000  
1 1 1 4  24 38 o 25.05000 3.804000  5.272000       7.608000  
1 1 1 4  24 40 o 13.09000 3.623000  3.204000       7.245000  
1 1 1 4  24 42 o 15.79000 3.254000  -5.132000      6.509000  
1 1 1 4  24 44 o 25.63000 2.425000  0.2183000E-01  4.849000  
1 1 1 4  25 1  o 54.83000 2.242000  -4.009000      4.485000  
1 1 1 4  25 3  f 37.47000 2.956000  2.118000       5.912000  
1 1 1 4  25 5  o 68.98000 2.235000  -1.891000      4.470000  
1 1 1 4  25 7  o 22.67000 3.663000  10.99000       7.326000  
1 1 1 4  25 9  o 25.56000 3.543000  11.05000       7.086000  
1 1 1 4  25 11 o 67.71000 1.312000  4.551000       2.625000  
1 1 1 4  25 13 o 40.05000 1.501000  -1.134000      3.003000  
1 1 1 4  25 15 o 24.24000 2.229000  -3.444000      4.459000  
1 1 1 4  25 17 o 108.9000 1.545000  0.8112000      3.090000  
1 1 1 4  25 19 o 94.25000 1.407000  -0.6506000     2.814000  
1 1 1 4  25 21 o 26.65000 1.745000  1.799000       3.490000  
1 1 1 4  25 23 f 26.06000 1.685000  2.702000       3.370000  
1 1 1 4  25 25 o 27.85000 1.563000  3.749000       3.125000  
1 1 1 4  25 27 o 44.07000 2.199000  -8.168000      4.398000  
1 1 1 4  25 29 o 9.727000 2.917000  7.778000       5.834000  
1 1 1 4  25 31 o 56.02000 1.702000  -4.069000      3.403000  
1 1 1 4  25 33 o 57.02000 1.539000  4.455000       3.078000  
1 1 1 4  25 35 o 9.773000 2.180000  -6.681000      4.361000  
1 1 1 4  25 37 o 17.47000 1.428000  -7.200000      2.857000  
1 1 1 4  25 39 f 16.86000 1.416000  -1.811000      2.832000  
1 1 1 4  25 41 o 30.66000 3.777000  -7.668000      7.555000  
1 1 1 4  25 43 o 18.32000 2.386000  -3.142000      4.772000  
1 1 1 4  26 0  o 57.25000 3.667000  0.000000       0.000000  
1 1 1 4  26 2  o 68.12000 2.011000  7.836000       4.022000  
1 1 1 4  26 4  o 12.39000 3.771000  1.460000       7.542000  
1 1 1 4  26 6  o 77.45000 1.750000  3.395000       3.500000  
1 1 1 4  26 8  o 57.71000 2.398000  -3.789000      4.797000  
1 1 1 4  26 10 o 81.45000 1.391000  -2.876000      2.783000  
1 1 1 4  26 12 o 59.94000 1.377000  2.467000       2.753000  
1 1 1 4  26 14 o 69.40000 1.341000  1.411000       2.683000  
1 1 1 4  26 16 o 43.01000 1.475000  -1.121000      2.949000  
1 1 1 4  26 18 o 35.73000 1.619000  -3.115000      3.238000  
1 1 1 4  26 20 o 38.69000 1.399000  0.2777000E-01  2.797000  
1 1 1 4  26 22 o 25.86000 1.800000  -1.250000      3.600000  
1 1 1 4  26 24 o 30.98000 1.647000  -3.040000      3.293000  
1 1 1 4  26 26 o 40.31000 1.353000  -2.869000      2.707000  
1 1 1 4  26 28 o 40.57000 2.142000  -3.825000      4.284000  
1 1 1 4  26 30 o 28.79000 2.133000  10.58000       4.265000  
1 1 1 4  26 32 o 26.00000 2.991000  -13.42000      5.983000  
1 1 1 4  26 34 o 10.79000 2.741000  6.776000       5.482000  
1 1 1 4  26 36 o 13.50000 1.755000  -3.850000      3.509000  
1 1 1 4  26 38 o 39.00000 1.163000  -2.228000      2.327000  
1 1 1 4  26 40 o 13.65000 3.367000  -6.009000      6.734000  
1 1 1 4  26 42 o 7.817000 2.543000  -0.1071000     5.087000  
1 1 1 4  27 1  f 63.85000 1.755000  -4.771000      3.511000  
1 1 1 4  27 3  o 44.02000 2.394000  -4.084000      4.787000  
1 1 1 4  27 5  o 26.85000 3.261000  5.202000       6.522000  
1 1 1 4  27 7  f 56.38000 1.908000  0.4468000      3.817000  
1 1 1 4  27 9  o 29.67000 2.500000  2.867000       4.999000  
1 1 1 4  27 11 o 68.26000 1.402000  1.347000       2.804000  
1 1 1 4  27 13 o 11.99000 3.342000  -1.482000      6.685000  
1 1 1 4  27 15 o 85.98000 1.444000  2.483000       2.888000  
1 1 1 4  27 17 o 31.87000 1.854000  -5.804000      3.709000  
1 1 1 4  27 19 o 62.52000 1.330000  1.074000       2.660000  
1 1 1 4  27 21 o 54.57000 1.278000  3.419000       2.556000  
1 1 1 4  27 23 o 26.84000 1.898000  4.748000       3.796000  
1 1 1 4  27 25 o 39.50000 1.366000  1.992000       2.732000  
1 1 1 4  27 27 o 34.80000 2.056000  0.4968000      4.113000  
1 1 1 4  27 29 o 20.88000 3.958000  1.112000       7.916000  
1 1 1 4  27 31 o 8.894000 2.616000  -2.211000      5.231000  
1 1 1 4  27 33 o 13.44000 2.379000  -6.994000      4.759000  
1 1 1 4  27 35 o 34.30000 1.142000  0.1055000      2.283000  
1 1 1 4  27 37 o 47.89000 1.250000  0.2464000      2.500000  
1 1 1 4  27 39 o 9.747000 2.120000  -1.811000      4.239000  
1 1 1 4  27 41 o 5.706000 1.866000  -1.520000      3.732000  
1 1 1 4  28 0  o 49.20000 2.356000  0.000000       0.000000  
1 1 1 4  28 2  o 116.9000 2.442000  ?              ?         
1 1 1 4  28 4  o 62.99000 1.894000  -0.1525000     3.789000  
1 1 1 4  28 6  o 34.02000 2.670000  -2.467000      5.341000  
1 1 1 4  28 8  o 56.28000 1.820000  0.7160000      3.640000  
1 1 1 4  28 10 o 32.75000 2.684000  -7.034000      5.368000  
1 1 1 4  28 12 o 43.21000 1.723000  -1.326000      3.446000  
1 1 1 4  28 14 o 95.14000 1.497000  -1.020000      2.994000  
1 1 1 4  28 16 o 72.85000 1.406000  0.9028000      2.812000  
1 1 1 4  28 18 o 55.35000 1.458000  1.220000       2.916000  
1 1 1 4  28 20 o 18.00000 2.863000  3.338000       5.727000  
1 1 1 4  28 22 o 18.27000 2.827000  0.9640000      5.654000  
1 1 1 4  28 24 o 36.01000 1.594000  4.836000       3.188000  
1 1 1 4  28 26 o 29.59000 1.603000  0.3194000      3.206000  
1 1 1 4  28 28 o 41.04000 2.244000  -0.4716000     4.488000  
1 1 1 4  28 30 o 9.681000 3.045000  2.962000       6.089000  
1 1 1 4  28 32 o 18.60000 2.745000  -5.543000      5.491000  
1 1 1 4  28 34 o 12.44000 3.733000  5.721000       7.466000  
1 1 1 4  28 36 f 27.69000 1.203000  0.8714000      2.405000  
1 1 1 4  28 38 o 32.78000 1.119000  -3.612000      2.238000  
1 1 1 4  28 40 o 8.924000 2.117000  2.433000       4.233000  
1 1 1 4  28 42 o 18.55000 4.364000  ?              ?         
1 1 1 4  29 1  o 111.6000 2.611000  -2.191000      5.223000  
1 1 1 4  29 3  o 33.84000 2.496000  1.697000       4.992000  
1 1 1 4  29 5  o 86.90000 1.897000  1.094000       3.794000  
1 1 1 4  29 7  o 82.09000 1.747000  -2.378000      3.495000  
1 1 1 4  29 9  o 96.72000 1.592000  1.169000       3.184000  
1 1 1 4  29 11 o 64.50000 1.762000  -0.7168000     3.523000  
1 1 1 4  29 13 o 31.83000 2.824000  -1.355000      5.647000  
1 1 1 4  29 15 o 60.42000 1.709000  2.643000       3.418000  
1 1 1 4  29 17 o 18.84000 3.215000  -4.404000      6.430000  
1 1 1 4  29 19 o 14.12000 3.416000  0.7873000      6.833000  
1 1 1 4  29 21 o 11.16000 3.062000  -0.5055000     6.125000  
1 1 1 4  29 23 o 16.61000 2.905000  7.706000       5.810000  
1 1 1 4  29 25 o 23.41000 2.211000  -4.443000      4.422000  
1 1 1 4  29 27 o 15.44000 2.940000  6.600000       5.881000  
1 1 1 4  29 29 o 27.36000 3.941000  -11.62000      7.882000  
1 1 1 4  29 31 o 11.14000 5.116000  ?              ?         
1 1 1 4  29 33 o 16.03000 3.878000  3.607000       7.757000  
1 1 1 4  29 35 o 10.23000 2.563000  -1.601000      5.127000  
1 1 1 4  29 37 o 21.31000 1.395000  -1.530000      2.790000  
1 1 1 4  29 39 o 7.026000 2.000000  0.3761000      4.000000  
1 1 1 4  29 41 f 12.43000 3.470000  4.986000       6.940000  
1 1 1 4  30 0  o 11.16000 4.854000  0.000000       0.000000  
1 1 1 4  30 2  o 19.48000 4.286000  -0.8850000     8.572000  
1 1 1 4  30 4  o 42.83000 2.742000  -1.397000      5.484000  
1 1 1 4  30 6  o 85.22000 2.210000  -0.7815000     4.420000  
1 1 1 4  30 8  o 20.43000 4.511000  0.2012000      9.022000  
1 1 1 4  30 10 o 14.20000 3.980000  -0.7081000     7.960000  
1 1 1 4  30 12 o 21.44000 3.713000  -1.306000      7.425000  
1 1 1 4  30 14 o 38.25000 2.499000  -1.835000      4.997000  
1 1 1 4  30 16 o 32.35000 2.806000  -1.946000      5.612000  
1 1 1 4  30 18 o 35.50000 2.610000  0.3214000      5.219000  
1 1 1 4  30 20 o 52.85000 1.481000  -1.175000      2.962000  
1 1 1 4  30 22 o 29.34000 1.934000  -1.717000      3.868000  
1 1 1 4  30 24 o 10.50000 3.083000  -2.281000      6.165000  
1 1 1 4  30 26 o 45.17000 1.691000  7.264000       3.382000  
1 1 1 4  30 30 o 7.442000 3.713000  ?              ?         
1 1 1 4  30 32 o 26.32000 2.910000  7.046000       5.819000  
1 1 1 4  30 34 o 9.844000 2.811000  1.867000       5.622000  
1 1 1 4  30 36 o 27.31000 1.243000  -1.729000      2.486000  
1 1 1 4  30 38 f 6.991000 2.194000  -0.2756000     4.387000  
1 1 1 4  30 40 o 11.39000 3.482000  8.467000       6.964000  
1 1 1 4  31 1  o 43.09000 2.254000  -0.4145000     4.507000  
1 1 1 4  31 3  o 45.51000 2.176000  -0.1655000     4.351000  
1 1 1 4  31 5  o 30.02000 3.569000  -4.231000      7.138000  
1 1 1 4  31 7  o 21.68000 4.199000  -1.501000      8.398000  
1 1 1 4  31 9  o 105.9000 1.828000  0.9539000      3.656000  
1 1 1 4  31 11 o 57.65000 1.784000  0.3920000      3.567000  
1 1 1 4  31 13 o 37.74000 2.366000  -0.3312000     4.732000  
1 1 1 4  31 15 o 28.08000 3.278000  4.724000       6.555000  
1 1 1 4  31 17 o 14.69000 3.852000  2.079000       7.704000  
1 1 1 4  31 19 o 33.93000 2.905000  -5.606000      5.809000  
1 1 1 4  31 21 o 17.15000 4.220000  6.000000       8.439000  
1 1 1 4  31 23 f 44.86000 2.312000  2.629000       4.624000  
1 1 1 4  31 25 o 24.92000 3.499000  3.983000       6.999000  
1 1 1 4  31 27 o 16.64000 3.582000  7.297000       7.165000  
1 1 1 4  31 29 o 10.06000 3.154000  9.199000       6.308000  
1 1 1 4  31 31 o 16.28000 3.463000  -0.1764000     6.926000  
1 1 1 4  31 33 o 11.02000 2.576000  8.035000       5.153000  
1 1 1 4  31 35 o 10.58000 3.020000  2.880000       6.040000  
1 1 1 4  31 37 o 9.826000 2.130000  5.461000       4.259000  
1 1 1 4  31 39 f 8.061000 2.566000  0.3395000      5.131000  
1 1 1 4  32 0  o 12.46000 5.307000  0.000000       0.000000  
1 1 1 4  32 2  o 40.02000 2.344000  -2.710000      4.688000  
1 1 1 4  32 4  o 14.81000 4.178000  -3.249000      8.355000  
1 1 1 4  32 6  o 40.49000 2.357000  0.4358000      4.714000  
1 1 1 4  32 8  o 78.59000 1.783000  -3.440000      3.566000  
1 1 1 4  32 10 o 53.87000 2.016000  2.149000       4.033000  
1 1 1 4  32 12 o 76.36000 1.773000  -2.418000      3.545000  
1 1 1 4  32 14 o 48.87000 1.849000  2.034000       3.698000  
1 1 1 4  32 16 o 49.48000 1.817000  1.586000       3.635000  
1 1 1 4  32 18 o 27.27000 3.437000  9.137000       6.874000  
1 1 1 4  32 20 o 13.19000 3.727000  -0.6480000     7.453000  
1 1 1 4  32 22 o 23.44000 3.315000  2.388000       6.630000  
1 1 1 4  32 24 o 12.64000 3.861000  2.614000       7.721000  
1 1 1 4  32 26 o 70.41000 3.402000  13.55000       6.803000  
1 1 1 4  32 28 o 8.585000 2.921000  6.001000       5.843000  
1 1 1 4  32 30 o 15.99000 4.613000  8.825000       9.226000  
1 1 1 4  32 32 o 10.59000 3.034000  4.699000       6.068000  
1 1 1 4  32 34 o 15.45000 3.310000  0.2495000      6.619000  
1 1 1 4  32 36 f 19.44000 1.599000  1.987000       3.198000  
1 1 1 4  32 38 f 7.988000 3.822000  ?              ?         
1 1 1 4  33 1  o 52.16000 2.245000  -1.473000      4.490000  
1 1 1 4  33 3  f 65.33000 1.764000  -0.5694000     3.528000  
1 1 1 4  33 5  o 21.48000 4.556000  -1.924000      9.112000  
1 1 1 4  33 7  o 42.89000 2.353000  -0.3205000     4.705000  
1 1 1 4  33 9  o 47.86000 2.066000  -1.557000      4.133000  
1 1 1 4  33 11 o 53.39000 1.998000  -1.774000      3.995000  
1 1 1 4  33 13 o 73.19000 1.636000  -1.154000      3.272000  
1 1 1 4  33 15 o 18.93000 4.235000  -6.093000      8.470000  
1 1 1 4  33 17 o 48.48000 2.085000  4.580000       4.170000  
1 1 1 4  33 19 o 24.67000 3.899000  5.011000       7.799000  
1 1 1 4  33 21 o 36.99000 2.796000  -0.3074000     5.592000  
1 1 1 4  33 23 o 37.35000 3.310000  18.39000       6.619000  
1 1 1 4  33 25 o 49.67000 1.748000  -7.352000      3.496000  
1 1 1 4  33 27 o 17.13000 2.978000  3.409000       5.956000  
1 1 1 4  33 29 o 22.47000 4.342000  -5.084000      8.684000  
1 1 1 4  33 31 o 19.96000 3.097000  -4.577000      6.193000  
1 1 1 4  33 33 o 24.96000 4.700000  0.1209000      9.401000  
1 1 1 4  33 35 o 8.554000 2.817000  2.901000       5.633000  
1 1 1 4  33 37 o 15.81000 2.849000  -10.95000      5.699000  
1 1 1 4  34 0  o 32.65000 6.625000  0.000000       0.000000  
1 1 1 4  34 2  o 19.07000 4.581000  -2.514000      9.162000  
1 1 1 4  34 4  o 22.47000 4.894000  1.692000       9.788000  
1 1 1 4  34 6  o 40.88000 2.444000  -0.3708000     4.888000  
1 1 1 4  34 8  o 14.61000 4.119000  -1.465000      8.238000  
1 1 1 4  34 10 o 37.28000 2.649000  1.692000       5.299000  
1 1 1 4  34 12 o 44.59000 2.069000  -3.723000      4.139000  
1 1 1 4  34 14 o 40.01000 2.504000  5.560000       5.007000  
1 1 1 4  34 16 o 11.41000 3.497000  -3.133000      6.993000  
1 1 1 4  34 18 o 17.90000 4.865000  -11.10000      9.730000  
1 1 1 4  34 20 o 17.14000 3.228000  10.28000       6.457000  
1 1 1 4  34 26 o 18.90000 3.613000  5.449000       7.226000  
1 1 1 4  34 28 o 43.72000 1.868000  0.5505000      3.736000  
1 1 1 4  34 30 o 35.52000 1.824000  -0.2689000     3.648000  
1 1 1 4  34 32 o 10.18000 3.163000  4.116000       6.326000  
1 1 1 4  34 34 o 9.695000 3.293000  6.832000       6.586000  
1 1 1 4  34 36 o 7.481000 2.332000  -3.682000      4.664000  
1 1 1 4  35 1  o 29.45000 3.492000  -3.197000      6.984000  
1 1 1 4  35 3  o 25.62000 4.069000  0.9749000      8.137000  
1 1 1 4  35 5  o 16.14000 4.407000  0.2062000      8.815000  
1 1 1 4  35 7  o 17.19000 4.428000  -3.681000      8.856000  
1 1 1 4  35 9  o 19.56000 3.985000  8.324000       7.970000  
1 1 1 4  35 11 o 56.66000 2.006000  0.2348000      4.012000  
1 1 1 4  35 13 o 27.34000 3.186000  -2.369000      6.372000  
1 1 1 4  35 15 o 14.33000 4.309000  -2.537000      8.617000  
1 1 1 4  35 17 o 33.24000 3.184000  6.515000       6.369000  
1 1 1 4  35 19 o 14.70000 4.122000  5.486000       8.245000  
1 1 1 4  35 21 o 54.22000 2.397000  2.701000       4.793000  
1 1 1 4  35 23 o 6.100000 3.055000  ?              ?         
1 1 1 4  35 25 o 15.04000 3.887000  -0.1206000     7.773000  
1 1 1 4  35 27 o 27.64000 2.312000  -3.550000      4.623000  
1 1 1 4  35 29 o 14.16000 3.702000  -7.985000      7.405000  
1 1 1 4  35 31 o 10.68000 3.116000  2.459000       6.232000  
1 1 1 4  35 33 o 9.592000 3.031000  6.545000       6.062000  
1 1 1 4  35 35 o 9.345000 2.645000  -1.973000      5.289000  
1 1 1 4  36 0  o 34.04000 4.224000  0.000000       0.000000  
1 1 1 4  36 2  o 20.70000 4.687000  -0.9975000     9.374000  
1 1 1 4  36 4  o 32.02000 3.596000  0.7172000      7.191000  
1 1 1 4  36 6  o 25.02000 4.023000  -3.156000      8.047000  
1 1 1 4  36 8  o 18.29000 4.507000  1.437000       9.013000  
1 1 1 4  36 10 o 17.64000 4.692000  -3.484000      9.383000  
1 1 1 4  36 12 o 34.54000 3.040000  1.033000       6.081000  
1 1 1 4  36 14 o 49.03000 2.610000  1.263000       5.221000  
1 1 1 4  36 16 o 25.51000 2.733000  12.12000       5.467000  
1 1 1 4  36 20 o 15.58000 4.165000  5.012000       8.330000  
1 1 1 4  36 22 f 6.352000 2.206000  1.514000       4.411000  
1 1 1 4  36 24 o 19.20000 4.210000  -0.7824000     8.419000  
1 1 1 4  36 26 o 19.35000 3.436000  -2.159000      6.871000  
1 1 1 4  36 28 o 19.96000 3.070000  3.449000       6.139000  
1 1 1 4  36 30 o 24.09000 2.780000  0.2649000      5.560000  
1 1 1 4  36 32 o 6.793000 3.305000  ?              ?         
1 1 1 4  36 34 o 12.04000 3.415000  8.902000       6.830000  
1 1 1 4  37 1  f 25.18000 4.276000  -4.125000      8.551000  
1 1 1 4  37 3  o 29.93000 3.858000  2.516000       7.717000  
1 1 1 4  37 5  o 18.63000 4.656000  -0.3655000     9.311000  
1 1 1 4  37 7  o 32.55000 3.322000  4.732000       6.643000  
1 1 1 4  37 9  o 49.46000 2.512000  4.043000       5.024000  
1 1 1 4  37 11 o 45.49000 2.661000  -5.031000      5.322000  
1 1 1 4  37 13 o 17.95000 3.381000  7.612000       6.762000  
1 1 1 4  37 15 o 21.85000 6.128000  ?              ?         
1 1 1 4  37 17 o 64.98000 1.552000  6.000000       3.104000  
1 1 1 4  37 21 o 14.89000 4.301000  -3.939000      8.602000  
1 1 1 4  37 23 o 16.76000 3.927000  4.992000       7.853000  
1 1 1 4  37 25 o 16.75000 4.329000  1.014000       8.657000  
1 1 1 4  37 27 o 14.07000 3.568000  -0.8472000     7.136000  
1 1 1 4  37 29 o 11.01000 2.898000  4.484000       5.797000  
1 1 1 4  37 31 o 10.72000 4.638000  ?              ?         
1 1 1 4  38 0  o 32.68000 4.904000  0.000000       0.000000  
1 1 1 4  38 2  o 22.11000 6.269000  -4.071000      12.54000  
1 1 1 4  38 4  o 35.24000 3.551000  8.358000       7.102000  
1 1 1 4  38 6  o 35.78000 3.630000  6.030000       7.259000  
1 1 1 4  38 8  o 22.35000 3.284000  1.627000       6.568000  
1 1 1 4  38 10 o 17.20000 3.606000  7.950000       7.212000  
1 1 1 4  38 12 f 9.251000 3.140000  -0.4178000     6.279000  
1 1 1 4  38 14 o 92.32000 1.723000  1.249000       3.446000  
1 1 1 4  38 16 o 31.63000 8.656000  ?              ?         
1 1 1 4  38 18 o 14.23000 2.716000  8.279000       5.431000  
1 1 1 4  38 20 o 20.61000 4.497000  2.378000       8.994000  
1 1 1 4  38 22 o 17.18000 3.642000  -5.239000      7.283000  
1 1 1 4  38 24 o 13.56000 3.675000  -2.250000      7.349000  
1 1 1 4  38 26 o 10.15000 3.199000  1.070000       6.399000  
1 1 1 4  38 28 o 10.68000 2.900000  3.722000       5.799000  
1 1 1 4  38 30 o 20.49000 2.311000  0.3570000      4.622000  
1 1 1 4  39 1  o 12.71000 3.471000  7.450000       6.943000  
1 1 1 4  39 3  o 10.09000 3.404000  3.161000       6.809000  
1 1 1 4  39 5  o 7.079000 3.537000  ?              ?         
1 1 1 4  39 9  o 10.81000 5.184000  ?              ?         
1 1 1 4  39 11 o 63.48000 1.510000  -0.4301000     3.019000  
1 1 1 4  39 15 o 6.119000 2.083000  2.266000       4.165000  
1 1 1 4  39 17 o 13.52000 4.186000  -3.013000      8.372000  
1 1 1 4  39 19 o 23.85000 4.571000  2.539000       9.142000  
1 1 1 4  39 21 o 29.99000 3.580000  -7.300000      7.161000  
1 1 1 4  39 23 o 17.91000 3.867000  -4.525000      7.734000  
1 1 1 4  39 25 o 12.35000 3.545000  -1.100000      7.090000  
1 1 1 4  39 27 o 7.220000 2.445000  2.114000       4.890000  
1 1 1 4  39 29 o 20.01000 1.850000  0.3104000      3.700000  
1 1 1 4  40 2  o 28.74000 4.009000  16.18000       8.019000  
1 1 1 4  40 4  o 55.34000 1.707000  -4.657000      3.414000  
1 1 1 4  40 6  o 40.95000 4.063000  -19.04000      8.126000  
1 1 1 4  40 12 o 9.202000 2.649000  0.7236000      5.298000  
1 1 1 4  40 14 o 25.54000 4.638000  -0.1805000     9.276000  
1 1 1 4  40 16 o 42.50000 2.927000  9.723000       5.854000  
1 1 1 4  40 18 o 32.14000 2.940000  4.357000       5.880000  
1 1 1 4  40 20 o 14.10000 3.893000  -0.2676000     7.786000  
1 1 1 4  40 22 o 11.22000 3.514000  0.4666000      7.028000  
1 1 1 4  40 24 o 10.23000 2.972000  3.708000       5.944000  
1 1 1 4  40 26 o 7.350000 3.519000  ?              ?         
1 1 1 4  40 28 o 5.587000 1.919000  0.5074000E-01  3.839000  
1 1 1 4  41 5  o 6.667000 2.263000  1.599000       4.525000  
1 1 1 4  41 7  o 7.639000 2.493000  2.300000       4.987000  
1 1 1 4  41 9  o 36.30000 4.562000  4.832000       9.123000  
1 1 1 4  41 11 o 18.90000 4.889000  -3.408000      9.778000  
1 1 1 4  41 13 o 18.01000 4.865000  -2.964000      9.729000  
1 1 1 4  41 15 o 13.23000 3.990000  0.9317000      7.980000  
1 1 1 4  41 17 o 20.77000 4.101000  2.182000       8.202000  
1 1 1 4  41 19 o 14.73000 4.169000  -0.4294000     8.338000  
1 1 1 4  41 21 o 24.97000 3.506000  2.326000       7.013000  
1 1 1 4  41 23 o 8.560000 2.755000  2.118000       5.510000  
1 1 1 4  41 25 f 25.82000 2.788000  -9.461000      5.577000  
1 1 1 4  42 0  f 24.38000 8.940000  0.000000       0.000000  
1 1 1 4  42 2  o 17.85000 5.304000  0.6915000      10.61000  
1 1 1 4  42 4  o 16.23000 4.989000  2.422000       9.977000  
1 1 1 4  42 6  o 21.21000 5.734000  -2.389000      11.47000  
1 1 1 4  42 8  o 14.56000 4.599000  2.023000       9.198000  
1 1 1 4  42 10 o 15.18000 3.796000  0.4488000      7.592000  
1 1 1 4  42 12 o 23.66000 4.482000  -0.8844000     8.963000  
1 1 1 4  42 14 o 36.79000 2.834000  -5.769000      5.668000  
1 1 1 4  42 16 o 26.10000 4.244000  4.673000       8.487000  
1 1 1 4  42 18 o 18.81000 4.337000  -0.4697000     8.675000  
1 1 1 4  42 20 o 9.036000 2.853000  2.495000       5.707000  
1 1 1 4  42 22 o 7.898000 2.692000  2.771000       5.385000  
1 1 1 4  42 24 o 11.91000 2.768000  -4.703000      5.537000  
1 1 1 4  43 1  o 16.38000 4.045000  -2.277000      8.089000  
1 1 1 4  43 3  o 17.96000 4.152000  -1.259000      8.304000  
1 1 1 4  43 5  f 17.01000 5.077000  0.1597000      10.15000  
1 1 1 4  43 7  o 9.669000 3.199000  -1.274000      6.398000  
1 1 1 4  43 9  o 14.44000 3.890000  -3.203000      7.781000  
1 1 1 4  43 11 o 13.70000 3.582000  3.001000       7.163000  
1 1 1 4  43 13 o 15.15000 4.444000  -1.142000      8.889000  
1 1 1 4  43 15 o 14.94000 4.226000  2.970000       8.452000  
1 1 1 4  43 17 o 10.01000 3.087000  1.104000       6.173000  
1 1 1 4  43 19 o 9.624000 3.064000  3.484000       6.128000  
1 1 1 4  43 21 o 32.79000 1.351000  -2.912000      2.702000  
1 1 1 4  43 23 o 16.69000 4.008000  4.064000       8.017000  
1 1 1 4  44 0  o 12.84000 5.289000  0.000000       0.000000  
1 1 1 4  44 2  o 10.47000 3.340000  1.083000       6.680000  
1 1 1 4  44 4  o 17.20000 3.522000  9.999000       7.043000  
1 1 1 4  44 6  o 12.08000 3.823000  -0.1698000     7.647000  
1 1 1 4  44 8  o 17.81000 4.977000  0.9519000      9.953000  
1 1 1 4  44 10 o 15.76000 4.286000  5.605000       8.572000  
1 1 1 4  44 12 o 19.04000 4.768000  -1.239000      9.536000  
1 1 1 4  44 14 o 16.02000 3.702000  6.134000       7.404000  
1 1 1 4  44 16 o 9.198000 3.172000  -3.001000      6.344000  
1 1 1 4  44 18 o 13.43000 2.599000  -1.405000      5.199000  
1 1 1 4  44 20 f 6.293000 2.123000  2.160000       4.246000  
1 1 1 4  45 1  o 14.83000 4.228000  -1.134000      8.456000  
1 1 1 4  45 3  f 23.97000 4.020000  8.242000       8.039000  
1 1 1 4  45 5  o 17.09000 4.263000  3.491000       8.526000  
1 1 1 4  45 7  o 21.07000 4.352000  3.760000       8.705000  
1 1 1 4  45 9  o 9.397000 2.959000  0.9499000      5.918000  
1 1 1 4  45 11 o 7.710000 2.630000  -0.1976000     5.259000  
1 1 1 4  45 13 o 7.202000 2.511000  -0.5072000     5.022000  
1 1 1 4  45 15 o 23.88000 2.046000  -5.045000      4.092000  
1 1 1 4  45 17 o 5.833000 1.967000  1.035000       3.934000  
1 1 1 4  46 0  o 8.138000 3.703000  0.000000       0.000000  
1 1 1 4  46 2  f 7.389000 2.479000  -0.4952000E-01 4.959000  
1 1 1 4  46 4  o 7.441000 2.499000  -0.3324000E-01 4.998000  
1 1 1 4  46 6  o 7.003000 2.410000  -0.9628000     4.819000  
1 1 1 4  46 8  o 7.151000 2.472000  0.3093000      4.943000  
1 1 1 4  46 12 o 41.82000 1.449000  -2.170000      2.898000  
1 1 1 4  46 14 o 6.384000 2.182000  -0.3581000     4.364000  
1 1 1 4  47 1  o 5.782000 1.981000  -0.7318000E-01 3.963000  
1 1 1 4  47 3  o 10.05000 2.795000  -5.360000      5.591000  
1 1 1 4  47 5  o 32.49000 1.282000  -1.892000      2.563000  
1 1 1 4  47 7  o 37.22000 1.558000  6.186000       3.116000  
1 1 1 4  47 9  f 5.628000 1.971000  -1.258000      3.942000  
1 1 1 4  48 2  o 16.85000 5.125000  ?              ?         
1 1 1 5  0  1  o 9.635000 0.5595000 0.000000       0.000000  
1 1 1 5  0  3  o 43.24000 0.8048000 0.000000       0.000000  
1 1 1 5  0  5  o 112.2000 2.025000  0.000000       0.000000  
1 1 1 5  0  7  o 34.13000 0.7670000 0.000000       0.000000  
1 1 1 5  0  9  o 9.641000 0.8176000 0.000000       0.000000  
1 1 1 5  0  11 o 35.03000 0.8712000 0.000000       0.000000  
1 1 1 5  0  13 o 69.50000 1.290000  0.000000       0.000000  
1 1 1 5  0  15 o 74.67000 1.388000  0.000000       0.000000  
1 1 1 5  0  17 o 103.1000 2.173000  0.000000       0.000000  
1 1 1 5  0  19 o 108.3000 1.981000  0.000000       0.000000  
1 1 1 5  0  21 o 65.07000 1.801000  0.000000       0.000000  
1 1 1 5  0  23 o 7.053000 2.775000  0.000000       0.000000  
1 1 1 5  0  25 o 155.2000 2.878000  0.000000       0.000000  
1 1 1 5  0  27 o 31.86000 1.857000  0.000000       0.000000  
1 1 1 5  0  29 o 37.42000 1.286000  0.000000       0.000000  
1 1 1 5  0  31 o 68.71000 1.474000  0.000000       0.000000  
1 1 1 5  0  33 o 30.57000 1.445000  0.000000       0.000000  
1 1 1 5  0  35 o 25.64000 1.692000  0.000000       0.000000  
1 1 1 5  0  37 o 29.92000 1.573000  0.000000       0.000000  
1 1 1 5  0  39 o 38.34000 1.627000  0.000000       0.000000  
1 1 1 5  0  41 o 49.32000 1.753000  0.000000       0.000000  
1 1 1 5  0  43 o 40.72000 1.723000  0.000000       0.000000  
1 1 1 5  0  45 o 49.19000 1.601000  0.000000       0.000000  
1 1 1 5  0  47 o 44.58000 1.625000  0.000000       0.000000  
1 1 1 5  0  49 o 32.92000 2.230000  0.000000       0.000000  
1 1 1 5  0  51 o 12.13000 4.300000  0.000000       0.000000  
1 1 1 5  1  0  o 43.68000 0.8122000 0.000000       0.000000  
1 1 1 5  1  2  o 140.9000 1.795000  -0.2260000     3.590000  
1 1 1 5  1  4  o 36.19000 0.5080000 -1.077000      1.016000  
1 1 1 5  1  6  o 47.84000 0.6301000 0.7799000E-01  1.260000  
1 1 1 5  1  8  o 101.0000 1.335000  -0.4750000E-01 2.670000  
1 1 1 5  1  10 o 52.91000 0.7032000 0.2693000      1.406000  
1 1 1 5  1  12 o 53.65000 0.7240000 0.1069000      1.448000  
1 1 1 5  1  14 o 42.85000 0.6347000 -0.6377000     1.269000  
1 1 1 5  1  16 o 80.70000 1.379000  0.7455000      2.758000  
1 1 1 5  1  18 o 77.51000 1.102000  2.278000       2.203000  
1 1 1 5  1  20 o 128.2000 1.784000  1.285000       3.567000  
1 1 1 5  1  22 o 105.4000 1.676000  -2.616000      3.353000  
1 1 1 5  1  24 o 52.82000 1.002000  -0.5240000     2.005000  
1 1 1 5  1  26 o 92.20000 1.416000  1.073000       2.832000  
1 1 1 5  1  28 o 73.29000 1.095000  4.911000       2.190000  
1 1 1 5  1  30 o 41.02000 0.8841000 1.841000       1.768000  
1 1 1 5  1  32 o 69.28000 1.114000  -0.4464000     2.227000  
1 1 1 5  1  34 o 27.24000 1.044000  2.525000       2.089000  
1 1 1 5  1  36 o 36.57000 1.198000  0.1600000      2.397000  
1 1 1 5  1  38 o 12.71000 2.100000  1.038000       4.200000  
1 1 1 5  1  40 o 8.856000 2.301000  0.7848000      4.602000  
1 1 1 5  1  42 o 22.50000 1.822000  2.102000       3.645000  
1 1 1 5  1  44 o 9.462000 2.762000  2.299000       5.525000  
1 1 1 5  1  46 o 11.38000 2.422000  -0.3365000     4.844000  
1 1 1 5  1  48 o 23.11000 1.859000  -7.779000      3.719000  
1 1 1 5  1  50 o 16.71000 3.036000  -7.544000      6.072000  
1 1 1 5  2  1  o 59.20000 0.7648000 -0.1222000     1.530000  
1 1 1 5  2  3  o 100.9000 1.289000  1.621000       2.578000  
1 1 1 5  2  5  o 129.2000 1.647000  -0.1717000     3.295000  
1 1 1 5  2  7  o 59.19000 0.7698000 0.6912000      1.540000  
1 1 1 5  2  9  o 45.17000 0.6409000 0.5261000      1.282000  
1 1 1 5  2  11 o 83.80000 1.121000  -0.5495000     2.243000  
1 1 1 5  2  13 o 95.10000 1.227000  -0.8316000     2.455000  
1 1 1 5  2  15 o 58.27000 0.9158000 3.391000       1.832000  
1 1 1 5  2  17 o 53.96000 0.8581000 0.3446000      1.716000  
1 1 1 5  2  19 o 60.80000 1.094000  -1.949000      2.188000  
1 1 1 5  2  21 o 152.6000 2.118000  -4.162000      4.235000  
1 1 1 5  2  23 f 95.68000 1.396000  0.8206000      2.792000  
1 1 1 5  2  25 o 91.33000 1.384000  0.8633000      2.767000  
1 1 1 5  2  27 o 81.27000 1.185000  -2.161000      2.371000  
1 1 1 5  2  29 o 58.43000 1.152000  0.9882000      2.303000  
1 1 1 5  2  31 o 22.34000 1.237000  -1.591000      2.474000  
1 1 1 5  2  33 o 47.47000 0.9889000 1.193000       1.978000  
1 1 1 5  2  35 o 30.43000 0.9820000 -0.1499000     1.964000  
1 1 1 5  2  37 f 29.87000 0.9661000 -1.263000      1.932000  
1 1 1 5  2  39 o 43.49000 0.9419000 0.1849000      1.884000  
1 1 1 5  2  41 o 32.71000 1.065000  1.260000       2.131000  
1 1 1 5  2  43 o 39.05000 1.819000  1.175000       3.638000  
1 1 1 5  2  45 o 26.87000 1.309000  0.6841000      2.619000  
1 1 1 5  2  47 o 34.94000 2.026000  -6.642000      4.053000  
1 1 1 5  2  49 o 15.07000 2.398000  -4.655000      4.797000  
1 1 1 5  2  51 o 7.490000 2.430000  -1.400000      4.861000  
1 1 1 5  3  0  o 131.8000 2.377000  0.000000       0.000000  
1 1 1 5  3  2  o 49.09000 0.6441000 -1.480000      1.288000  
1 1 1 5  3  4  o 90.86000 1.167000  0.6887000      2.334000  
1 1 1 5  3  6  o 32.74000 0.4707000 -1.559000      0.9414000 
1 1 1 5  3  8  o 34.25000 0.5688000 0.6862000      1.138000  
1 1 1 5  3  10 o 21.81000 0.4956000 -0.9014000     0.9911000 
1 1 1 5  3  12 o 43.97000 0.6582000 0.2149000      1.316000  
1 1 1 5  3  14 o 102.0000 1.619000  2.664000       3.239000  
1 1 1 5  3  16 o 53.31000 0.8019000 1.624000       1.604000  
1 1 1 5  3  18 o 79.52000 1.286000  -1.762000      2.571000  
1 1 1 5  3  20 o 114.0000 1.713000  1.769000       3.426000  
1 1 1 5  3  22 o 39.43000 1.053000  3.212000       2.105000  
1 1 1 5  3  24 o 47.06000 1.738000  4.173000       3.476000  
1 1 1 5  3  26 o 67.72000 1.472000  -7.127000      2.945000  
1 1 1 5  3  28 o 34.33000 0.9385000 -3.458000      1.877000  
1 1 1 5  3  30 o 53.91000 1.065000  -1.377000      2.131000  
1 1 1 5  3  32 o 19.66000 1.202000  1.522000       2.405000  
1 1 1 5  3  34 o 59.09000 0.9643000 -0.2477000     1.929000  
1 1 1 5  3  36 o 11.60000 1.768000  1.127000       3.537000  
1 1 1 5  3  38 o 48.02000 0.9331000 -0.8637000     1.866000  
1 1 1 5  3  40 o 58.78000 1.025000  1.974000       2.049000  
1 1 1 5  3  42 o 39.74000 1.216000  -2.080000      2.431000  
1 1 1 5  3  44 o 5.038000 1.739000  -0.8349000     3.478000  
1 1 1 5  3  46 o 10.21000 2.552000  -2.837000      5.103000  
1 1 1 5  3  48 o 33.47000 1.238000  -0.2125000     2.476000  
1 1 1 5  3  50 o 33.20000 1.717000  2.444000       3.433000  
1 1 1 5  4  1  o 47.37000 0.6527000 0.6823000      1.305000  
1 1 1 5  4  3  o 54.93000 0.7213000 0.7222000E-01  1.443000  
1 1 1 5  4  5  o 49.30000 0.6560000 -1.180000      1.312000  
1 1 1 5  4  7  o 90.08000 1.159000  1.198000       2.319000  
1 1 1 5  4  9  o 30.02000 0.4764000 -1.331000      0.9528000 
1 1 1 5  4  11 o 66.21000 0.9549000 1.209000       1.910000  
1 1 1 5  4  13 o 97.59000 1.500000  1.919000       2.999000  
1 1 1 5  4  15 o 35.22000 0.6643000 1.003000       1.329000  
1 1 1 5  4  17 o 64.70000 1.034000  1.478000       2.069000  
1 1 1 5  4  19 o 47.73000 0.8423000 -0.6401000     1.685000  
1 1 1 5  4  21 o 46.14000 0.9012000 0.8687000      1.802000  
1 1 1 5  4  23 o 109.4000 1.854000  0.6665000      3.709000  
1 1 1 5  4  25 o 90.61000 1.502000  -3.623000      3.004000  
1 1 1 5  4  27 o 46.86000 1.227000  2.648000       2.454000  
1 1 1 5  4  29 o 66.72000 1.038000  -0.3837000     2.076000  
1 1 1 5  4  31 f 24.20000 0.9374000 2.414000       1.875000  
1 1 1 5  4  33 o 85.04000 1.196000  -4.264000      2.392000  
1 1 1 5  4  35 o 43.84000 0.8951000 -1.901000      1.790000  
1 1 1 5  4  37 o 19.70000 1.138000  1.586000       2.276000  
1 1 1 5  4  39 o 24.16000 1.014000  0.3260000      2.027000  
1 1 1 5  4  41 o 14.86000 1.662000  -0.6480000     3.323000  
1 1 1 5  4  43 o 50.04000 1.499000  -6.254000      2.997000  
1 1 1 5  4  45 o 24.56000 1.466000  1.346000       2.931000  
1 1 1 5  4  47 o 25.70000 1.263000  -0.3185000     2.526000  
1 1 1 5  4  49 o 9.775000 2.216000  0.2839000      4.432000  
1 1 1 5  4  51 o 10.36000 3.252000  5.732000       6.505000  
1 1 1 5  5  0  o 25.25000 0.5931000 0.000000       0.000000  
1 1 1 5  5  2  o 93.14000 1.195000  -1.381000      2.391000  
1 1 1 5  5  4  o 69.16000 0.9325000 2.141000       1.865000  
1 1 1 5  5  6  o 124.6000 1.594000  3.590000       3.188000  
1 1 1 5  5  8  o 77.04000 1.003000  0.3675000      2.006000  
1 1 1 5  5  10 o 74.10000 0.9706000 -0.7430000     1.941000  
1 1 1 5  5  12 o 30.20000 0.6509000 -1.491000      1.302000  
1 1 1 5  5  14 f 48.46000 0.9376000 0.8120000      1.875000  
1 1 1 5  5  16 o 46.90000 0.9339000 2.060000       1.868000  
1 1 1 5  5  18 o 121.8000 2.043000  7.113000       4.087000  
1 1 1 5  5  20 o 15.63000 2.004000  -3.778000      4.008000  
1 1 1 5  5  22 o 82.03000 1.802000  0.4063000      3.603000  
1 1 1 5  5  24 o 33.97000 0.9008000 2.020000       1.802000  
1 1 1 5  5  26 o 25.08000 1.977000  -0.8138000     3.954000  
1 1 1 5  5  28 f 29.68000 0.8033000 -5.503000      1.607000  
1 1 1 5  5  30 o 34.13000 0.8227000 -2.619000      1.645000  
1 1 1 5  5  32 o 19.19000 1.002000  0.1830000      2.004000  
1 1 1 5  5  34 f 8.748000 1.777000  -0.8950000     3.553000  
1 1 1 5  5  36 o 24.85000 0.9460000 -1.992000      1.892000  
1 1 1 5  5  38 o 20.84000 1.059000  -1.550000      2.118000  
1 1 1 5  5  40 o 8.213000 1.909000  1.572000       3.819000  
1 1 1 5  5  42 f 21.47000 1.366000  4.367000       2.732000  
1 1 1 5  5  44 o 33.10000 1.312000  0.8494000      2.624000  
1 1 1 5  5  46 o 14.11000 2.528000  1.194000       5.056000  
1 1 1 5  5  48 o 8.108000 2.127000  1.269000       4.253000  
1 1 1 5  5  50 o 21.65000 2.621000  7.426000       5.241000  
1 1 1 5  6  1  o 125.7000 1.606000  3.611000       3.212000  
1 1 1 5  6  3  o 92.07000 1.187000  1.349000       2.375000  
1 1 1 5  6  5  o 140.1000 1.847000  -1.753000      3.693000  
1 1 1 5  6  7  o 49.08000 0.6851000 -0.1873000     1.370000  
1 1 1 5  6  9  f 58.31000 0.7890000 -0.3750000     1.578000  
1 1 1 5  6  11 o 57.13000 0.8991000 -0.8139000     1.798000  
1 1 1 5  6  13 o 38.90000 0.6590000 0.3351000      1.318000  
1 1 1 5  6  15 o 40.13000 0.8381000 -0.3866000     1.676000  
1 1 1 5  6  17 o 94.11000 1.429000  1.748000       2.858000  
1 1 1 5  6  19 o 76.87000 1.803000  -2.002000      3.606000  
1 1 1 5  6  21 o 100.5000 1.710000  3.032000       3.420000  
1 1 1 5  6  23 o 56.78000 1.311000  -4.613000      2.623000  
1 1 1 5  6  25 o 77.93000 2.235000  ?              ?         
1 1 1 5  6  27 o 68.54000 1.455000  -1.863000      2.910000  
1 1 1 5  6  29 o 108.5000 1.439000  0.8508000      2.877000  
1 1 1 5  6  31 o 29.90000 0.7768000 1.178000       1.554000  
1 1 1 5  6  33 o 36.70000 0.7938000 0.3679000      1.588000  
1 1 1 5  6  35 o 30.87000 0.8019000 1.650000       1.604000  
1 1 1 5  6  37 o 43.07000 0.9103000 -0.6682000     1.821000  
1 1 1 5  6  39 o 42.62000 0.9483000 -0.2514000     1.897000  
1 1 1 5  6  41 o 36.79000 1.064000  2.621000       2.129000  
1 1 1 5  6  43 o 11.03000 2.308000  6.549000       4.615000  
1 1 1 5  6  45 o 35.53000 1.025000  0.4090000      2.050000  
1 1 1 5  6  47 o 19.56000 1.177000  3.171000       2.354000  
1 1 1 5  6  49 o 7.253000 1.963000  1.833000       3.927000  
1 1 1 5  6  51 o 22.50000 4.180000  ?              ?         
1 1 1 5  7  0  o 85.09000 1.558000  0.000000       0.000000  
1 1 1 5  7  2  o 153.5000 1.958000  -4.910000      3.915000  
1 1 1 5  7  4  o 56.19000 0.7557000 -2.203000      1.511000  
1 1 1 5  7  6  o 29.69000 0.6059000 -0.9870000E-01 1.212000  
1 1 1 5  7  8  o 10.85000 0.8897000 -1.728000      1.779000  
1 1 1 5  7  10 o 30.65000 0.5823000 0.9622000      1.165000  
1 1 1 5  7  12 o 72.62000 1.037000  0.9820000      2.075000  
1 1 1 5  7  14 o 29.81000 0.5540000 -1.592000      1.108000  
1 1 1 5  7  16 o 36.89000 0.8219000 -1.677000      1.644000  
1 1 1 5  7  18 o 30.72000 1.231000  -0.6254000E-01 2.463000  
1 1 1 5  7  20 o 59.90000 1.240000  -1.857000      2.480000  
1 1 1 5  7  22 o 43.02000 1.179000  0.7214000      2.359000  
1 1 1 5  7  24 o 52.50000 2.482000  2.419000       4.964000  
1 1 1 5  7  26 o 31.47000 1.950000  -3.769000      3.900000  
1 1 1 5  7  28 o 46.06000 0.9895000 -0.4280000     1.979000  
1 1 1 5  7  30 o 57.29000 1.114000  1.337000       2.228000  
1 1 1 5  7  32 o 31.70000 1.058000  -2.336000      2.116000  
1 1 1 5  7  34 o 16.84000 1.497000  -1.483000      2.995000  
1 1 1 5  7  36 o 25.94000 0.7799000 1.192000       1.560000  
1 1 1 5  7  38 o 23.76000 0.8543000 0.9690000      1.709000  
1 1 1 5  7  40 o 41.73000 1.008000  -0.7082000     2.016000  
1 1 1 5  7  42 o 6.173000 1.851000  -0.2738000     3.702000  
1 1 1 5  7  44 o 31.81000 1.093000  -0.1874000     2.186000  
1 1 1 5  7  46 o 6.243000 1.833000  -0.4499000     3.666000  
1 1 1 5  7  48 o 27.94000 0.9941000 -0.6131000     1.988000  
1 1 1 5  7  50 o 36.81000 1.078000  -5.964000      2.156000  
1 1 1 5  8  1  o 150.7000 1.925000  -0.1243000     3.849000  
1 1 1 5  8  3  f 37.46000 0.5847000 0.5401000E-01  1.169000  
1 1 1 5  8  5  o 58.01000 0.7925000 1.234000       1.585000  
1 1 1 5  8  7  o 44.13000 0.8121000 -0.6400000     1.624000  
1 1 1 5  8  9  o 53.18000 0.7849000 -2.953000      1.570000  
1 1 1 5  8  11 o 39.90000 0.7117000 3.010000       1.423000  
1 1 1 5  8  13 o 49.56000 0.8491000 -0.1513000     1.698000  
1 1 1 5  8  15 o 38.00000 0.9403000 1.592000       1.881000  
1 1 1 5  8  17 o 108.2000 1.824000  1.767000       3.649000  
1 1 1 5  8  19 o 87.17000 1.656000  6.395000       3.311000  
1 1 1 5  8  21 o 65.00000 1.276000  2.533000       2.552000  
1 1 1 5  8  23 o 29.14000 1.094000  -0.6184000     2.188000  
1 1 1 5  8  25 o 104.7000 2.513000  0.5375000      5.025000  
1 1 1 5  8  27 o 26.60000 1.855000  2.048000       3.709000  
1 1 1 5  8  29 o 115.6000 1.783000  -1.756000      3.566000  
1 1 1 5  8  31 o 79.04000 1.482000  -0.4146000     2.965000  
1 1 1 5  8  33 o 21.77000 1.238000  2.111000       2.476000  
1 1 1 5  8  35 o 13.78000 1.697000  -2.654000      3.395000  
1 1 1 5  8  37 o 50.12000 1.171000  -2.829000      2.343000  
1 1 1 5  8  39 o 29.79000 1.970000  2.631000       3.940000  
1 1 1 5  8  41 o 31.45000 2.464000  0.3797000      4.929000  
1 1 1 5  8  43 o 45.13000 2.122000  -3.279000      4.244000  
1 1 1 5  8  45 o 21.66000 1.986000  0.6654000      3.972000  
1 1 1 5  8  47 o 9.282000 2.585000  -3.876000      5.169000  
1 1 1 5  8  49 o 26.20000 3.092000  7.520000       6.184000  
1 1 1 5  9  0  o 112.6000 2.051000  0.000000       0.000000  
1 1 1 5  9  2  o 100.8000 1.304000  2.760000       2.609000  
1 1 1 5  9  4  o 95.68000 1.241000  1.961000       2.483000  
1 1 1 5  9  6  o 60.19000 0.8901000 0.5459000E-02  1.780000  
1 1 1 5  9  8  o 77.32000 1.105000  -0.7098000E-01 2.209000  
1 1 1 5  9  10 o 56.42000 1.008000  5.114000       2.015000  
1 1 1 5  9  12 o 58.70000 0.9836000 -3.147000      1.967000  
1 1 1 5  9  14 o 37.85000 0.7130000 -0.1776000     1.426000  
1 1 1 5  9  16 o 38.71000 0.6661000 0.5205000      1.332000  
1 1 1 5  9  18 o 46.19000 1.224000  3.392000       2.448000  
1 1 1 5  9  20 o 24.80000 1.329000  -2.695000      2.658000  
1 1 1 5  9  22 o 41.71000 2.559000  7.960000       5.118000  
1 1 1 5  9  24 o 188.9000 3.476000  13.65000       6.953000  
1 1 1 5  9  26 f 59.17000 1.676000  3.039000       3.351000  
1 1 1 5  9  28 f 34.49000 1.010000  2.643000       2.020000  
1 1 1 5  9  30 o 40.43000 1.084000  -0.2979000     2.169000  
1 1 1 5  9  32 o 52.65000 1.197000  2.662000       2.394000  
1 1 1 5  9  34 o 33.31000 1.039000  -1.673000      2.077000  
1 1 1 5  9  36 o 34.80000 1.076000  4.497000       2.151000  
1 1 1 5  9  38 o 52.26000 1.401000  -1.887000      2.802000  
1 1 1 5  9  40 o 12.90000 2.289000  3.387000       4.578000  
1 1 1 5  9  42 o 64.61000 2.698000  8.999000       5.396000  
1 1 1 5  9  44 o 31.96000 1.866000  -3.501000      3.732000  
1 1 1 5  9  46 o 22.59000 1.887000  -1.623000      3.774000  
1 1 1 5  9  48 o 29.48000 1.650000  -0.3656000     3.300000  
1 1 1 5  9  50 o 27.11000 3.168000  -3.377000      6.336000  
1 1 1 5  10 1  o 24.95000 0.6604000 -0.2898000     1.321000  
1 1 1 5  10 3  o 47.79000 0.7609000 2.231000       1.522000  
1 1 1 5  10 5  o 88.02000 1.328000  -2.486000      2.656000  
1 1 1 5  10 7  o 45.67000 0.8453000 -0.4102000     1.691000  
1 1 1 5  10 9  o 77.31000 1.186000  2.378000       2.371000  
1 1 1 5  10 11 o 88.53000 1.378000  1.236000       2.757000  
1 1 1 5  10 13 o 42.16000 0.7767000 -1.181000      1.553000  
1 1 1 5  10 15 o 57.50000 0.8550000 -1.723000      1.710000  
1 1 1 5  10 17 o 99.86000 1.427000  -1.446000      2.854000  
1 1 1 5  10 19 f 68.41000 1.297000  -1.206000      2.594000  
1 1 1 5  10 21 o 35.75000 1.732000  5.073000       3.464000  
1 1 1 5  10 23 o 12.03000 3.754000  -7.612000      7.509000  
1 1 1 5  10 25 o 62.09000 1.704000  6.030000       3.408000  
1 1 1 5  10 27 o 39.76000 1.673000  2.978000       3.345000  
1 1 1 5  10 29 o 58.01000 1.192000  -3.454000      2.385000  
1 1 1 5  10 31 o 60.22000 1.283000  -1.522000      2.566000  
1 1 1 5  10 33 o 12.19000 1.814000  2.409000       3.627000  
1 1 1 5  10 35 o 40.71000 1.339000  2.082000       2.678000  
1 1 1 5  10 37 o 26.62000 1.208000  2.728000       2.415000  
1 1 1 5  10 39 o 27.86000 1.212000  0.3745000      2.425000  
1 1 1 5  10 41 o 39.70000 1.557000  2.537000       3.115000  
1 1 1 5  10 43 o 63.62000 2.162000  -5.183000      4.324000  
1 1 1 5  10 45 o 23.97000 1.947000  9.032000       3.893000  
1 1 1 5  10 47 o 27.95000 1.623000  -0.9947000     3.245000  
1 1 1 5  10 49 o 29.98000 1.823000  3.084000       3.646000  
1 1 1 5  11 0  o 55.66000 1.313000  0.000000       0.000000  
1 1 1 5  11 2  o 30.29000 0.8987000 -1.748000      1.797000  
1 1 1 5  11 4  o 37.46000 0.8593000 -0.4387000     1.719000  
1 1 1 5  11 6  o 76.26000 1.317000  -2.334000      2.635000  
1 1 1 5  11 8  o 20.11000 0.7297000 -2.305000      1.459000  
1 1 1 5  11 10 o 41.54000 0.7802000 -2.121000      1.560000  
1 1 1 5  11 12 o 61.69000 0.9396000 -1.692000      1.879000  
1 1 1 5  11 14 f 92.10000 1.317000  -1.398000      2.634000  
1 1 1 5  11 16 o 115.1000 1.737000  2.174000       3.474000  
1 1 1 5  11 18 o 51.74000 1.001000  1.307000       2.001000  
1 1 1 5  11 20 o 85.50000 2.025000  -4.253000      4.050000  
1 1 1 5  11 22 o 122.5000 2.754000  -3.693000      5.508000  
1 1 1 5  11 24 o 98.22000 1.963000  8.346000       3.926000  
1 1 1 5  11 26 o 39.04000 2.078000  3.490000       4.156000  
1 1 1 5  11 28 o 50.28000 1.154000  1.744000       2.309000  
1 1 1 5  11 30 o 69.28000 1.390000  -0.2724000     2.780000  
1 1 1 5  11 32 o 16.82000 1.579000  6.226000       3.158000  
1 1 1 5  11 34 o 27.22000 1.176000  0.9957000      2.352000  
1 1 1 5  11 36 o 9.215000 2.151000  -3.670000      4.302000  
1 1 1 5  11 38 o 49.25000 1.185000  -1.312000      2.369000  
1 1 1 5  11 40 o 7.351000 2.279000  -4.635000      4.557000  
1 1 1 5  11 42 o 31.81000 2.421000  8.792000       4.842000  
1 1 1 5  11 44 o 62.65000 1.606000  -0.1876000E-01 3.211000  
1 1 1 5  11 46 o 37.49000 1.467000  -0.8892000     2.934000  
1 1 1 5  11 48 o 7.035000 2.185000  -0.4487000     4.371000  
1 1 1 5  11 50 o 10.06000 4.110000  ?              ?         
1 1 1 5  12 1  o 144.0000 2.285000  6.179000       4.571000  
1 1 1 5  12 3  o 46.97000 1.017000  -4.181000      2.034000  
1 1 1 5  12 5  o 45.35000 0.9684000 -3.338000      1.937000  
1 1 1 5  12 7  o 24.08000 0.9120000 0.2098000      1.824000  
1 1 1 5  12 9  o 83.08000 1.206000  -2.152000      2.412000  
1 1 1 5  12 11 o 113.4000 1.943000  6.703000       3.886000  
1 1 1 5  12 13 o 45.78000 0.8409000 -0.5137000     1.682000  
1 1 1 5  12 15 o 71.03000 1.094000  -1.386000      2.187000  
1 1 1 5  12 17 o 76.51000 1.161000  5.206000       2.322000  
1 1 1 5  12 19 o 133.6000 1.914000  3.510000       3.828000  
1 1 1 5  12 21 o 38.26000 2.624000  -6.783000      5.247000  
1 1 1 5  12 23 o 12.29000 5.549000  ?              ?         
1 1 1 5  12 25 o 111.7000 2.584000  3.467000       5.168000  
1 1 1 5  12 27 o 89.03000 2.152000  -1.044000      4.305000  
1 1 1 5  12 29 o 68.22000 1.352000  -0.3415000     2.704000  
1 1 1 5  12 31 o 52.04000 1.171000  2.817000       2.342000  
1 1 1 5  12 33 o 35.58000 1.148000  0.4609000      2.296000  
1 1 1 5  12 35 o 41.24000 1.131000  1.394000       2.261000  
1 1 1 5  12 37 o 33.25000 1.146000  4.114000       2.292000  
1 1 1 5  12 39 o 39.90000 1.189000  -0.8111000     2.377000  
1 1 1 5  12 41 o 21.04000 2.115000  -8.511000      4.230000  
1 1 1 5  12 43 o 33.32000 1.456000  -1.733000      2.912000  
1 1 1 5  12 45 o 29.45000 1.613000  -1.074000      3.226000  
1 1 1 5  12 47 o 23.18000 3.704000  -5.355000      7.407000  
1 1 1 5  12 49 o 36.61000 1.210000  -2.455000      2.421000  
1 1 1 5  13 0  o 7.340000 2.971000  0.000000       0.000000  
1 1 1 5  13 2  o 12.51000 1.897000  -2.399000      3.793000  
1 1 1 5  13 4  o 64.54000 1.002000  0.3342000      2.003000  
1 1 1 5  13 6  o 63.66000 0.9917000 -2.540000      1.983000  
1 1 1 5  13 8  o 30.49000 0.8746000 1.851000       1.749000  
1 1 1 5  13 10 o 103.4000 1.672000  -0.4494000     3.345000  
1 1 1 5  13 12 o 33.95000 0.7001000 0.4329000      1.400000  
1 1 1 5  13 14 o 47.43000 0.9728000 -3.902000      1.946000  
1 1 1 5  13 16 o 96.21000 1.408000  -7.936000      2.815000  
1 1 1 5  13 18 f 71.09000 1.792000  -3.346000      3.584000  
1 1 1 5  13 20 o 72.83000 1.506000  3.073000       3.012000  
1 1 1 5  13 22 o 91.03000 2.531000  ?              ?         
1 1 1 5  13 24 o 18.18000 3.863000  -2.359000      7.726000  
1 1 1 5  13 26 o 66.52000 1.832000  4.453000       3.663000  
1 1 1 5  13 28 o 28.38000 2.664000  -1.117000      5.328000  
1 1 1 5  13 30 o 24.28000 3.134000  5.040000       6.267000  
1 1 1 5  13 32 o 47.78000 1.175000  2.910000       2.349000  
1 1 1 5  13 34 o 35.26000 1.133000  -0.2044000     2.267000  
1 1 1 5  13 36 o 15.61000 1.790000  -0.1038000     3.580000  
1 1 1 5  13 38 o 22.06000 1.311000  -0.2178000     2.623000  
1 1 1 5  13 40 o 27.46000 1.562000  -3.317000      3.125000  
1 1 1 5  13 42 o 27.78000 1.859000  2.612000       3.718000  
1 1 1 5  13 44 o 19.70000 1.859000  -1.675000      3.718000  
1 1 1 5  13 46 o 30.71000 1.743000  4.626000       3.487000  
1 1 1 5  13 48 o 32.65000 1.999000  0.7272000      3.999000  
1 1 1 5  14 1  o 73.48000 1.106000  0.4327000      2.213000  
1 1 1 5  14 3  o 94.79000 1.357000  -0.1006000     2.713000  
1 1 1 5  14 5  o 126.8000 1.778000  -1.855000      3.556000  
1 1 1 5  14 7  o 38.54000 0.8251000 -1.060000      1.650000  
1 1 1 5  14 9  o 24.88000 0.9502000 -2.008000      1.900000  
1 1 1 5  14 11 o 10.14000 1.913000  -2.814000      3.826000  
1 1 1 5  14 13 o 101.2000 1.551000  -0.7638000     3.101000  
1 1 1 5  14 15 o 146.3000 2.198000  -6.267000      4.396000  
1 1 1 5  14 17 o 56.68000 1.207000  -0.5115000     2.413000  
1 1 1 5  14 19 f 83.04000 1.773000  -0.2166000     3.546000  
1 1 1 5  14 21 o 93.22000 2.307000  13.70000       4.615000  
1 1 1 5  14 23 o 99.39000 2.482000  11.07000       4.963000  
1 1 1 5  14 25 o 109.9000 2.470000  3.832000       4.940000  
1 1 1 5  14 27 o 66.39000 1.949000  10.18000       3.898000  
1 1 1 5  14 29 o 63.93000 1.862000  -3.574000      3.724000  
1 1 1 5  14 31 o 31.17000 2.182000  3.068000       4.364000  
1 1 1 5  14 33 o 17.57000 3.659000  5.937000       7.318000  
1 1 1 5  14 35 o 18.15000 3.465000  -3.142000      6.929000  
1 1 1 5  14 37 o 25.43000 4.220000  -8.292000      8.440000  
1 1 1 5  14 39 o 41.22000 2.451000  -7.131000      4.903000  
1 1 1 5  14 41 o 18.54000 4.168000  -4.763000      8.335000  
1 1 1 5  14 43 o 31.41000 2.948000  -0.6832000     5.897000  
1 1 1 5  14 45 o 21.76000 3.084000  -7.697000      6.169000  
1 1 1 5  14 47 o 10.62000 3.332000  4.980000       6.664000  
1 1 1 5  14 49 o 8.419000 3.788000  ?              ?         
1 1 1 5  15 0  o 71.32000 1.649000  0.000000       0.000000  
1 1 1 5  15 2  o 100.5000 1.437000  0.1184000      2.874000  
1 1 1 5  15 4  o 61.38000 0.9717000 -2.775000      1.943000  
1 1 1 5  15 6  o 68.73000 0.9727000 1.223000       1.945000  
1 1 1 5  15 8  o 95.56000 1.280000  -4.304000      2.560000  
1 1 1 5  15 10 o 41.91000 1.071000  -2.077000      2.142000  
1 1 1 5  15 12 o 27.28000 0.9210000 -2.806000      1.842000  
1 1 1 5  15 14 f 74.68000 1.282000  -2.717000      2.565000  
1 1 1 5  15 16 o 62.01000 1.155000  -2.898000      2.310000  
1 1 1 5  15 18 o 65.02000 2.091000  2.094000       4.183000  
1 1 1 5  15 20 o 84.63000 2.063000  0.3080000      4.126000  
1 1 1 5  15 22 o 97.37000 1.602000  -2.988000      3.204000  
1 1 1 5  15 24 o 51.71000 0.9056000 -4.395000      1.811000  
1 1 1 5  15 26 o 53.34000 1.839000  1.882000       3.678000  
1 1 1 5  15 28 o 35.99000 2.234000  -4.861000      4.467000  
1 1 1 5  15 30 o 46.76000 1.891000  -1.552000      3.781000  
1 1 1 5  15 32 o 75.91000 1.736000  -0.7812000     3.471000  
1 1 1 5  15 34 o 18.21000 4.054000  3.515000       8.108000  
1 1 1 5  15 36 o 14.19000 3.278000  1.416000       6.556000  
1 1 1 5  15 38 o 23.69000 3.900000  -0.5304000     7.800000  
1 1 1 5  15 40 o 64.15000 2.880000  -4.915000      5.761000  
1 1 1 5  15 42 o 53.95000 2.306000  0.8695000      4.611000  
1 1 1 5  15 44 o 42.45000 1.874000  13.63000       3.748000  
1 1 1 5  15 46 o 31.03000 3.157000  -7.107000      6.313000  
1 1 1 5  15 48 o 35.64000 2.423000  -8.347000      4.845000  
1 1 1 5  16 1  o 50.02000 0.8520000 0.5989000      1.704000  
1 1 1 5  16 3  o 82.13000 1.217000  0.4295000      2.434000  
1 1 1 5  16 5  o 42.22000 0.8140000 -0.6908000     1.628000  
1 1 1 5  16 7  o 89.51000 1.311000  -0.9266000     2.621000  
1 1 1 5  16 9  o 87.20000 1.382000  0.1587000      2.764000  
1 1 1 5  16 11 f 50.22000 0.9022000 -1.753000      1.804000  
1 1 1 5  16 13 o 26.86000 0.9763000 -1.518000      1.953000  
1 1 1 5  16 15 o 43.49000 0.9413000 1.631000       1.883000  
1 1 1 5  16 17 o 80.64000 1.437000  -1.634000      2.873000  
1 1 1 5  16 19 o 110.6000 2.528000  5.177000       5.055000  
1 1 1 5  16 21 o 90.97000 1.491000  -2.009000      2.982000  
1 1 1 5  16 23 o 81.44000 1.543000  ?              ?         
1 1 1 5  16 25 o 84.68000 1.363000  4.384000       2.725000  
1 1 1 5  16 27 o 68.11000 1.709000  3.043000       3.418000  
1 1 1 5  16 29 o 13.66000 3.281000  6.054000       6.561000  
1 1 1 5  16 31 f 36.08000 3.810000  -13.74000      7.621000  
1 1 1 5  16 33 o 48.48000 3.752000  -8.099000      7.504000  
1 1 1 5  16 35 o 21.60000 3.632000  3.930000       7.264000  
1 1 1 5  16 37 o 54.21000 2.244000  -3.568000      4.487000  
1 1 1 5  16 39 o 12.14000 4.163000  5.758000       8.326000  
1 1 1 5  16 41 o 11.77000 3.129000  1.815000       6.258000  
1 1 1 5  16 43 o 36.91000 2.395000  -8.022000      4.790000  
1 1 1 5  16 45 o 23.22000 3.171000  1.108000       6.341000  
1 1 1 5  16 47 o 14.22000 3.774000  6.523000       7.548000  
1 1 1 5  17 0  o 26.07000 1.449000  0.000000       0.000000  
1 1 1 5  17 2  o 35.60000 0.8727000 -1.525000      1.745000  
1 1 1 5  17 4  f 14.04000 1.956000  1.937000       3.912000  
1 1 1 5  17 6  o 53.36000 1.209000  1.972000       2.419000  
1 1 1 5  17 8  o 85.61000 1.275000  -2.038000      2.549000  
1 1 1 5  17 10 o 26.32000 1.174000  -1.346000      2.349000  
1 1 1 5  17 12 o 59.38000 1.065000  1.098000       2.131000  
1 1 1 5  17 14 o 80.92000 1.197000  2.789000       2.395000  
1 1 1 5  17 16 o 122.1000 1.679000  0.8567000      3.358000  
1 1 1 5  17 18 o 118.8000 2.725000  -0.2420000     5.450000  
1 1 1 5  17 20 f 63.25000 1.391000  0.5137000      2.783000  
1 1 1 5  17 22 o 62.08000 1.381000  -2.372000      2.761000  
1 1 1 5  17 24 o 24.01000 1.493000  3.030000       2.986000  
1 1 1 5  17 26 o 7.065000 1.570000  -0.6795000E-01 3.140000  
1 1 1 5  17 28 o 33.68000 2.289000  1.726000       4.579000  
1 1 1 5  17 30 o 37.32000 4.377000  -14.58000      8.755000  
1 1 1 5  17 32 o 33.04000 2.354000  -3.415000      4.708000  
1 1 1 5  17 34 o 11.85000 3.625000  8.733000       7.249000  
1 1 1 5  17 36 o 20.66000 3.877000  6.578000       7.754000  
1 1 1 5  17 38 o 40.43000 4.123000  -17.90000      8.245000  
1 1 1 5  17 40 o 9.579000 4.705000  ?              ?         
1 1 1 5  17 42 o 23.00000 3.410000  5.544000       6.819000  
1 1 1 5  17 44 o 46.94000 2.111000  -3.964000      4.222000  
1 1 1 5  17 46 o 9.807000 3.172000  6.656000       6.343000  
1 1 1 5  17 48 o 13.12000 4.692000  ?              ?         
1 1 1 5  18 1  o 114.7000 1.514000  3.626000       3.027000  
1 1 1 5  18 3  o 128.3000 1.678000  0.3790000      3.357000  
1 1 1 5  18 5  o 78.39000 1.118000  -0.1917000     2.236000  
1 1 1 5  18 7  o 59.67000 1.052000  0.1760000      2.104000  
1 1 1 5  18 9  o 122.9000 1.746000  -1.521000      3.492000  
1 1 1 5  18 11 o 142.2000 2.009000  1.389000       4.018000  
1 1 1 5  18 13 o 118.2000 1.729000  2.548000       3.458000  
1 1 1 5  18 15 o 130.2000 1.763000  0.8813000      3.525000  
1 1 1 5  18 17 o 105.9000 2.252000  -0.4158000     4.504000  
1 1 1 5  18 19 o 58.59000 1.505000  -4.595000      3.010000  
1 1 1 5  18 21 o 80.76000 2.302000  -7.127000      4.604000  
1 1 1 5  18 23 o 85.39000 1.568000  1.870000       3.137000  
1 1 1 5  18 25 o 58.73000 1.188000  3.329000       2.376000  
1 1 1 5  18 27 f 83.56000 1.350000  0.2815000      2.699000  
1 1 1 5  18 29 o 17.39000 2.937000  -8.205000      5.874000  
1 1 1 5  18 31 f 48.56000 2.018000  -2.332000      4.035000  
1 1 1 5  18 33 o 23.49000 3.329000  0.3395000E-03  6.658000  
1 1 1 5  18 35 o 21.48000 3.675000  -3.976000      7.350000  
1 1 1 5  18 37 o 20.71000 3.445000  -3.954000      6.890000  
1 1 1 5  18 39 f 9.378000 3.251000  3.039000       6.501000  
1 1 1 5  18 41 o 28.37000 3.798000  -2.839000      7.596000  
1 1 1 5  18 43 o 33.02000 2.747000  -0.9884000     5.494000  
1 1 1 5  18 45 o 46.77000 2.307000  3.509000       4.615000  
1 1 1 5  18 47 o 37.66000 1.808000  -3.122000      3.615000  
1 1 1 5  19 0  o 89.14000 1.737000  0.000000       0.000000  
1 1 1 5  19 2  o 77.39000 1.121000  1.020000       2.243000  
1 1 1 5  19 4  o 28.18000 1.244000  1.066000       2.488000  
1 1 1 5  19 6  o 29.09000 1.190000  -0.5714000     2.380000  
1 1 1 5  19 8  f 28.32000 1.538000  -1.649000      3.077000  
1 1 1 5  19 10 o 11.46000 2.615000  -2.396000      5.230000  
1 1 1 5  19 12 o 8.365000 2.684000  -3.164000      5.368000  
1 1 1 5  19 14 o 156.1000 2.259000  -2.034000      4.518000  
1 1 1 5  19 16 o 153.6000 2.378000  -0.3285000     4.756000  
1 1 1 5  19 18 o 20.57000 1.999000  -0.4643000     3.998000  
1 1 1 5  19 20 o 55.23000 1.450000  -0.9287000     2.900000  
1 1 1 5  19 22 o 36.88000 1.498000  -8.972000      2.996000  
1 1 1 5  19 24 o 56.31000 1.463000  4.436000       2.925000  
1 1 1 5  19 26 o 75.72000 1.543000  5.302000       3.086000  
1 1 1 5  19 28 o 61.24000 1.038000  -0.1264000     2.077000  
1 1 1 5  19 30 o 23.52000 1.528000  6.282000       3.056000  
1 1 1 5  19 32 o 41.74000 2.132000  -8.536000      4.263000  
1 1 1 5  19 34 o 60.62000 1.945000  0.3902000E-02  3.890000  
1 1 1 5  19 36 o 22.00000 4.000000  -1.501000      7.999000  
1 1 1 5  19 38 o 59.34000 2.961000  8.978000       5.921000  
1 1 1 5  19 40 o 29.93000 3.771000  3.943000       7.543000  
1 1 1 5  19 42 o 16.69000 3.085000  -3.609000      6.171000  
1 1 1 5  19 44 o 16.78000 4.444000  6.017000       8.887000  
1 1 1 5  19 46 o 7.405000 2.487000  -0.5050000     4.974000  
1 1 1 5  20 1  o 51.68000 1.003000  -2.209000      2.006000  
1 1 1 5  20 3  o 153.0000 1.988000  1.570000       3.976000  
1 1 1 5  20 5  o 112.4000 1.509000  2.643000       3.019000  
1 1 1 5  20 7  o 57.97000 1.249000  -0.4206000     2.498000  
1 1 1 5  20 9  o 14.55000 2.561000  10.00000       5.121000  
1 1 1 5  20 11 o 37.39000 3.195000  ?              ?         
1 1 1 5  20 13 o 63.84000 1.606000  -0.8294000     3.212000  
1 1 1 5  20 15 o 115.0000 1.929000  4.724000       3.858000  
1 1 1 5  20 17 o 82.72000 1.634000  2.024000       3.268000  
1 1 1 5  20 19 o 66.68000 1.411000  -2.552000      2.822000  
1 1 1 5  20 21 o 67.90000 1.825000  6.555000       3.651000  
1 1 1 5  20 23 o 41.34000 1.534000  4.086000       3.068000  
1 1 1 5  20 25 o 60.62000 1.454000  -4.973000      2.908000  
1 1 1 5  20 27 o 11.78000 2.294000  -1.103000      4.588000  
1 1 1 5  20 29 o 38.18000 0.8885000 -0.9603000     1.777000  
1 1 1 5  20 31 o 12.23000 1.193000  -5.026000      2.385000  
1 1 1 5  20 33 o 17.87000 3.322000  9.418000       6.645000  
1 1 1 5  20 35 o 18.31000 4.012000  4.113000       8.024000  
1 1 1 5  20 37 o 21.53000 4.067000  -1.530000      8.135000  
1 1 1 5  20 39 o 13.71000 3.110000  -2.011000      6.220000  
1 1 1 5  20 41 o 33.57000 2.916000  -0.8019000     5.831000  
1 1 1 5  20 43 o 34.39000 2.479000  10.19000       4.958000  
1 1 1 5  20 45 o 14.01000 3.601000  10.70000       7.202000  
1 1 1 5  21 0  o 150.1000 2.789000  0.000000       0.000000  
1 1 1 5  21 2  o 103.8000 1.442000  -2.546000      2.883000  
1 1 1 5  21 4  o 46.39000 1.245000  1.483000       2.490000  
1 1 1 5  21 6  o 71.73000 1.310000  2.530000       2.619000  
1 1 1 5  21 8  o 36.70000 1.761000  -1.331000      3.521000  
1 1 1 5  21 10 o 36.87000 1.806000  -3.087000      3.612000  
1 1 1 5  21 12 o 94.03000 2.823000  6.224000       5.645000  
1 1 1 5  21 14 o 51.93000 1.670000  -1.791000      3.340000  
1 1 1 5  21 16 o 94.11000 1.946000  2.803000       3.891000  
1 1 1 5  21 18 o 39.60000 1.296000  -3.638000      2.591000  
1 1 1 5  21 20 o 82.28000 1.359000  0.9541000      2.717000  
1 1 1 5  21 22 f 88.02000 1.454000  3.189000       2.907000  
1 1 1 5  21 24 o 25.87000 2.256000  -5.244000      4.513000  
1 1 1 5  21 26 o 16.32000 2.523000  -0.6896000     5.045000  
1 1 1 5  21 28 o 28.40000 1.454000  2.769000       2.908000  
1 1 1 5  21 30 o 46.17000 1.028000  -2.894000      2.057000  
1 1 1 5  21 32 o 13.50000 1.119000  -2.707000      2.238000  
1 1 1 5  21 34 o 22.09000 3.344000  6.539000       6.687000  
1 1 1 5  21 38 o 28.37000 2.830000  -8.507000      5.660000  
1 1 1 5  21 40 o 34.05000 4.440000  4.869000       8.880000  
1 1 1 5  21 42 o 18.76000 3.945000  5.706000       7.890000  
1 1 1 5  21 44 o 24.99000 2.782000  3.896000       5.564000  
1 1 1 5  22 1  o 6.142000 3.060000  ?              ?         
1 1 1 5  22 3  o 40.14000 1.618000  -0.3981000     3.235000  
1 1 1 5  22 5  o 72.44000 1.709000  0.1381000      3.419000  
1 1 1 5  22 7  o 58.20000 1.482000  -0.8524000     2.963000  
1 1 1 5  22 9  o 10.11000 4.925000  ?              ?         
1 1 1 5  22 11 o 14.71000 4.545000  -0.6912000     9.091000  
1 1 1 5  22 13 o 48.58000 1.598000  -0.7519000     3.195000  
1 1 1 5  22 15 o 113.8000 1.825000  -0.1473000     3.651000  
1 1 1 5  22 17 o 100.7000 1.756000  6.073000       3.511000  
1 1 1 5  22 19 o 33.83000 1.389000  0.2343000      2.778000  
1 1 1 5  22 21 o 83.23000 1.446000  -2.690000      2.892000  
1 1 1 5  22 23 f 59.15000 1.354000  7.912000       2.708000  
1 1 1 5  22 25 o 22.30000 2.379000  2.805000       4.758000  
1 1 1 5  22 27 o 17.66000 2.268000  13.07000       4.535000  
1 1 1 5  22 29 o 32.79000 1.354000  2.043000       2.708000  
1 1 1 5  22 31 f 13.73000 1.314000  2.187000       2.629000  
1 1 1 5  22 33 o 25.75000 0.8991000 -3.994000      1.798000  
1 1 1 5  22 35 o 27.30000 3.310000  -7.400000      6.620000  
1 1 1 5  22 37 o 9.505000 4.655000  ?              ?         
1 1 1 5  22 39 o 18.73000 4.047000  6.416000       8.095000  
1 1 1 5  22 41 o 20.56000 3.235000  -11.33000      6.470000  
1 1 1 5  22 43 o 8.878000 2.862000  3.390000       5.724000  
1 1 1 5  22 45 f 23.11000 2.783000  5.189000       5.567000  
1 1 1 5  23 0  o 72.48000 2.144000  0.000000       0.000000  
1 1 1 5  23 2  o 96.92000 1.548000  0.4340000      3.096000  
1 1 1 5  23 4  o 19.62000 3.840000  7.607000       7.680000  
1 1 1 5  23 6  o 90.18000 2.059000  -5.184000      4.117000  
1 1 1 5  23 8  o 156.8000 2.493000  6.027000       4.985000  
1 1 1 5  23 10 o 88.74000 2.319000  4.011000       4.637000  
1 1 1 5  23 12 o 94.34000 1.889000  2.911000       3.777000  
1 1 1 5  23 14 o 54.99000 1.277000  -2.576000      2.554000  
1 1 1 5  23 16 o 22.61000 2.785000  -1.026000      5.571000  
1 1 1 5  23 18 o 51.57000 1.240000  -0.2163000     2.481000  
1 1 1 5  23 20 f 73.02000 1.326000  -3.482000      2.651000  
1 1 1 5  23 22 o 21.59000 2.198000  4.137000       4.396000  
1 1 1 5  23 24 o 33.37000 1.836000  2.658000       3.673000  
1 1 1 5  23 26 o 24.51000 2.872000  -4.086000      5.744000  
1 1 1 5  23 28 o 23.87000 2.274000  -4.771000      4.548000  
1 1 1 5  23 30 o 26.94000 1.734000  0.3897000      3.468000  
1 1 1 5  23 32 o 35.45000 0.9255000 -1.331000      1.851000  
1 1 1 5  23 34 o 38.33000 1.053000  -4.653000      2.106000  
1 1 1 5  23 36 o 8.860000 4.409000  ?              ?         
1 1 1 5  23 38 o 33.82000 3.706000  2.388000       7.413000  
1 1 1 5  23 40 o 19.16000 4.533000  8.415000       9.067000  
1 1 1 5  23 42 o 18.64000 5.292000  0.9776000      10.58000  
1 1 1 5  23 44 o 29.91000 3.745000  1.088000       7.490000  
1 1 1 5  24 1  o 98.64000 2.026000  -1.973000      4.052000  
1 1 1 5  24 3  o 46.94000 2.909000  -4.268000      5.818000  
1 1 1 5  24 5  o 97.49000 2.199000  3.470000       4.399000  
1 1 1 5  24 7  o 15.46000 4.208000  -3.307000      8.416000  
1 1 1 5  24 9  o 103.5000 2.563000  1.235000       5.126000  
1 1 1 5  24 11 o 127.4000 2.035000  3.070000       4.070000  
1 1 1 5  24 13 o 91.59000 1.543000  4.404000       3.085000  
1 1 1 5  24 15 o 23.34000 2.047000  1.413000       4.094000  
1 1 1 5  24 17 o 22.93000 2.031000  1.471000       4.062000  
1 1 1 5  24 19 o 25.93000 1.716000  -0.5322000     3.433000  
1 1 1 5  24 21 o 41.27000 1.327000  -0.7831000     2.654000  
1 1 1 5  24 23 o 15.18000 2.526000  1.754000       5.051000  
1 1 1 5  24 25 o 46.40000 1.497000  8.051000       2.994000  
1 1 1 5  24 27 o 19.59000 2.835000  -8.574000      5.670000  
1 1 1 5  24 29 o 20.93000 2.559000  -5.140000      5.118000  
1 1 1 5  24 31 o 25.14000 2.302000  0.7910000      4.604000  
1 1 1 5  24 33 o 35.53000 1.112000  0.4442000      2.223000  
1 1 1 5  24 35 o 26.48000 1.368000  -3.888000      2.736000  
1 1 1 5  24 37 o 21.12000 4.008000  -2.363000      8.017000  
1 1 1 5  24 39 o 18.50000 3.069000  1.857000       6.138000  
1 1 1 5  24 41 o 18.96000 3.766000  -2.516000      7.531000  
1 1 1 5  24 43 o 8.948000 3.079000  4.621000       6.158000  
1 1 1 5  25 0  o 64.37000 2.884000  0.000000       0.000000  
1 1 1 5  25 2  o 15.68000 4.163000  1.568000       8.326000  
1 1 1 5  25 4  o 49.81000 2.085000  2.845000       4.170000  
1 1 1 5  25 6  o 69.37000 1.939000  -1.716000      3.877000  
1 1 1 5  25 8  o 36.32000 2.287000  4.566000       4.574000  
1 1 1 5  25 10 f 31.52000 1.815000  1.020000       3.630000  
1 1 1 5  25 12 o 60.51000 1.560000  2.020000       3.121000  
1 1 1 5  25 14 o 47.36000 1.341000  1.776000       2.682000  
1 1 1 5  25 16 o 52.14000 1.254000  0.4513000      2.509000  
1 1 1 5  25 18 o 56.29000 1.254000  -3.824000      2.508000  
1 1 1 5  25 20 o 28.22000 1.647000  -3.996000      3.293000  
1 1 1 5  25 22 o 44.03000 1.293000  -0.5957000     2.585000  
1 1 1 5  25 24 o 32.55000 1.376000  3.215000       2.752000  
1 1 1 5  25 26 o 28.09000 2.361000  4.369000       4.723000  
1 1 1 5  25 28 o 44.05000 1.672000  -2.879000      3.343000  
1 1 1 5  25 30 o 14.29000 3.018000  7.109000       6.036000  
1 1 1 5  25 32 f 17.16000 2.845000  -5.910000      5.691000  
1 1 1 5  25 34 o 15.38000 2.007000  0.6918000      4.013000  
1 1 1 5  25 36 o 15.29000 1.441000  -5.750000      2.882000  
1 1 1 5  25 38 o 15.06000 2.969000  -4.301000      5.939000  
1 1 1 5  25 40 o 21.07000 4.942000  7.681000       9.885000  
1 1 1 5  25 42 o 16.62000 3.299000  -0.7817000E-01 6.598000  
1 1 1 5  26 1  o 103.4000 1.973000  -0.4001000     3.945000  
1 1 1 5  26 3  o 52.98000 2.577000  3.213000       5.154000  
1 1 1 5  26 5  o 12.45000 3.758000  -2.423000      7.515000  
1 1 1 5  26 7  o 51.66000 1.883000  -0.1408000     3.765000  
1 1 1 5  26 9  o 102.1000 1.855000  -2.214000      3.709000  
1 1 1 5  26 11 o 44.16000 1.552000  -0.6375000     3.105000  
1 1 1 5  26 13 o 37.14000 1.698000  -0.4645000     3.395000  
1 1 1 5  26 15 o 89.83000 1.387000  -0.2399000     2.773000  
1 1 1 5  26 17 o 100.1000 1.492000  2.220000       2.984000  
1 1 1 5  26 19 o 48.49000 1.350000  2.339000       2.699000  
1 1 1 5  26 21 o 69.40000 1.295000  -0.4533000     2.591000  
1 1 1 5  26 23 o 10.47000 2.841000  -2.234000      5.682000  
1 1 1 5  26 25 o 22.10000 2.074000  1.555000       4.149000  
1 1 1 5  26 27 o 24.93000 4.418000  0.5081000      8.836000  
1 1 1 5  26 29 o 21.53000 3.124000  -3.647000      6.249000  
1 1 1 5  26 31 o 25.16000 3.992000  -7.339000      7.983000  
1 1 1 5  26 33 o 42.06000 1.174000  5.680000       2.347000  
1 1 1 5  26 35 o 16.77000 1.539000  -6.147000      3.077000  
1 1 1 5  26 37 o 21.81000 1.173000  -4.679000      2.347000  
1 1 1 5  26 39 o 15.23000 4.504000  8.702000       9.008000  
1 1 1 5  26 41 o 6.988000 2.373000  2.941000       4.746000  
1 1 1 5  26 43 o 12.60000 3.755000  ?              ?         
1 1 1 5  27 0  o 11.73000 5.286000  0.000000       0.000000  
1 1 1 5  27 2  o 41.10000 2.172000  8.214000       4.344000  
1 1 1 5  27 4  o 11.62000 3.529000  4.264000       7.059000  
1 1 1 5  27 6  o 31.26000 2.838000  8.660000       5.675000  
1 1 1 5  27 8  f 90.11000 1.802000  -1.799000      3.605000  
1 1 1 5  27 10 o 110.0000 1.636000  -3.914000      3.272000  
1 1 1 5  27 12 o 52.57000 1.460000  0.3565000      2.921000  
1 1 1 5  27 14 o 45.69000 1.556000  3.746000       3.111000  
1 1 1 5  27 16 o 29.87000 1.908000  1.266000       3.817000  
1 1 1 5  27 18 o 11.43000 3.042000  -2.188000      6.083000  
1 1 1 5  27 20 o 26.28000 1.932000  -2.147000      3.864000  
1 1 1 5  27 22 o 41.47000 1.496000  -0.5380000     2.993000  
1 1 1 5  27 24 o 57.45000 1.292000  -0.2039000     2.584000  
1 1 1 5  27 26 o 38.32000 1.475000  5.385000       2.950000  
1 1 1 5  27 28 o 60.49000 2.490000  -4.553000      4.981000  
1 1 1 5  27 30 o 9.919000 3.242000  0.9039000E-02  6.484000  
1 1 1 5  27 32 f 45.91000 1.527000  2.321000       3.054000  
1 1 1 5  27 34 o 18.75000 1.502000  -0.9217000     3.004000  
1 1 1 5  27 36 o 19.31000 4.368000  4.868000       8.737000  
1 1 1 5  27 38 o 25.03000 1.097000  -1.960000      2.194000  
1 1 1 5  27 40 o 15.57000 3.389000  3.644000       6.777000  
1 1 1 5  27 42 o 9.973000 3.312000  5.781000       6.624000  
1 1 1 5  28 1  o 51.83000 1.806000  -4.001000      3.612000  
1 1 1 5  28 3  o 50.89000 2.134000  -7.425000      4.268000  
1 1 1 5  28 5  o 13.34000 3.818000  -0.5988000     7.635000  
1 1 1 5  28 7  o 60.09000 1.510000  3.247000       3.021000  
1 1 1 5  28 9  o 50.50000 1.907000  -2.934000      3.815000  
1 1 1 5  28 11 o 19.00000 3.942000  0.7718000      7.883000  
1 1 1 5  28 13 o 47.62000 1.849000  -0.2127000     3.698000  
1 1 1 5  28 15 o 50.42000 1.439000  1.233000       2.879000  
1 1 1 5  28 17 o 70.65000 1.340000  2.727000       2.679000  
1 1 1 5  28 19 o 39.06000 1.524000  1.975000       3.048000  
1 1 1 5  28 21 o 35.94000 1.638000  -0.2928000     3.276000  
1 1 1 5  28 23 o 37.66000 1.519000  0.7236000      3.039000  
1 1 1 5  28 25 o 50.87000 1.339000  -0.8599000     2.677000  
1 1 1 5  28 27 o 19.29000 3.911000  -0.3424000     7.822000  
1 1 1 5  28 29 o 12.12000 3.310000  1.583000       6.619000  
1 1 1 5  28 31 o 47.93000 1.972000  10.68000       3.945000  
1 1 1 5  28 33 o 10.94000 3.326000  3.776000       6.652000  
1 1 1 5  28 35 o 22.18000 1.268000  -6.999000      2.537000  
1 1 1 5  28 37 o 9.272000 2.180000  -1.471000      4.360000  
1 1 1 5  28 39 o 18.38000 1.256000  0.7377000      2.512000  
1 1 1 5  28 41 o 23.46000 2.366000  2.612000       4.731000  
1 1 1 5  29 0  o 18.39000 6.158000  0.000000       0.000000  
1 1 1 5  29 2  o 53.94000 1.888000  0.5595000      3.775000  
1 1 1 5  29 4  o 20.33000 3.848000  -3.993000      7.697000  
1 1 1 5  29 6  o 29.66000 3.959000  -1.136000      7.918000  
1 1 1 5  29 8  o 18.44000 4.261000  1.186000       8.523000  
1 1 1 5  29 10 o 52.42000 1.996000  0.8207000      3.992000  
1 1 1 5  29 12 o 66.54000 1.395000  -2.235000      2.790000  
1 1 1 5  29 14 o 38.36000 2.183000  -2.732000      4.366000  
1 1 1 5  29 16 o 47.06000 1.865000  -1.344000      3.731000  
1 1 1 5  29 18 o 32.67000 2.302000  2.381000       4.604000  
1 1 1 5  29 20 o 36.68000 1.742000  3.115000       3.483000  
1 1 1 5  29 22 o 17.78000 2.990000  -8.542000      5.979000  
1 1 1 5  29 24 o 10.20000 2.997000  -1.352000      5.993000  
1 1 1 5  29 26 f 24.00000 2.426000  1.893000       4.852000  
1 1 1 5  29 28 o 16.29000 3.027000  -5.532000      6.053000  
1 1 1 5  29 30 o 33.71000 1.947000  3.457000       3.894000  
1 1 1 5  29 32 o 16.14000 5.268000  12.99000       10.54000  
1 1 1 5  29 34 o 10.39000 2.756000  5.867000       5.512000  
1 1 1 5  29 36 o 8.258000 2.232000  -0.3700000     4.464000  
1 1 1 5  29 38 o 7.888000 2.082000  -0.6752000     4.163000  
1 1 1 5  29 40 o 12.71000 2.748000  -1.927000      5.497000  
1 1 1 5  30 1  o 24.33000 3.580000  4.404000       7.160000  
1 1 1 5  30 3  o 73.76000 1.782000  3.436000       3.565000  
1 1 1 5  30 5  o 17.11000 4.323000  -3.516000      8.647000  
1 1 1 5  30 7  o 34.23000 3.257000  -2.586000      6.515000  
1 1 1 5  30 9  o 31.77000 3.032000  7.703000       6.065000  
1 1 1 5  30 11 o 25.36000 3.412000  0.6901000      6.825000  
1 1 1 5  30 13 o 16.85000 3.744000  -1.798000      7.488000  
1 1 1 5  30 15 o 22.78000 3.161000  4.047000       6.323000  
1 1 1 5  30 17 o 37.09000 1.812000  0.5533000      3.624000  
1 1 1 5  30 19 o 17.79000 3.958000  1.159000       7.917000  
1 1 1 5  30 21 o 50.54000 1.883000  4.062000       3.766000  
1 1 1 5  30 23 o 35.96000 2.703000  -3.441000      5.406000  
1 1 1 5  30 25 o 17.01000 4.502000  -1.405000      9.003000  
1 1 1 5  30 27 o 16.25000 3.496000  9.554000       6.993000  
1 1 1 5  30 29 o 21.24000 2.931000  -12.50000      5.863000  
1 1 1 5  30 31 o 26.33000 3.544000  1.827000       7.088000  
1 1 1 5  30 33 o 16.72000 3.125000  -3.751000      6.251000  
1 1 1 5  30 35 o 14.67000 2.583000  -8.894000      5.167000  
1 1 1 5  30 37 o 8.010000 2.064000  -0.1269000E-01 4.128000  
1 1 1 5  30 39 o 31.23000 1.328000  1.269000       2.655000  
1 1 1 5  31 0  o 25.17000 5.020000  0.000000       0.000000  
1 1 1 5  31 2  o 37.39000 2.433000  -0.7459000     4.865000  
1 1 1 5  31 4  o 33.19000 2.812000  -1.987000      5.625000  
1 1 1 5  31 6  f 23.62000 5.312000  4.875000       10.62000  
1 1 1 5  31 8  f 37.28000 2.465000  2.739000       4.930000  
1 1 1 5  31 10 o 40.88000 2.447000  -2.183000      4.895000  
1 1 1 5  31 12 o 65.98000 1.582000  -0.1228000     3.164000  
1 1 1 5  31 14 o 42.26000 1.900000  1.350000       3.799000  
1 1 1 5  31 16 o 48.62000 1.787000  4.489000       3.575000  
1 1 1 5  31 18 o 46.45000 1.736000  3.811000       3.473000  
1 1 1 5  31 20 o 47.76000 1.721000  1.478000       3.442000  
1 1 1 5  31 22 o 32.43000 2.122000  -1.749000      4.244000  
1 1 1 5  31 24 o 17.67000 4.409000  6.019000       8.818000  
1 1 1 5  31 26 o 8.270000 4.104000  ?              ?         
1 1 1 5  31 30 o 15.53000 4.291000  7.319000       8.582000  
1 1 1 5  31 32 o 22.78000 2.584000  -15.04000      5.168000  
1 1 1 5  31 34 o 11.38000 3.554000  7.308000       7.109000  
1 1 1 5  31 36 o 18.85000 1.526000  -3.812000      3.052000  
1 1 1 5  31 38 o 26.92000 1.731000  8.019000       3.461000  
1 1 1 5  32 1  o 63.38000 1.964000  -3.265000      3.929000  
1 1 1 5  32 3  o 23.00000 4.074000  -2.314000      8.147000  
1 1 1 5  32 5  o 30.71000 3.119000  -0.4580000     6.238000  
1 1 1 5  32 7  o 50.64000 2.165000  1.440000       4.330000  
1 1 1 5  32 9  o 41.06000 2.309000  2.850000       4.618000  
1 1 1 5  32 11 o 52.79000 2.210000  -1.198000      4.420000  
1 1 1 5  32 13 o 88.96000 1.713000  -7.906000      3.427000  
1 1 1 5  32 15 o 21.38000 3.567000  0.5521000      7.135000  
1 1 1 5  32 17 o 37.78000 1.903000  -5.801000      3.806000  
1 1 1 5  32 19 o 11.53000 3.409000  -0.5457000     6.818000  
1 1 1 5  32 21 o 40.85000 2.617000  -0.3233000     5.234000  
1 1 1 5  32 23 o 11.67000 3.359000  1.061000       6.717000  
1 1 1 5  32 29 o 28.81000 2.646000  2.549000       5.292000  
1 1 1 5  32 31 o 11.25000 3.196000  0.5737000      6.392000  
1 1 1 5  32 33 o 19.34000 4.623000  2.813000       9.245000  
1 1 1 5  32 35 o 23.00000 3.108000  8.434000       6.216000  
1 1 1 5  32 37 o 24.55000 2.115000  4.160000       4.230000  
1 1 1 5  33 0  o 35.06000 4.949000  0.000000       0.000000  
1 1 1 5  33 2  o 55.56000 1.874000  1.818000       3.747000  
1 1 1 5  33 4  o 25.91000 3.834000  -9.138000      7.668000  
1 1 1 5  33 6  o 46.79000 2.086000  -0.3352000     4.172000  
1 1 1 5  33 8  o 56.26000 1.952000  3.255000       3.904000  
1 1 1 5  33 10 o 43.09000 2.291000  0.2713000      4.582000  
1 1 1 5  33 12 o 21.89000 3.948000  -0.1979000     7.896000  
1 1 1 5  33 14 o 15.49000 3.973000  -1.219000      7.946000  
1 1 1 5  33 16 o 61.30000 1.937000  0.6712000      3.874000  
1 1 1 5  33 18 o 34.84000 2.463000  -0.6785000     4.926000  
1 1 1 5  33 20 o 36.72000 2.993000  1.018000       5.985000  
1 1 1 5  33 22 o 9.967000 3.049000  0.7592000      6.098000  
1 1 1 5  33 24 o 42.49000 3.101000  13.04000       6.203000  
1 1 1 5  33 26 o 5.909000 2.893000  ?              ?         
1 1 1 5  33 28 o 36.82000 2.100000  4.434000       4.200000  
1 1 1 5  33 30 o 19.64000 2.934000  -3.443000      5.869000  
1 1 1 5  33 32 f 13.11000 3.459000  7.235000       6.917000  
1 1 1 5  33 34 o 14.63000 2.589000  -0.7435000     5.177000  
1 1 1 5  33 36 o 26.15000 1.565000  -0.8096000     3.130000  
1 1 1 5  34 1  o 70.82000 1.811000  -3.236000      3.622000  
1 1 1 5  34 3  o 36.01000 2.942000  1.153000       5.885000  
1 1 1 5  34 5  o 27.07000 3.916000  -3.889000      7.832000  
1 1 1 5  34 7  o 42.22000 2.630000  2.369000       5.260000  
1 1 1 5  34 9  o 15.45000 4.127000  -3.750000      8.254000  
1 1 1 5  34 11 o 17.68000 4.147000  2.055000       8.294000  
1 1 1 5  34 13 o 34.81000 2.992000  6.398000       5.984000  
1 1 1 5  34 15 o 43.85000 2.323000  -0.5250000E-01 4.647000  
1 1 1 5  34 17 o 19.80000 4.820000  -5.768000      9.639000  
1 1 1 5  34 19 o 10.88000 3.390000  0.9467000      6.780000  
1 1 1 5  34 21 o 18.86000 4.238000  4.638000       8.476000  
1 1 1 5  34 23 o 56.02000 1.713000  -6.557000      3.426000  
1 1 1 5  34 25 o 11.19000 3.044000  2.170000       6.087000  
1 1 1 5  34 27 f 23.72000 3.098000  -1.421000      6.196000  
1 1 1 5  34 29 o 26.72000 2.107000  -7.796000      4.214000  
1 1 1 5  34 31 o 20.26000 3.960000  0.6864000      7.920000  
1 1 1 5  34 33 o 8.382000 2.804000  4.837000       5.607000  
1 1 1 5  34 35 o 33.22000 1.670000  -1.895000      3.340000  
1 1 1 5  35 0  o 17.37000 6.271000  0.000000       0.000000  
1 1 1 5  35 2  o 14.32000 4.191000  -1.596000      8.382000  
1 1 1 5  35 4  o 65.47000 2.341000  6.089000       4.682000  
1 1 1 5  35 6  o 69.11000 1.863000  0.8339000E-01  3.726000  
1 1 1 5  35 8  o 33.12000 3.197000  3.537000       6.393000  
1 1 1 5  35 10 o 39.69000 2.601000  -2.171000      5.202000  
1 1 1 5  35 12 o 52.64000 2.115000  0.4973000      4.229000  
1 1 1 5  35 14 o 42.70000 2.670000  -1.790000      5.340000  
1 1 1 5  35 16 o 62.46000 2.233000  5.580000       4.466000  
1 1 1 5  35 18 o 18.23000 3.692000  2.333000       7.384000  
1 1 1 5  35 22 o 7.246000 3.541000  ?              ?         
1 1 1 5  35 24 o 15.12000 4.051000  -3.055000      8.102000  
1 1 1 5  35 26 o 23.31000 3.215000  -1.612000      6.429000  
1 1 1 5  35 28 o 23.42000 2.978000  5.162000       5.956000  
1 1 1 5  35 30 o 23.18000 2.976000  -1.845000      5.952000  
1 1 1 5  35 32 o 7.980000 2.591000  1.675000       5.182000  
1 1 1 5  35 34 o 33.90000 1.414000  -3.080000      2.829000  
1 1 1 5  36 1  o 17.48000 4.647000  -3.893000      9.295000  
1 1 1 5  36 3  o 31.48000 3.910000  2.235000       7.819000  
1 1 1 5  36 5  o 49.04000 2.354000  1.294000       4.707000  
1 1 1 5  36 7  o 17.02000 4.489000  2.368000       8.979000  
1 1 1 5  36 9  f 14.45000 4.258000  -0.2177000     8.515000  
1 1 1 5  36 11 o 13.71000 4.154000  -1.209000      8.308000  
1 1 1 5  36 13 o 17.17000 4.565000  0.4556000      9.130000  
1 1 1 5  36 15 o 13.81000 3.457000  1.341000       6.914000  
1 1 1 5  36 17 o 10.27000 3.412000  5.117000       6.824000  
1 1 1 5  36 19 o 57.95000 3.154000  -4.624000      6.308000  
1 1 1 5  36 21 o 9.616000 3.017000  4.375000       6.034000  
1 1 1 5  36 23 o 27.35000 3.745000  0.5933000      7.489000  
1 1 1 5  36 25 o 12.15000 3.544000  -1.651000      7.088000  
1 1 1 5  36 27 o 10.92000 3.223000  -1.394000      6.445000  
1 1 1 5  36 29 o 34.05000 2.097000  6.309000       4.194000  
1 1 1 5  36 31 o 13.23000 3.259000  5.775000       6.519000  
1 1 1 5  36 33 o 25.13000 1.682000  2.348000       3.365000  
1 1 1 5  37 0  o 65.16000 2.771000  0.000000       0.000000  
1 1 1 5  37 2  o 33.84000 3.808000  4.499000       7.617000  
1 1 1 5  37 4  o 36.78000 3.417000  -1.682000      6.835000  
1 1 1 5  37 6  o 48.99000 2.736000  3.201000       5.472000  
1 1 1 5  37 8  o 13.31000 4.199000  2.235000       8.399000  
1 1 1 5  37 10 o 40.67000 3.477000  -0.5690000     6.953000  
1 1 1 5  37 12 o 48.21000 4.073000  -9.999000      8.145000  
1 1 1 5  37 14 o 11.60000 3.185000  9.403000       6.370000  
1 1 1 5  37 16 o 64.57000 2.163000  -2.573000      4.326000  
1 1 1 5  37 20 o 11.99000 2.579000  6.533000       5.159000  
1 1 1 5  37 22 o 25.69000 3.718000  1.967000       7.435000  
1 1 1 5  37 24 o 27.75000 3.039000  -7.317000      6.077000  
1 1 1 5  37 26 o 17.71000 3.883000  -1.674000      7.766000  
1 1 1 5  37 28 f 22.80000 3.209000  10.12000       6.417000  
1 1 1 5  37 30 o 9.248000 3.042000  4.337000       6.084000  
1 1 1 5  37 32 o 9.383000 2.668000  1.656000       5.336000  
1 1 1 5  38 1  o 38.93000 3.092000  -1.817000      6.183000  
1 1 1 5  38 3  o 12.57000 4.014000  -1.899000      8.028000  
1 1 1 5  38 5  o 19.76000 5.100000  1.719000       10.20000  
1 1 1 5  38 7  f 29.44000 2.446000  4.407000       4.892000  
1 1 1 5  38 9  o 8.089000 2.751000  0.6063000E-01  5.503000  
1 1 1 5  38 13 o 66.20000 1.878000  0.2907000E-02  3.756000  
1 1 1 5  38 17 o 12.49000 2.982000  9.364000       5.963000  
1 1 1 5  38 19 o 31.66000 3.295000  2.900000       6.590000  
1 1 1 5  38 21 o 18.77000 4.093000  2.956000       8.186000  
1 1 1 5  38 23 o 20.44000 4.295000  -1.319000      8.591000  
1 1 1 5  38 25 o 15.73000 3.760000  3.674000       7.521000  
1 1 1 5  38 27 f 8.676000 2.683000  1.318000       5.365000  
1 1 1 5  38 29 o 7.786000 3.722000  ?              ?         
1 1 1 5  38 31 f 9.693000 2.863000  4.067000       5.726000  
1 1 1 5  39 0  o 9.587000 4.430000  0.000000       0.000000  
1 1 1 5  39 2  o 10.50000 3.598000  4.472000       7.195000  
1 1 1 5  39 4  f 7.913000 3.909000  ?              ?         
1 1 1 5  39 8  o 13.41000 3.995000  6.392000       7.991000  
1 1 1 5  39 10 o 69.18000 1.897000  -1.961000      3.793000  
1 1 1 5  39 12 o 9.159000 3.008000  0.9517000      6.016000  
1 1 1 5  39 14 o 13.92000 2.521000  7.693000       5.041000  
1 1 1 5  39 16 o 32.35000 3.608000  4.697000       7.217000  
1 1 1 5  39 18 o 16.32000 4.323000  0.8878000      8.646000  
1 1 1 5  39 20 o 10.15000 3.217000  -0.7496000     6.435000  
1 1 1 5  39 22 o 19.51000 3.558000  -2.391000      7.116000  
1 1 1 5  39 24 o 13.41000 3.500000  3.026000       7.000000  
1 1 1 5  39 26 o 8.397000 2.666000  2.890000       5.332000  
1 1 1 5  39 28 o 18.66000 2.683000  -6.590000      5.366000  
1 1 1 5  40 1  o 40.95000 2.971000  ?              ?         
1 1 1 5  40 3  o 72.70000 1.687000  -4.644000      3.374000  
1 1 1 5  40 5  o 33.94000 2.700000  1.085000       5.400000  
1 1 1 5  40 9  o 5.978000 3.001000  ?              ?         
1 1 1 5  40 11 o 5.705000 1.963000  -0.8351000     3.925000  
1 1 1 5  40 13 o 16.24000 4.741000  -0.4949000     9.483000  
1 1 1 5  40 15 o 16.51000 4.481000  0.4508000      8.962000  
1 1 1 5  40 17 o 28.53000 2.609000  -3.596000      5.219000  
1 1 1 5  40 19 o 18.12000 3.471000  4.181000       6.943000  
1 1 1 5  40 21 o 16.25000 3.980000  -3.780000      7.960000  
1 1 1 5  40 23 o 10.83000 3.436000  -0.5902000     6.872000  
1 1 1 5  40 25 o 9.372000 2.809000  5.859000       5.617000  
1 1 1 5  40 27 o 33.31000 1.275000  -0.6936000     2.551000  
1 1 1 5  41 2  o 6.668000 2.263000  -2.063000      4.527000  
1 1 1 5  41 4  o 8.489000 2.768000  1.075000       5.536000  
1 1 1 5  41 6  o 7.200000 2.380000  1.752000       4.760000  
1 1 1 5  41 8  o 17.43000 5.059000  -2.150000      10.12000  
1 1 1 5  41 10 o 20.78000 5.483000  -0.2684000     10.97000  
1 1 1 5  41 12 o 26.44000 5.174000  -3.828000      10.35000  
1 1 1 5  41 14 o 18.50000 3.934000  0.9347000      7.868000  
1 1 1 5  41 16 o 40.34000 3.848000  15.36000       7.696000  
1 1 1 5  41 18 o 21.36000 4.128000  1.231000       8.256000  
1 1 1 5  41 20 f 12.79000 3.772000  0.9915000      7.544000  
1 1 1 5  41 22 o 12.33000 3.108000  -0.9400000E-01 6.217000  
1 1 1 5  41 24 o 10.01000 2.992000  6.464000       5.984000  
1 1 1 5  41 26 o 5.951000 2.032000  -0.2840000     4.063000  
1 1 1 5  42 1  o 16.79000 5.071000  -1.146000      10.14000  
1 1 1 5  42 3  f 17.69000 5.244000  0.7863000      10.49000  
1 1 1 5  42 5  o 17.54000 5.026000  4.148000       10.05000  
1 1 1 5  42 7  o 19.08000 5.338000  -1.587000      10.68000  
1 1 1 5  42 9  o 20.01000 4.464000  -4.065000      8.929000  
1 1 1 5  42 11 o 15.98000 4.243000  -0.8708000     8.486000  
1 1 1 5  42 13 o 18.50000 4.754000  -3.845000      9.509000  
1 1 1 5  42 15 o 14.39000 4.357000  0.2999000      8.713000  
1 1 1 5  42 17 o 19.24000 4.598000  2.304000       9.196000  
1 1 1 5  42 19 o 10.38000 2.967000  -1.786000      5.934000  
1 1 1 5  42 21 o 8.698000 2.822000  4.642000       5.645000  
1 1 1 5  42 23 o 39.46000 1.309000  -0.5469000     2.619000  
1 1 1 5  43 0  o 53.81000 3.143000  0.000000       0.000000  
1 1 1 5  43 2  o 27.94000 3.150000  -0.9679000     6.300000  
1 1 1 5  43 4  o 14.27000 4.356000  5.042000       8.713000  
1 1 1 5  43 6  o 16.26000 4.738000  0.1824000      9.477000  
1 1 1 5  43 8  o 28.53000 3.637000  -6.687000      7.275000  
1 1 1 5  43 10 o 17.55000 4.218000  -2.387000      8.435000  
1 1 1 5  43 12 o 14.44000 4.313000  2.218000       8.625000  
1 1 1 5  43 14 o 15.24000 4.450000  -1.863000      8.899000  
1 1 1 5  43 16 o 9.699000 2.924000  -0.1446000     5.848000  
1 1 1 5  43 18 o 8.038000 2.739000  1.508000       5.479000  
1 1 1 5  43 20 o 10.49000 2.922000  0.5457000      5.845000  
1 1 1 5  43 22 o 5.431000 1.885000  0.8482000      3.769000  
1 1 1 5  44 1  o 10.45000 3.370000  0.9771000      6.740000  
1 1 1 5  44 3  o 11.87000 3.639000  -0.8168000     7.279000  
1 1 1 5  44 5  o 12.94000 4.089000  -2.249000      8.178000  
1 1 1 5  44 7  o 12.38000 3.994000  1.882000       7.989000  
1 1 1 5  44 9  o 13.30000 3.975000  -0.3504000     7.949000  
1 1 1 5  44 11 o 17.51000 4.697000  3.380000       9.395000  
1 1 1 5  44 13 o 9.379000 2.975000  1.129000       5.950000  
1 1 1 5  44 15 o 8.625000 2.865000  -0.1581000     5.730000  
1 1 1 5  44 17 o 5.355000 1.859000  -0.2453000     3.717000  
1 1 1 5  44 19 o 14.75000 2.917000  -7.423000      5.833000  
1 1 1 5  45 0  o 25.43000 5.541000  0.000000       0.000000  
1 1 1 5  45 2  f 14.26000 4.189000  -2.822000      8.378000  
1 1 1 5  45 4  o 13.56000 4.110000  3.173000       8.220000  
1 1 1 5  45 6  o 13.56000 4.193000  -1.293000      8.387000  
1 1 1 5  45 8  o 9.265000 2.846000  2.295000       5.693000  
1 1 1 5  45 10 o 8.359000 2.778000  3.588000       5.555000  
1 1 1 5  45 12 o 9.222000 2.991000  2.008000       5.982000  
1 1 1 5  45 14 o 9.861000 2.813000  -5.014000      5.626000  
1 1 1 5  45 16 o 16.91000 2.309000  10.07000       4.618000  
1 1 1 5  46 1  o 6.995000 2.370000  -0.3446000     4.740000  
1 1 1 5  46 3  o 7.291000 2.468000  -0.4728000E-01 4.937000  
1 1 1 5  46 5  o 7.294000 2.496000  1.469000       4.993000  
1 1 1 5  46 7  o 8.258000 2.806000  3.701000       5.611000  
1 1 1 5  46 9  o 4.991000 2.499000  ?              ?         
1 1 1 5  46 11 o 39.42000 2.052000  -0.9228000     4.105000  
1 1 1 5  46 13 o 6.871000 2.308000  2.775000       4.617000  
1 1 1 5  47 0  o 23.34000 2.172000  0.000000       0.000000  
1 1 1 5  47 2  o 26.04000 1.772000  -3.984000      3.543000  
1 1 1 5  47 4  o 41.57000 1.351000  0.9141000      2.701000  
1 1 1 5  47 6  o 32.07000 1.530000  1.736000       3.060000  
1 1 1 5  47 8  o 6.007000 2.076000  0.3974000      4.152000  
1 1 1 6  0  0  o 138.9000 3.540000  0.000000       0.000000  
1 1 1 6  0  2  o 167.2000 3.010000  0.000000       0.000000  
1 1 1 6  0  4  o 6.871000 0.8969000 0.000000       0.000000  
1 1 1 6  0  6  o 116.8000 2.107000  0.000000       0.000000  
1 1 1 6  0  8  o 13.36000 0.6284000 0.000000       0.000000  
1 1 1 6  0  10 o 54.75000 1.023000  0.000000       0.000000  
1 1 1 6  0  12 o 25.40000 0.6891000 0.000000       0.000000  
1 1 1 6  0  14 o 40.63000 1.221000  0.000000       0.000000  
1 1 1 6  0  16 o 6.156000 2.340000  0.000000       0.000000  
1 1 1 6  0  18 o 73.65000 1.595000  0.000000       0.000000  
1 1 1 6  0  20 o 152.6000 2.766000  0.000000       0.000000  
1 1 1 6  0  22 o 48.39000 1.248000  0.000000       0.000000  
1 1 1 6  0  24 o 176.8000 3.233000  0.000000       0.000000  
1 1 1 6  0  26 o 158.5000 2.921000  0.000000       0.000000  
1 1 1 6  0  28 o 10.41000 3.063000  0.000000       0.000000  
1 1 1 6  0  30 o 23.10000 1.707000  0.000000       0.000000  
1 1 1 6  0  32 o 83.09000 1.706000  0.000000       0.000000  
1 1 1 6  0  34 o 62.19000 1.393000  0.000000       0.000000  
1 1 1 6  0  36 o 12.12000 3.052000  0.000000       0.000000  
1 1 1 6  0  38 o 51.74000 1.539000  0.000000       0.000000  
1 1 1 6  0  40 o 80.02000 1.989000  0.000000       0.000000  
1 1 1 6  0  42 o 37.33000 2.155000  0.000000       0.000000  
1 1 1 6  0  44 o 28.93000 2.407000  0.000000       0.000000  
1 1 1 6  0  46 o 10.80000 3.399000  0.000000       0.000000  
1 1 1 6  0  48 o 22.64000 2.957000  0.000000       0.000000  
1 1 1 6  0  50 o 12.58000 3.833000  0.000000       0.000000  
1 1 1 6  1  1  o 61.45000 0.7948000 -0.5149000     1.590000  
1 1 1 6  1  3  o 88.69000 1.136000  0.2233000      2.273000  
1 1 1 6  1  5  o 64.42000 0.8611000 -0.1462000E-01 1.722000  
1 1 1 6  1  7  o 88.21000 1.131000  0.7776000      2.262000  
1 1 1 6  1  9  o 27.30000 0.4815000 -0.9966000     0.9631000 
1 1 1 6  1  11 o 43.35000 0.5998000 1.639000       1.200000  
1 1 1 6  1  13 o 82.50000 1.155000  1.206000       2.311000  
1 1 1 6  1  15 o 60.54000 1.053000  -2.788000      2.107000  
1 1 1 6  1  17 o 83.07000 1.177000  0.3770000      2.354000  
1 1 1 6  1  19 o 22.23000 0.7453000 -0.8472000     1.491000  
1 1 1 6  1  21 o 214.7000 3.171000  -0.3797000     6.342000  
1 1 1 6  1  23 o 69.57000 0.9987000 0.8885000      1.997000  
1 1 1 6  1  25 o 91.73000 1.498000  -2.927000      2.997000  
1 1 1 6  1  27 o 55.84000 1.399000  0.9934000      2.799000  
1 1 1 6  1  29 o 86.74000 1.213000  4.741000       2.426000  
1 1 1 6  1  31 o 71.96000 1.099000  -0.3431000     2.198000  
1 1 1 6  1  33 o 42.14000 0.9881000 2.108000       1.976000  
1 1 1 6  1  35 o 18.46000 1.500000  1.360000       3.001000  
1 1 1 6  1  37 o 68.77000 1.262000  -1.293000      2.525000  
1 1 1 6  1  39 o 52.83000 1.147000  0.6130000      2.293000  
1 1 1 6  1  41 o 27.46000 1.199000  -1.036000      2.399000  
1 1 1 6  1  43 o 27.08000 1.645000  -6.254000      3.290000  
1 1 1 6  1  45 o 34.64000 1.402000  0.1408000      2.805000  
1 1 1 6  1  47 o 17.67000 3.711000  -0.1464000     7.421000  
1 1 1 6  1  49 o 23.40000 1.870000  -1.723000      3.740000  
1 1 1 6  1  51 o 8.434000 2.544000  0.9187000      5.087000  
1 1 1 6  2  0  o 34.82000 0.6815000 0.000000       0.000000  
1 1 1 6  2  2  o 82.12000 1.054000  0.5384000      2.108000  
1 1 1 6  2  4  o 129.7000 1.713000  -2.426000      3.425000  
1 1 1 6  2  6  o 74.81000 0.9641000 0.9230000      1.928000  
1 1 1 6  2  8  o 116.1000 1.484000  -0.4417000     2.968000  
1 1 1 6  2  10 o 44.85000 0.6430000 -0.4855000     1.286000  
1 1 1 6  2  12 o 22.52000 0.7386000 -2.016000      1.477000  
1 1 1 6  2  14 o 85.11000 1.194000  -3.001000      2.387000  
1 1 1 6  2  16 o 58.15000 0.9680000 3.136000       1.936000  
1 1 1 6  2  18 o 29.01000 0.6545000 1.007000       1.309000  
1 1 1 6  2  20 o 154.9000 2.148000  2.128000       4.295000  
1 1 1 6  2  22 o 132.4000 1.719000  -3.549000      3.439000  
1 1 1 6  2  24 o 111.1000 1.595000  -6.343000      3.190000  
1 1 1 6  2  26 o 9.574000 2.481000  -0.7428000E-01 4.963000  
1 1 1 6  2  28 o 54.79000 1.011000  2.928000       2.023000  
1 1 1 6  2  30 o 64.67000 1.061000  0.4288000      2.122000  
1 1 1 6  2  32 o 112.9000 1.632000  -0.7700000     3.265000  
1 1 1 6  2  34 o 20.31000 1.310000  1.355000       2.620000  
1 1 1 6  2  36 o 32.62000 1.064000  4.187000       2.128000  
1 1 1 6  2  38 o 74.49000 1.124000  0.7491000E-01  2.247000  
1 1 1 6  2  40 o 47.68000 1.013000  2.573000       2.027000  
1 1 1 6  2  42 o 7.361000 2.275000  1.603000       4.550000  
1 1 1 6  2  44 o 39.50000 1.435000  -2.541000      2.869000  
1 1 1 6  2  46 o 43.85000 1.306000  1.872000       2.613000  
1 1 1 6  2  48 o 26.44000 1.751000  -2.371000      3.503000  
1 1 1 6  2  50 o 50.27000 1.723000  -0.9975000     3.447000  
1 1 1 6  3  1  o 146.8000 1.929000  1.767000       3.857000  
1 1 1 6  3  3  o 68.35000 0.8838000 -1.558000      1.768000  
1 1 1 6  3  5  o 148.1000 1.887000  -3.718000      3.774000  
1 1 1 6  3  7  o 33.23000 0.4856000 0.6217000      0.9712000 
1 1 1 6  3  9  o 70.46000 0.9160000 -1.417000      1.832000  
1 1 1 6  3  11 o 36.56000 0.6556000 0.8620000      1.311000  
1 1 1 6  3  13 o 41.12000 0.7311000 1.499000       1.462000  
1 1 1 6  3  15 o 99.03000 1.478000  4.293000       2.956000  
1 1 1 6  3  17 o 97.51000 1.628000  1.255000       3.255000  
1 1 1 6  3  19 o 34.97000 0.8289000 3.829000       1.658000  
1 1 1 6  3  21 o 49.25000 1.503000  -1.167000      3.006000  
1 1 1 6  3  23 o 86.94000 1.375000  -1.157000      2.751000  
1 1 1 6  3  25 o 64.69000 1.607000  -3.492000      3.215000  
1 1 1 6  3  27 o 37.45000 0.9467000 3.109000       1.893000  
1 1 1 6  3  29 f 60.34000 0.9768000 2.373000       1.954000  
1 1 1 6  3  31 o 9.580000 2.095000  -0.8308000     4.190000  
1 1 1 6  3  33 o 76.48000 1.191000  2.572000       2.382000  
1 1 1 6  3  35 o 36.99000 0.9072000 -0.4611000     1.814000  
1 1 1 6  3  37 o 30.15000 0.9404000 0.1687000      1.881000  
1 1 1 6  3  39 o 6.690000 1.926000  -0.9747000     3.851000  
1 1 1 6  3  41 o 27.09000 1.108000  -1.382000      2.216000  
1 1 1 6  3  43 o 22.75000 2.191000  -6.144000      4.383000  
1 1 1 6  3  45 o 23.74000 1.689000  -2.705000      3.379000  
1 1 1 6  3  47 o 15.13000 2.173000  -0.2118000     4.346000  
1 1 1 6  3  49 o 9.674000 2.356000  4.465000       4.712000  
1 1 1 6  3  51 o 8.576000 3.836000  ?              ?         
1 1 1 6  4  0  o 66.94000 1.231000  0.000000       0.000000  
1 1 1 6  4  2  o 15.63000 0.4617000 0.5927000      0.9233000 
1 1 1 6  4  4  o 30.78000 0.4672000 1.602000       0.9344000 
1 1 1 6  4  6  o 116.6000 1.493000  1.013000       2.986000  
1 1 1 6  4  8  o 56.56000 0.7493000 -0.4967000     1.499000  
1 1 1 6  4  10 o 69.35000 0.9811000 2.404000       1.962000  
1 1 1 6  4  12 o 28.32000 0.6512000 1.016000       1.302000  
1 1 1 6  4  14 o 27.83000 0.7534000 0.2132000      1.507000  
1 1 1 6  4  16 o 81.21000 1.158000  -1.711000      2.316000  
1 1 1 6  4  18 o 99.17000 1.407000  -0.6523000     2.814000  
1 1 1 6  4  20 o 67.96000 1.239000  -2.652000      2.477000  
1 1 1 6  4  22 o 97.28000 1.415000  0.2865000      2.830000  
1 1 1 6  4  24 o 85.88000 1.458000  -4.807000      2.916000  
1 1 1 6  4  26 o 59.89000 1.008000  -0.9755000     2.016000  
1 1 1 6  4  28 o 27.79000 0.8880000 -3.489000      1.776000  
1 1 1 6  4  30 o 7.067000 1.907000  -1.600000      3.815000  
1 1 1 6  4  32 o 38.73000 0.8317000 -1.064000      1.663000  
1 1 1 6  4  34 o 63.90000 0.9687000 -1.497000      1.937000  
1 1 1 6  4  36 o 20.96000 1.091000  -2.149000      2.181000  
1 1 1 6  4  38 o 36.86000 0.9009000 -1.116000      1.802000  
1 1 1 6  4  40 o 64.75000 1.118000  1.479000       2.237000  
1 1 1 6  4  42 o 28.62000 1.483000  2.848000       2.966000  
1 1 1 6  4  44 o 20.52000 1.895000  3.583000       3.789000  
1 1 1 6  4  46 o 29.57000 1.544000  -0.9533000E-01 3.088000  
1 1 1 6  4  48 o 30.81000 1.083000  2.620000       2.166000  
1 1 1 6  4  50 o 20.62000 1.929000  5.685000       3.859000  
1 1 1 6  5  1  o 104.2000 1.335000  1.075000       2.670000  
1 1 1 6  5  3  o 109.0000 1.441000  -1.105000      2.881000  
1 1 1 6  5  5  o 78.70000 1.019000  -1.767000      2.038000  
1 1 1 6  5  7  o 78.85000 1.023000  -1.336000      2.045000  
1 1 1 6  5  9  o 36.97000 0.5819000 -0.2278000     1.164000  
1 1 1 6  5  11 o 24.97000 0.4963000 0.2725000      0.9926000 
1 1 1 6  5  13 o 56.51000 1.024000  2.282000       2.048000  
1 1 1 6  5  15 o 114.7000 1.612000  4.898000       3.224000  
1 1 1 6  5  17 o 83.04000 1.195000  -0.9998000     2.390000  
1 1 1 6  5  19 o 81.90000 1.363000  6.317000       2.726000  
1 1 1 6  5  21 o 93.22000 1.622000  6.106000       3.244000  
1 1 1 6  5  23 o 119.7000 1.691000  5.276000       3.381000  
1 1 1 6  5  25 o 23.32000 1.356000  -5.044000      2.712000  
1 1 1 6  5  27 o 58.84000 1.032000  2.003000       2.064000  
1 1 1 6  5  29 o 39.86000 0.7487000 -0.3504000E-01 1.497000  
1 1 1 6  5  31 o 56.09000 0.8845000 -1.904000      1.769000  
1 1 1 6  5  33 o 19.58000 0.9719000 4.331000       1.944000  
1 1 1 6  5  35 f 34.61000 0.8280000 -1.656000      1.656000  
1 1 1 6  5  37 o 34.78000 0.8793000 -1.276000      1.759000  
1 1 1 6  5  39 o 8.532000 1.945000  -0.5185000     3.890000  
1 1 1 6  5  41 o 8.573000 2.069000  2.788000       4.137000  
1 1 1 6  5  43 o 32.83000 2.177000  -6.368000      4.355000  
1 1 1 6  5  45 o 33.52000 1.045000  -0.8977000     2.090000  
1 1 1 6  5  47 o 16.54000 1.482000  -0.6586000     2.964000  
1 1 1 6  5  49 o 12.92000 2.044000  4.545000       4.088000  
1 1 1 6  6  0  o 28.91000 0.6647000 0.000000       0.000000  
1 1 1 6  6  2  o 46.90000 0.6411000 1.223000       1.282000  
1 1 1 6  6  4  o 76.74000 1.024000  -2.338000      2.048000  
1 1 1 6  6  6  o 51.95000 0.7064000 -1.743000      1.413000  
1 1 1 6  6  8  o 70.98000 1.004000  -1.320000      2.008000  
1 1 1 6  6  10 o 104.7000 1.352000  2.151000       2.704000  
1 1 1 6  6  12 o 7.273000 1.013000  0.2451000      2.025000  
1 1 1 6  6  14 o 31.64000 0.5537000 2.314000       1.107000  
1 1 1 6  6  16 o 81.78000 1.253000  -1.567000      2.505000  
1 1 1 6  6  18 o 91.70000 2.090000  1.235000       4.179000  
1 1 1 6  6  20 o 15.29000 2.104000  -1.390000      4.208000  
1 1 1 6  6  22 o 35.27000 1.866000  -7.852000      3.732000  
1 1 1 6  6  26 f 68.22000 1.274000  -0.4216000     2.548000  
1 1 1 6  6  28 o 44.08000 0.9615000 -1.530000      1.923000  
1 1 1 6  6  30 o 64.53000 1.168000  0.7262000      2.336000  
1 1 1 6  6  32 o 76.94000 1.230000  3.194000       2.460000  
1 1 1 6  6  34 o 18.95000 0.8246000 0.2607000      1.649000  
1 1 1 6  6  36 o 6.167000 1.663000  0.7328000      3.327000  
1 1 1 6  6  38 o 17.48000 1.027000  1.179000       2.054000  
1 1 1 6  6  40 o 42.33000 0.9808000 1.937000       1.962000  
1 1 1 6  6  42 o 46.53000 1.571000  -2.006000      3.142000  
1 1 1 6  6  44 o 6.979000 2.035000  0.3580000E-01  4.069000  
1 1 1 6  6  46 f 33.31000 1.007000  2.904000       2.014000  
1 1 1 6  6  48 o 34.99000 1.002000  3.707000       2.003000  
1 1 1 6  6  50 o 37.47000 1.042000  -3.222000      2.084000  
1 1 1 6  7  1  o 85.92000 1.109000  0.1215000      2.219000  
1 1 1 6  7  3  o 69.14000 0.9090000 -3.640000      1.818000  
1 1 1 6  7  5  o 99.00000 1.315000  -3.687000      2.631000  
1 1 1 6  7  7  o 20.82000 0.6354000 -0.9384000     1.271000  
1 1 1 6  7  9  o 85.09000 1.110000  0.7397000      2.219000  
1 1 1 6  7  11 o 59.33000 0.8752000 -0.9293000     1.750000  
1 1 1 6  7  13 o 70.47000 1.010000  -1.301000      2.021000  
1 1 1 6  7  15 o 16.02000 0.6819000 2.548000       1.364000  
1 1 1 6  7  17 o 77.57000 1.371000  0.2133000      2.742000  
1 1 1 6  7  19 o 52.87000 1.473000  -1.207000      2.947000  
1 1 1 6  7  21 o 15.98000 2.501000  -7.766000      5.003000  
1 1 1 6  7  23 o 20.19000 2.708000  -1.518000      5.415000  
1 1 1 6  7  25 o 82.34000 1.591000  2.641000       3.182000  
1 1 1 6  7  27 o 60.60000 1.108000  0.9447000      2.216000  
1 1 1 6  7  29 o 63.33000 1.159000  -2.011000      2.318000  
1 1 1 6  7  31 o 12.72000 1.881000  -4.860000      3.763000  
1 1 1 6  7  33 o 71.77000 1.253000  1.949000       2.506000  
1 1 1 6  7  35 o 30.26000 1.089000  -0.4241000E-01 2.178000  
1 1 1 6  7  37 o 33.84000 1.051000  -5.307000      2.102000  
1 1 1 6  7  39 o 41.72000 1.567000  2.349000       3.134000  
1 1 1 6  7  41 o 11.17000 2.340000  5.270000       4.680000  
1 1 1 6  7  43 o 11.92000 3.596000  10.74000       7.192000  
1 1 1 6  7  45 o 32.06000 1.466000  -0.5127000     2.933000  
1 1 1 6  7  47 o 35.64000 1.420000  1.788000       2.839000  
1 1 1 6  7  49 o 18.77000 1.102000  0.5817000      2.204000  
1 1 1 6  8  0  o 123.9000 2.247000  0.000000       0.000000  
1 1 1 6  8  2  o 106.7000 1.374000  1.203000       2.748000  
1 1 1 6  8  4  o 62.03000 0.8322000 -2.319000      1.664000  
1 1 1 6  8  6  o 46.34000 0.7925000 -0.8487000     1.585000  
1 1 1 6  8  8  o 57.35000 0.9106000 -1.596000      1.821000  
1 1 1 6  8  10 o 13.48000 1.401000  1.180000       2.802000  
1 1 1 6  8  12 o 40.78000 1.136000  -1.312000      2.271000  
1 1 1 6  8  14 o 19.02000 0.7106000 -1.478000      1.421000  
1 1 1 6  8  16 o 39.47000 0.9453000 ?              ?         
1 1 1 6  8  18 o 99.73000 2.339000  7.281000       4.679000  
1 1 1 6  8  20 o 85.59000 1.547000  3.168000       3.094000  
1 1 1 6  8  22 o 104.7000 2.526000  -1.544000      5.052000  
1 1 1 6  8  24 o 130.9000 2.225000  7.114000       4.449000  
1 1 1 6  8  26 o 65.13000 1.211000  -3.326000      2.422000  
1 1 1 6  8  28 o 67.07000 1.179000  -1.258000      2.359000  
1 1 1 6  8  30 o 82.95000 1.358000  0.9912000      2.716000  
1 1 1 6  8  32 o 35.54000 1.002000  0.2375000      2.005000  
1 1 1 6  8  34 o 48.09000 1.113000  -5.107000      2.226000  
1 1 1 6  8  36 o 20.73000 1.667000  0.1478000      3.334000  
1 1 1 6  8  38 o 31.53000 1.452000  0.2454000E-01  2.904000  
1 1 1 6  8  40 o 28.56000 1.269000  -5.423000      2.538000  
1 1 1 6  8  42 o 72.45000 2.179000  -0.3713000     4.358000  
1 1 1 6  8  44 o 21.92000 2.463000  2.324000       4.927000  
1 1 1 6  8  46 o 35.00000 1.336000  0.3145000      2.672000  
1 1 1 6  8  48 o 26.21000 1.791000  -1.405000      3.581000  
1 1 1 6  8  50 o 18.50000 3.669000  -3.849000      7.338000  
1 1 1 6  9  1  o 44.40000 0.7204000 -1.107000      1.441000  
1 1 1 6  9  3  o 55.46000 0.8361000 -0.8469000     1.672000  
1 1 1 6  9  5  o 50.53000 0.8210000 -1.448000      1.642000  
1 1 1 6  9  7  o 31.87000 0.7060000 -0.9607000     1.412000  
1 1 1 6  9  9  o 14.12000 0.9880000 -2.193000      1.976000  
1 1 1 6  9  11 o 79.07000 1.291000  1.548000       2.582000  
1 1 1 6  9  13 o 49.68000 0.8863000 0.2621000      1.773000  
1 1 1 6  9  15 o 79.34000 1.217000  1.666000       2.434000  
1 1 1 6  9  17 o 60.72000 0.9532000 1.212000       1.906000  
1 1 1 6  9  19 o 116.5000 1.984000  0.1502000      3.968000  
1 1 1 6  9  21 f 91.59000 1.671000  -2.288000      3.342000  
1 1 1 6  9  23 o 18.30000 4.569000  7.152000       9.138000  
1 1 1 6  9  25 o 108.4000 1.712000  -4.199000      3.424000  
1 1 1 6  9  27 o 12.88000 1.564000  0.3378000      3.129000  
1 1 1 6  9  29 o 46.39000 1.028000  -0.3173000E-01 2.056000  
1 1 1 6  9  31 f 19.63000 1.324000  -2.410000      2.649000  
1 1 1 6  9  33 o 32.83000 1.069000  3.288000       2.138000  
1 1 1 6  9  35 o 42.98000 1.327000  1.121000       2.655000  
1 1 1 6  9  37 o 16.02000 1.712000  -1.162000      3.425000  
1 1 1 6  9  39 o 25.60000 1.250000  1.378000       2.499000  
1 1 1 6  9  41 o 61.22000 1.519000  0.3429000      3.038000  
1 1 1 6  9  43 f 55.53000 1.702000  1.305000       3.404000  
1 1 1 6  9  45 o 45.04000 1.444000  5.993000       2.888000  
1 1 1 6  9  47 o 56.75000 1.451000  0.6355000      2.902000  
1 1 1 6  9  49 o 19.97000 2.496000  0.1967000      4.992000  
1 1 1 6  10 0  o 132.6000 2.780000  0.000000       0.000000  
1 1 1 6  10 2  o 83.23000 1.413000  -0.7225000     2.826000  
1 1 1 6  10 4  o 96.20000 1.524000  -3.203000      3.049000  
1 1 1 6  10 6  o 68.61000 1.195000  0.9853000      2.390000  
1 1 1 6  10 8  o 76.07000 1.245000  -0.8565000     2.490000  
1 1 1 6  10 10 o 46.30000 0.8564000 0.2494000      1.713000  
1 1 1 6  10 12 o 99.50000 1.405000  -2.062000      2.811000  
1 1 1 6  10 14 o 53.73000 0.8617000 1.108000       1.723000  
1 1 1 6  10 16 o 44.84000 0.9031000 2.785000       1.806000  
1 1 1 6  10 18 o 21.13000 1.551000  1.863000       3.102000  
1 1 1 6  10 20 o 130.5000 2.971000  0.7077000      5.942000  
1 1 1 6  10 22 f 16.27000 2.861000  -6.688000      5.723000  
1 1 1 6  10 24 o 67.47000 1.277000  -1.993000      2.553000  
1 1 1 6  10 26 o 75.03000 1.584000  4.344000       3.168000  
1 1 1 6  10 28 o 12.29000 1.740000  -1.912000      3.481000  
1 1 1 6  10 30 o 94.92000 1.684000  -2.150000      3.368000  
1 1 1 6  10 32 o 33.99000 1.029000  -2.724000      2.057000  
1 1 1 6  10 34 o 36.23000 1.186000  0.2238000E-01  2.373000  
1 1 1 6  10 36 o 29.83000 1.113000  -2.892000      2.225000  
1 1 1 6  10 38 o 41.35000 1.159000  -0.7469000E-01 2.318000  
1 1 1 6  10 40 o 50.06000 1.958000  8.425000       3.916000  
1 1 1 6  10 42 o 32.63000 1.831000  -1.467000      3.662000  
1 1 1 6  10 44 o 39.03000 1.504000  0.3009000      3.008000  
1 1 1 6  10 46 f 39.80000 1.435000  4.544000       2.869000  
1 1 1 6  10 48 o 35.26000 1.730000  -2.611000      3.460000  
1 1 1 6  10 50 o 9.124000 3.928000  ?              ?         
1 1 1 6  11 1  o 130.7000 2.161000  -3.632000      4.321000  
1 1 1 6  11 3  o 25.18000 0.6874000 -1.603000      1.375000  
1 1 1 6  11 5  o 29.18000 0.7807000 0.8847000      1.561000  
1 1 1 6  11 7  o 88.10000 1.414000  -1.591000      2.828000  
1 1 1 6  11 9  o 85.01000 1.127000  -2.139000      2.255000  
1 1 1 6  11 11 o 37.08000 0.9617000 0.3628000      1.923000  
1 1 1 6  11 13 o 21.01000 0.8129000 -3.117000      1.626000  
1 1 1 6  11 15 o 48.79000 0.8362000 -0.5595000     1.672000  
1 1 1 6  11 17 o 120.5000 1.701000  -0.1130000     3.402000  
1 1 1 6  11 19 o 89.70000 1.531000  -5.889000      3.062000  
1 1 1 6  11 21 o 69.72000 1.592000  9.218000       3.184000  
1 1 1 6  11 23 o 49.53000 1.415000  -0.2582000     2.830000  
1 1 1 6  11 25 f 50.64000 1.069000  0.4487000      2.139000  
1 1 1 6  11 27 o 81.52000 1.374000  4.308000       2.749000  
1 1 1 6  11 29 o 11.79000 1.746000  -0.5076000     3.493000  
1 1 1 6  11 31 o 75.05000 1.355000  1.060000       2.710000  
1 1 1 6  11 33 o 45.67000 1.226000  -2.394000      2.453000  
1 1 1 6  11 35 o 39.72000 1.084000  -1.417000      2.168000  
1 1 1 6  11 37 o 35.58000 1.087000  0.7799000      2.173000  
1 1 1 6  11 39 o 8.550000 2.260000  -2.742000      4.521000  
1 1 1 6  11 41 o 29.79000 2.604000  9.505000       5.209000  
1 1 1 6  11 43 o 39.41000 1.435000  -0.1595000     2.870000  
1 1 1 6  11 45 o 12.68000 2.366000  -12.31000      4.733000  
1 1 1 6  11 47 o 23.26000 1.999000  2.141000       3.997000  
1 1 1 6  11 49 o 30.22000 1.455000  -6.142000      2.909000  
1 1 1 6  12 0  o 160.5000 4.105000  0.000000       0.000000  
1 1 1 6  12 2  o 94.91000 1.609000  -2.167000      3.217000  
1 1 1 6  12 4  o 100.2000 1.595000  3.082000       3.189000  
1 1 1 6  12 6  o 120.5000 1.691000  -3.358000      3.381000  
1 1 1 6  12 8  o 40.78000 0.7962000 -0.1362000     1.592000  
1 1 1 6  12 10 o 73.65000 1.240000  1.502000       2.479000  
1 1 1 6  12 12 o 62.95000 1.193000  -0.2026000     2.386000  
1 1 1 6  12 14 o 66.89000 1.025000  2.234000       2.051000  
1 1 1 6  12 16 o 36.86000 0.9318000 1.996000       1.864000  
1 1 1 6  12 18 o 62.93000 1.037000  -3.788000      2.075000  
1 1 1 6  12 20 o 73.88000 1.448000  8.320000       2.897000  
1 1 1 6  12 22 o 54.68000 2.126000  11.54000       4.252000  
1 1 1 6  12 24 o 50.14000 2.332000  0.1740000      4.663000  
1 1 1 6  12 26 o 105.6000 1.679000  3.639000       3.358000  
1 1 1 6  12 28 o 24.74000 1.092000  7.304000       2.184000  
1 1 1 6  12 30 o 38.96000 1.121000  1.344000       2.242000  
1 1 1 6  12 32 o 8.276000 2.053000  0.9948000      4.106000  
1 1 1 6  12 34 o 31.11000 1.140000  4.869000       2.279000  
1 1 1 6  12 36 o 7.361000 2.038000  -2.415000      4.076000  
1 1 1 6  12 38 o 23.63000 1.209000  -5.646000      2.418000  
1 1 1 6  12 40 o 8.944000 2.455000  -0.9421000     4.910000  
1 1 1 6  12 42 o 47.19000 1.557000  4.862000       3.114000  
1 1 1 6  12 44 o 18.48000 2.115000  0.1369000      4.231000  
1 1 1 6  12 46 o 20.25000 2.150000  1.886000       4.301000  
1 1 1 6  12 48 o 44.41000 1.738000  -2.037000      3.475000  
1 1 1 6  13 1  o 42.40000 0.8973000 -3.392000      1.795000  
1 1 1 6  13 3  o 30.22000 0.7564000 0.3212000      1.513000  
1 1 1 6  13 5  o 38.71000 0.8117000 1.753000       1.623000  
1 1 1 6  13 7  o 83.22000 1.210000  0.2139000      2.421000  
1 1 1 6  13 9  o 62.60000 0.9805000 -1.059000      1.961000  
1 1 1 6  13 11 o 12.39000 1.551000  -0.2877000     3.103000  
1 1 1 6  13 13 o 21.10000 0.9497000 3.820000       1.899000  
1 1 1 6  13 15 o 58.89000 0.9650000 -0.3715000     1.930000  
1 1 1 6  13 17 o 166.2000 2.569000  4.902000       5.139000  
1 1 1 6  13 19 o 58.75000 1.323000  -0.9269000     2.647000  
1 1 1 6  13 21 o 83.69000 2.997000  -5.300000      5.994000  
1 1 1 6  13 23 o 85.63000 2.206000  2.936000       4.413000  
1 1 1 6  13 25 o 70.54000 1.939000  -2.711000      3.878000  
1 1 1 6  13 27 o 44.96000 2.173000  3.018000       4.345000  
1 1 1 6  13 29 o 18.47000 3.198000  -2.436000      6.397000  
1 1 1 6  13 31 o 48.25000 1.158000  -1.357000      2.316000  
1 1 1 6  13 33 o 50.61000 1.127000  -2.488000      2.254000  
1 1 1 6  13 35 o 32.81000 1.265000  2.162000       2.530000  
1 1 1 6  13 37 o 51.66000 1.280000  -2.923000      2.561000  
1 1 1 6  13 39 o 11.75000 2.366000  -1.031000      4.731000  
1 1 1 6  13 41 o 49.49000 1.635000  5.501000       3.270000  
1 1 1 6  13 43 o 33.59000 1.277000  -1.944000      2.554000  
1 1 1 6  13 45 o 20.05000 1.992000  2.447000       3.984000  
1 1 1 6  13 47 o 10.87000 3.340000  4.704000       6.679000  
1 1 1 6  13 49 o 8.611000 2.930000  2.419000       5.860000  
1 1 1 6  14 0  o 53.53000 1.374000  0.000000       0.000000  
1 1 1 6  14 2  o 29.59000 0.7742000 0.3743000E-01  1.548000  
1 1 1 6  14 4  o 53.66000 0.8881000 -2.102000      1.776000  
1 1 1 6  14 6  o 94.48000 1.252000  -0.5143000     2.503000  
1 1 1 6  14 8  o 26.82000 0.7786000 -1.028000      1.557000  
1 1 1 6  14 10 o 78.29000 1.072000  1.183000       2.144000  
1 1 1 6  14 12 o 15.88000 1.087000  0.7657000      2.174000  
1 1 1 6  14 14 o 45.55000 0.9057000 1.686000       1.811000  
1 1 1 6  14 16 f 120.6000 1.900000  4.449000       3.801000  
1 1 1 6  14 18 o 80.71000 1.425000  2.326000       2.850000  
1 1 1 6  14 20 o 51.36000 1.232000  -1.962000      2.463000  
1 1 1 6  14 22 o 67.25000 1.573000  ?              ?         
1 1 1 6  14 24 o 40.15000 2.469000  -3.128000      4.938000  
1 1 1 6  14 26 o 34.94000 2.192000  -8.341000      4.383000  
1 1 1 6  14 28 o 25.76000 3.026000  -2.523000      6.052000  
1 1 1 6  14 30 o 40.91000 2.080000  -3.756000      4.160000  
1 1 1 6  14 32 o 70.72000 1.889000  -2.321000      3.779000  
1 1 1 6  14 34 o 41.56000 2.145000  -2.591000      4.290000  
1 1 1 6  14 36 o 29.35000 5.100000  -2.119000      10.20000  
1 1 1 6  14 38 o 34.58000 1.229000  3.641000       2.459000  
1 1 1 6  14 40 o 30.90000 1.625000  -7.193000      3.250000  
1 1 1 6  14 42 o 33.16000 1.378000  2.421000       2.755000  
1 1 1 6  14 44 o 9.413000 2.321000  -0.1089000     4.642000  
1 1 1 6  14 46 o 8.115000 2.390000  -2.782000      4.781000  
1 1 1 6  14 48 o 26.26000 1.895000  -2.811000      3.789000  
1 1 1 6  15 1  o 34.02000 0.9237000 1.693000       1.847000  
1 1 1 6  15 3  o 38.37000 0.8706000 -3.296000      1.741000  
1 1 1 6  15 5  o 24.85000 0.9567000 -0.8663000     1.913000  
1 1 1 6  15 7  o 52.40000 0.8882000 1.037000       1.776000  
1 1 1 6  15 9  o 83.99000 1.345000  -5.018000      2.690000  
1 1 1 6  15 11 o 38.51000 0.8499000 1.189000       1.700000  
1 1 1 6  15 13 o 32.22000 0.8281000 -0.7683000     1.656000  
1 1 1 6  15 15 o 164.4000 2.479000  -3.236000      4.959000  
1 1 1 6  15 17 o 76.40000 1.391000  -4.632000      2.781000  
1 1 1 6  15 19 o 12.95000 2.900000  4.558000       5.800000  
1 1 1 6  15 21 o 48.96000 1.262000  -2.255000      2.523000  
1 1 1 6  15 23 o 80.18000 1.368000  0.3581000      2.736000  
1 1 1 6  15 25 o 40.89000 2.314000  0.4431000E-01  4.628000  
1 1 1 6  15 27 o 38.47000 2.015000  -0.5031000     4.030000  
1 1 1 6  15 29 o 38.68000 2.146000  0.3918000      4.293000  
1 1 1 6  15 31 o 27.36000 2.819000  0.2688000      5.638000  
1 1 1 6  15 33 o 38.57000 2.028000  -4.979000      4.055000  
1 1 1 6  15 35 o 19.92000 5.001000  6.686000       10.00000  
1 1 1 6  15 37 o 48.50000 2.478000  -6.406000      4.956000  
1 1 1 6  15 39 o 30.98000 1.632000  ?              ?         
1 1 1 6  15 41 o 13.54000 3.550000  1.156000       7.099000  
1 1 1 6  15 43 o 27.47000 2.961000  -10.56000      5.921000  
1 1 1 6  15 45 o 27.81000 2.743000  7.308000       5.487000  
1 1 1 6  15 47 o 15.20000 3.561000  8.510000       7.122000  
1 1 1 6  16 0  o 67.44000 1.389000  0.000000       0.000000  
1 1 1 6  16 2  o 64.73000 0.9585000 0.9781000      1.917000  
1 1 1 6  16 4  o 27.93000 1.009000  0.7278000      2.018000  
1 1 1 6  16 6  o 49.24000 0.8482000 -1.398000      1.696000  
1 1 1 6  16 8  o 60.26000 0.9994000 -0.8194000     1.999000  
1 1 1 6  16 10 o 115.8000 1.638000  1.472000       3.276000  
1 1 1 6  16 12 o 55.45000 0.9755000 -2.771000      1.951000  
1 1 1 6  16 14 o 96.93000 1.728000  -3.546000      3.456000  
1 1 1 6  16 16 o 45.13000 1.189000  -0.9215000     2.378000  
1 1 1 6  16 18 o 159.2000 2.522000  5.020000       5.045000  
1 1 1 6  16 20 o 153.8000 2.390000  -3.972000      4.780000  
1 1 1 6  16 22 o 53.78000 1.136000  0.2667000      2.272000  
1 1 1 6  16 24 o 58.48000 1.163000  -2.674000      2.325000  
1 1 1 6  16 26 o 21.04000 3.329000  -2.973000      6.658000  
1 1 1 6  16 28 o 36.11000 2.575000  -8.373000      5.151000  
1 1 1 6  16 30 o 23.26000 3.234000  -5.128000      6.468000  
1 1 1 6  16 32 o 33.77000 4.937000  -17.17000      9.873000  
1 1 1 6  16 34 o 14.46000 3.226000  1.891000       6.451000  
1 1 1 6  16 36 f 70.97000 2.337000  8.661000       4.673000  
1 1 1 6  16 38 o 10.17000 3.009000  1.251000       6.019000  
1 1 1 6  16 40 o 29.34000 4.483000  -14.08000      8.967000  
1 1 1 6  16 42 o 17.86000 4.509000  13.40000       9.019000  
1 1 1 6  16 44 o 20.74000 2.922000  2.916000       5.845000  
1 1 1 6  16 46 f 22.88000 3.331000  3.614000       6.663000  
1 1 1 6  16 48 o 8.391000 3.838000  ?              ?         
1 1 1 6  17 1  o 129.0000 1.677000  -0.8786000     3.355000  
1 1 1 6  17 3  o 33.15000 0.9074000 -0.4030000     1.815000  
1 1 1 6  17 5  o 76.00000 1.182000  -0.6668000     2.364000  
1 1 1 6  17 7  o 47.93000 0.9718000 -0.9731000     1.944000  
1 1 1 6  17 9  o 75.07000 1.234000  -1.298000      2.467000  
1 1 1 6  17 11 o 47.95000 1.080000  1.759000       2.159000  
1 1 1 6  17 13 o 29.79000 1.066000  -4.108000      2.132000  
1 1 1 6  17 15 o 53.81000 1.453000  3.799000       2.907000  
1 1 1 6  17 17 o 140.9000 2.263000  -4.440000      4.526000  
1 1 1 6  17 19 o 133.4000 2.126000  -1.580000      4.251000  
1 1 1 6  17 21 o 43.21000 1.206000  4.436000       2.412000  
1 1 1 6  17 23 o 34.08000 4.525000  -23.05000      9.049000  
1 1 1 6  17 25 o 108.1000 1.837000  9.727000       3.674000  
1 1 1 6  17 27 o 56.92000 1.822000  5.643000       3.645000  
1 1 1 6  17 29 f 26.16000 4.680000  -7.226000      9.360000  
1 1 1 6  17 31 o 48.40000 2.098000  -8.343000      4.196000  
1 1 1 6  17 33 o 54.51000 1.872000  -5.602000      3.744000  
1 1 1 6  17 35 o 18.73000 3.203000  -0.4718000E-01 6.406000  
1 1 1 6  17 37 o 20.56000 3.266000  -5.311000      6.532000  
1 1 1 6  17 39 o 18.70000 3.738000  -5.535000      7.477000  
1 1 1 6  17 41 o 14.65000 3.967000  4.014000       7.934000  
1 1 1 6  17 43 o 25.61000 2.187000  5.589000       4.374000  
1 1 1 6  17 45 o 37.84000 2.730000  0.1086000      5.459000  
1 1 1 6  17 47 o 34.87000 1.870000  -7.077000      3.741000  
1 1 1 6  18 0  o 38.55000 1.297000  0.000000       0.000000  
1 1 1 6  18 2  o 92.54000 1.259000  -1.691000      2.518000  
1 1 1 6  18 4  o 42.78000 0.9005000 0.6508000      1.801000  
1 1 1 6  18 6  o 130.4000 1.706000  -1.117000      3.413000  
1 1 1 6  18 8  o 35.25000 1.056000  -0.1801000     2.112000  
1 1 1 6  18 10 f 130.1000 1.717000  -3.075000      3.433000  
1 1 1 6  18 12 o 135.7000 1.943000  1.805000       3.886000  
1 1 1 6  18 14 f 65.15000 1.453000  -4.893000      2.906000  
1 1 1 6  18 16 o 181.0000 2.943000  -5.459000      5.887000  
1 1 1 6  18 18 o 102.6000 1.773000  0.9263000      3.545000  
1 1 1 6  18 20 o 138.0000 2.348000  -7.573000      4.695000  
1 1 1 6  18 22 o 116.0000 1.999000  4.964000       3.999000  
1 1 1 6  18 24 o 68.04000 1.344000  1.472000       2.688000  
1 1 1 6  18 26 o 29.94000 1.207000  -4.847000      2.413000  
1 1 1 6  18 28 o 42.28000 4.476000  -21.29000      8.952000  
1 1 1 6  18 30 o 42.74000 2.125000  -1.188000      4.250000  
1 1 1 6  18 32 o 30.44000 2.691000  -4.351000      5.383000  
1 1 1 6  18 34 o 39.92000 2.187000  -1.745000      4.374000  
1 1 1 6  18 36 o 25.37000 3.607000  3.109000       7.214000  
1 1 1 6  18 38 o 59.81000 2.714000  5.126000       5.427000  
1 1 1 6  18 40 o 18.24000 4.297000  2.464000       8.593000  
1 1 1 6  18 42 o 21.66000 3.184000  -12.72000      6.368000  
1 1 1 6  18 44 o 18.65000 3.923000  5.086000       7.847000  
1 1 1 6  18 46 o 9.390000 3.195000  5.727000       6.391000  
1 1 1 6  19 1  o 29.68000 1.110000  0.5939000      2.219000  
1 1 1 6  19 3  o 41.69000 0.9534000 -2.687000      1.907000  
1 1 1 6  19 5  o 41.99000 0.9503000 -3.249000      1.901000  
1 1 1 6  19 7  o 52.22000 1.167000  0.9022000      2.335000  
1 1 1 6  19 9  f 44.41000 1.163000  0.7183000      2.325000  
1 1 1 6  19 11 o 104.2000 1.577000  0.5540000E-01  3.155000  
1 1 1 6  19 13 o 45.09000 1.731000  0.3266000      3.463000  
1 1 1 6  19 15 o 59.87000 2.427000  1.133000       4.855000  
1 1 1 6  19 17 o 18.78000 2.457000  7.592000       4.914000  
1 1 1 6  19 19 o 43.61000 3.737000  -0.4743000     7.473000  
1 1 1 6  19 21 o 17.32000 1.943000  7.397000       3.886000  
1 1 1 6  19 23 o 37.31000 1.330000  -3.405000      2.661000  
1 1 1 6  19 25 o 35.77000 1.387000  -3.852000      2.775000  
1 1 1 6  19 27 o 59.74000 1.155000  -1.538000      2.311000  
1 1 1 6  19 29 o 28.52000 2.836000  -1.692000      5.671000  
1 1 1 6  19 31 o 36.02000 2.472000  -0.8443000     4.944000  
1 1 1 6  19 33 o 24.15000 3.211000  -0.5790000     6.423000  
1 1 1 6  19 35 o 17.39000 3.473000  1.529000       6.945000  
1 1 1 6  19 37 o 51.32000 1.716000  ?              ?         
1 1 1 6  19 39 o 41.70000 1.663000  ?              ?         
1 1 1 6  19 41 o 51.07000 2.979000  14.04000       5.959000  
1 1 1 6  19 43 o 11.75000 3.455000  2.547000       6.911000  
1 1 1 6  19 45 o 9.043000 3.063000  6.446000       6.126000  
1 1 1 6  19 47 o 16.27000 4.085000  ?              ?         
1 1 1 6  20 0  o 88.87000 1.758000  0.000000       0.000000  
1 1 1 6  20 2  o 73.38000 1.087000  -1.265000      2.175000  
1 1 1 6  20 4  o 85.53000 1.246000  -0.7350000     2.491000  
1 1 1 6  20 6  o 126.2000 1.818000  -3.622000      3.637000  
1 1 1 6  20 8  o 15.74000 2.663000  3.945000       5.326000  
1 1 1 6  20 10 o 129.8000 1.926000  -6.268000      3.852000  
1 1 1 6  20 12 o 43.85000 3.685000  11.73000       7.370000  
1 1 1 6  20 14 o 8.574000 2.984000  1.221000       5.968000  
1 1 1 6  20 16 o 27.17000 1.859000  2.061000       3.718000  
1 1 1 6  20 18 o 50.53000 1.295000  -0.9916000     2.591000  
1 1 1 6  20 20 o 72.42000 1.623000  -1.531000      3.246000  
1 1 1 6  20 22 o 29.74000 1.749000  0.8303000      3.497000  
1 1 1 6  20 24 o 81.21000 1.572000  -2.347000      3.144000  
1 1 1 6  20 26 f 55.51000 1.161000  -1.369000      2.321000  
1 1 1 6  20 28 o 31.04000 1.263000  -3.884000      2.527000  
1 1 1 6  20 30 o 64.77000 1.434000  1.678000       2.867000  
1 1 1 6  20 32 o 32.38000 2.968000  -7.002000      5.935000  
1 1 1 6  20 34 o 24.34000 3.651000  -3.827000      7.302000  
1 1 1 6  20 36 o 16.93000 3.144000  -5.734000      6.287000  
1 1 1 6  20 38 o 8.437000 4.153000  ?              ?         
1 1 1 6  20 40 o 20.74000 4.751000  7.996000       9.501000  
1 1 1 6  20 42 o 11.54000 3.710000  6.238000       7.419000  
1 1 1 6  20 44 o 21.57000 2.932000  3.810000       5.863000  
1 1 1 6  20 46 o 16.79000 2.859000  -1.884000      5.719000  
1 1 1 6  21 1  o 29.11000 1.504000  0.8592000      3.008000  
1 1 1 6  21 3  o 64.73000 1.123000  2.001000       2.246000  
1 1 1 6  21 5  o 31.86000 1.627000  -3.315000      3.255000  
1 1 1 6  21 7  o 99.29000 1.465000  2.671000       2.931000  
1 1 1 6  21 9  o 23.29000 2.764000  1.546000       5.528000  
1 1 1 6  21 11 o 110.4000 2.507000  6.950000       5.014000  
1 1 1 6  21 13 o 32.32000 2.251000  0.5885000      4.502000  
1 1 1 6  21 15 o 61.78000 1.631000  0.2151000      3.262000  
1 1 1 6  21 17 o 24.89000 1.711000  -0.9158000     3.422000  
1 1 1 6  21 19 f 66.73000 1.276000  4.810000       2.552000  
1 1 1 6  21 21 o 49.57000 1.237000  -4.291000      2.474000  
1 1 1 6  21 23 o 32.64000 1.653000  -5.690000      3.305000  
1 1 1 6  21 25 o 43.93000 1.475000  -5.821000      2.951000  
1 1 1 6  21 27 o 39.66000 1.188000  -3.423000      2.375000  
1 1 1 6  21 29 f 26.61000 1.543000  -1.990000      3.085000  
1 1 1 6  21 31 o 13.53000 1.142000  -4.664000      2.284000  
1 1 1 6  21 33 o 28.41000 3.504000  -4.995000      7.007000  
1 1 1 6  21 35 o 22.34000 2.977000  -4.880000      5.953000  
1 1 1 6  21 37 o 10.81000 3.318000  1.808000       6.636000  
1 1 1 6  21 39 o 57.82000 3.288000  9.353000       6.575000  
1 1 1 6  21 41 o 28.34000 2.550000  4.285000       5.101000  
1 1 1 6  21 43 o 16.19000 4.463000  4.184000       8.926000  
1 1 1 6  21 45 o 17.92000 2.391000  -0.3229000     4.782000  
1 1 1 6  22 0  o 118.8000 2.324000  0.000000       0.000000  
1 1 1 6  22 2  o 123.2000 1.703000  3.590000       3.406000  
1 1 1 6  22 4  o 35.58000 1.817000  2.944000       3.634000  
1 1 1 6  22 6  o 11.06000 3.332000  -1.518000      6.664000  
1 1 1 6  22 8  o 78.35000 1.703000  -1.105000      3.405000  
1 1 1 6  22 10 o 51.33000 1.923000  5.541000       3.847000  
1 1 1 6  22 12 o 64.76000 1.605000  1.318000       3.210000  
1 1 1 6  22 14 o 20.87000 2.991000  5.960000       5.982000  
1 1 1 6  22 16 o 33.03000 1.309000  -5.018000      2.619000  
1 1 1 6  22 18 o 76.12000 1.364000  1.786000       2.728000  
1 1 1 6  22 20 o 130.5000 1.913000  -5.251000      3.827000  
1 1 1 6  22 22 o 66.93000 1.307000  0.4524000      2.615000  
1 1 1 6  22 24 o 60.72000 1.266000  0.9636000      2.531000  
1 1 1 6  22 26 o 49.54000 1.231000  -1.141000      2.462000  
1 1 1 6  22 28 o 47.61000 1.219000  2.640000       2.438000  
1 1 1 6  22 30 o 23.21000 1.666000  1.647000       3.333000  
1 1 1 6  22 32 o 49.32000 0.9625000 -2.088000      1.925000  
1 1 1 6  22 34 o 46.10000 2.175000  -7.789000      4.350000  
1 1 1 6  22 36 o 20.76000 2.712000  9.623000       5.424000  
1 1 1 6  22 38 o 13.16000 3.972000  5.931000       7.944000  
1 1 1 6  22 40 o 29.63000 2.452000  4.994000       4.904000  
1 1 1 6  22 42 o 13.68000 3.786000  3.698000       7.572000  
1 1 1 6  22 44 o 11.31000 3.116000  -3.781000      6.232000  
1 1 1 6  23 1  o 9.323000 3.198000  1.920000       6.397000  
1 1 1 6  23 3  o 104.2000 1.691000  -6.773000      3.383000  
1 1 1 6  23 5  o 84.56000 2.970000  ?              ?         
1 1 1 6  23 7  o 8.567000 4.263000  ?              ?         
1 1 1 6  23 9  o 50.10000 1.864000  0.5723000      3.729000  
1 1 1 6  23 11 o 113.9000 2.727000  -6.192000      5.455000  
1 1 1 6  23 13 o 35.37000 1.517000  -2.785000      3.034000  
1 1 1 6  23 15 f 82.29000 1.316000  3.668000       2.632000  
1 1 1 6  23 17 o 53.07000 1.133000  -0.9809000     2.265000  
1 1 1 6  23 19 f 42.56000 1.292000  1.936000       2.584000  
1 1 1 6  23 21 o 71.23000 1.343000  -1.255000      2.685000  
1 1 1 6  23 23 o 32.95000 1.580000  -0.2966000     3.160000  
1 1 1 6  23 25 o 49.43000 1.255000  -0.5481000     2.510000  
1 1 1 6  23 27 o 39.12000 1.423000  5.897000       2.847000  
1 1 1 6  23 29 o 21.03000 2.187000  -6.521000      4.374000  
1 1 1 6  23 31 o 13.02000 2.940000  5.557000       5.880000  
1 1 1 6  23 33 o 48.13000 1.040000  -1.305000      2.079000  
1 1 1 6  23 35 o 57.77000 2.250000  0.9819000      4.500000  
1 1 1 6  23 37 o 43.50000 2.776000  0.7937000      5.552000  
1 1 1 6  23 39 o 15.15000 2.923000  -4.434000      5.846000  
1 1 1 6  23 41 o 19.00000 3.895000  1.381000       7.790000  
1 1 1 6  23 43 o 12.30000 3.443000  4.361000       6.887000  
1 1 1 6  24 2  o 31.89000 3.270000  -5.863000      6.541000  
1 1 1 6  24 4  o 102.9000 1.957000  -2.713000      3.913000  
1 1 1 6  24 6  o 18.39000 3.708000  4.765000       7.416000  
1 1 1 6  24 8  o 33.45000 2.512000  4.920000       5.024000  
1 1 1 6  24 10 o 53.52000 2.546000  8.467000       5.093000  
1 1 1 6  24 12 o 37.11000 1.473000  -0.8528000     2.945000  
1 1 1 6  24 14 o 31.10000 1.668000  0.8395000      3.337000  
1 1 1 6  24 16 o 83.11000 1.370000  1.106000       2.740000  
1 1 1 6  24 18 o 65.35000 1.212000  -0.5986000     2.425000  
1 1 1 6  24 20 o 11.81000 2.635000  4.077000       5.270000  
1 1 1 6  24 22 o 29.85000 1.494000  0.5036000      2.987000  
1 1 1 6  24 24 o 48.44000 1.418000  2.374000       2.836000  
1 1 1 6  24 26 o 68.87000 1.551000  0.4260000      3.103000  
1 1 1 6  24 28 o 41.33000 1.413000  -0.5001000E-01 2.825000  
1 1 1 6  24 30 o 23.80000 1.861000  2.510000       3.722000  
1 1 1 6  24 32 o 48.75000 1.129000  3.139000       2.258000  
1 1 1 6  24 34 o 64.27000 1.923000  -2.973000      3.846000  
1 1 1 6  24 36 o 12.23000 2.738000  0.2383000      5.477000  
1 1 1 6  24 38 o 29.78000 2.683000  -9.788000      5.365000  
1 1 1 6  24 40 o 16.11000 3.805000  1.415000       7.610000  
1 1 1 6  24 42 o 12.73000 3.357000  1.077000       6.714000  
1 1 1 6  24 44 o 10.09000 3.044000  0.7281000      6.088000  
1 1 1 6  25 1  o 75.80000 1.725000  -0.7641000     3.451000  
1 1 1 6  25 3  o 67.65000 1.675000  -1.460000      3.351000  
1 1 1 6  25 5  o 76.39000 1.619000  4.034000       3.239000  
1 1 1 6  25 7  o 80.03000 1.629000  7.951000       3.258000  
1 1 1 6  25 9  o 7.420000 2.495000  -0.3524000     4.990000  
1 1 1 6  25 11 o 41.76000 1.498000  -2.970000      2.996000  
1 1 1 6  25 13 o 25.44000 2.278000  1.719000       4.557000  
1 1 1 6  25 15 o 69.45000 1.258000  -0.8118000     2.515000  
1 1 1 6  25 17 o 81.08000 1.305000  2.906000       2.611000  
1 1 1 6  25 19 o 30.73000 1.611000  0.9397000      3.222000  
1 1 1 6  25 21 o 10.06000 2.773000  -0.7985000     5.547000  
1 1 1 6  25 23 o 17.07000 2.395000  1.818000       4.791000  
1 1 1 6  25 25 o 61.32000 1.443000  -1.387000      2.886000  
1 1 1 6  25 27 o 25.47000 1.973000  2.970000       3.947000  
1 1 1 6  25 29 o 18.83000 2.739000  -5.391000      5.479000  
1 1 1 6  25 31 o 12.42000 2.654000  -1.233000      5.308000  
1 1 1 6  25 33 o 25.05000 1.375000  1.625000       2.750000  
1 1 1 6  25 35 o 36.81000 1.339000  -3.690000      2.677000  
1 1 1 6  25 37 f 13.37000 3.831000  5.890000       7.663000  
1 1 1 6  25 39 o 22.32000 3.579000  -5.812000      7.159000  
1 1 1 6  25 41 o 14.04000 3.936000  4.869000       7.872000  
1 1 1 6  25 43 o 14.21000 2.901000  12.27000       5.802000  
1 1 1 6  26 0  o 77.11000 2.175000  0.000000       0.000000  
1 1 1 6  26 2  o 38.97000 2.820000  1.699000       5.641000  
1 1 1 6  26 4  o 14.40000 3.520000  -3.483000      7.041000  
1 1 1 6  26 6  o 53.79000 1.752000  7.519000       3.503000  
1 1 1 6  26 8  o 73.53000 1.428000  0.2638000      2.857000  
1 1 1 6  26 10 o 67.76000 1.363000  -1.016000      2.727000  
1 1 1 6  26 12 f 49.14000 1.476000  2.239000       2.952000  
1 1 1 6  26 14 o 70.08000 1.351000  1.164000       2.702000  
1 1 1 6  26 16 o 37.98000 1.539000  -2.454000      3.077000  
1 1 1 6  26 18 o 57.17000 1.273000  1.856000       2.547000  
1 1 1 6  26 20 o 33.94000 1.520000  1.663000       3.039000  
1 1 1 6  26 22 f 44.92000 1.285000  -0.4977000     2.571000  
1 1 1 6  26 24 o 15.71000 2.587000  7.176000       5.174000  
1 1 1 6  26 26 o 31.05000 3.239000  -5.645000      6.478000  
1 1 1 6  26 28 o 45.82000 1.670000  -6.749000      3.339000  
1 1 1 6  26 30 o 50.57000 1.645000  -4.429000      3.290000  
1 1 1 6  26 32 o 21.55000 3.389000  -12.43000      6.779000  
1 1 1 6  26 34 o 15.37000 1.870000  0.8875000      3.740000  
1 1 1 6  26 36 o 15.14000 3.949000  6.294000       7.898000  
1 1 1 6  26 38 o 17.15000 4.206000  2.563000       8.411000  
1 1 1 6  26 40 o 20.34000 3.282000  -4.936000      6.564000  
1 1 1 6  26 42 o 35.45000 2.408000  -6.102000      4.815000  
1 1 1 6  27 1  o 88.68000 1.749000  4.339000       3.498000  
1 1 1 6  27 3  o 60.27000 2.078000  -0.1085000     4.156000  
1 1 1 6  27 5  o 89.73000 1.765000  -0.4664000     3.530000  
1 1 1 6  27 7  o 78.00000 1.560000  1.163000       3.121000  
1 1 1 6  27 9  o 44.23000 2.036000  2.746000       4.073000  
1 1 1 6  27 11 o 32.15000 2.481000  -0.9214000     4.963000  
1 1 1 6  27 13 o 41.97000 1.909000  3.948000       3.819000  
1 1 1 6  27 15 o 43.02000 1.561000  3.693000       3.122000  
1 1 1 6  27 17 o 9.285000 2.804000  -1.573000      5.608000  
1 1 1 6  27 19 o 27.04000 2.007000  3.039000       4.014000  
1 1 1 6  27 21 o 44.20000 1.362000  0.6739000      2.724000  
1 1 1 6  27 23 o 50.20000 1.347000  1.543000       2.695000  
1 1 1 6  27 25 o 66.48000 1.304000  -0.3528000     2.607000  
1 1 1 6  27 27 o 37.67000 1.453000  ?              ?         
1 1 1 6  27 29 o 39.72000 1.850000  -3.296000      3.699000  
1 1 1 6  27 31 o 15.81000 2.672000  -11.69000      5.343000  
1 1 1 6  27 33 o 12.09000 2.639000  -3.617000      5.278000  
1 1 1 6  27 35 o 20.92000 1.270000  -7.431000      2.541000  
1 1 1 6  27 37 o 25.42000 1.111000  -4.720000      2.222000  
1 1 1 6  27 39 o 16.36000 3.921000  4.977000       7.843000  
1 1 1 6  27 41 o 20.13000 2.769000  6.276000       5.538000  
1 1 1 6  28 0  f 29.26000 3.625000  0.000000       0.000000  
1 1 1 6  28 2  o 27.24000 2.939000  -5.988000      5.878000  
1 1 1 6  28 4  o 29.83000 2.433000  -0.3683000     4.865000  
1 1 1 6  28 6  o 24.36000 3.493000  5.930000       6.986000  
1 1 1 6  28 8  o 73.63000 1.780000  -0.4362000E-01 3.560000  
1 1 1 6  28 10 o 40.99000 1.563000  1.337000       3.125000  
1 1 1 6  28 12 o 45.06000 2.025000  1.385000       4.050000  
1 1 1 6  28 14 o 52.22000 1.808000  0.1056000      3.616000  
1 1 1 6  28 16 o 30.81000 2.549000  2.902000       5.098000  
1 1 1 6  28 18 o 15.71000 3.730000  -0.7256000     7.459000  
1 1 1 6  28 20 o 41.91000 1.526000  -1.540000      3.053000  
1 1 1 6  28 22 o 20.93000 2.490000  -5.580000      4.981000  
1 1 1 6  28 24 o 21.42000 2.406000  1.292000       4.811000  
1 1 1 6  28 26 o 38.24000 2.397000  -2.002000      4.795000  
1 1 1 6  28 28 o 31.00000 2.396000  -6.664000      4.791000  
1 1 1 6  28 30 o 26.21000 4.225000  5.111000       8.449000  
1 1 1 6  28 32 o 11.58000 3.207000  10.95000       6.413000  
1 1 1 6  28 34 o 19.88000 3.185000  -3.939000      6.370000  
1 1 1 6  28 36 f 21.58000 1.289000  -4.724000      2.578000  
1 1 1 6  28 38 o 34.68000 1.039000  -6.517000      2.078000  
1 1 1 6  28 40 o 8.289000 2.640000  -0.2665000     5.280000  
1 1 1 6  29 1  o 43.78000 1.963000  0.7092000      3.926000  
1 1 1 6  29 3  o 75.32000 1.465000  -0.4395000     2.930000  
1 1 1 6  29 5  o 42.87000 1.841000  1.882000       3.682000  
1 1 1 6  29 7  o 95.76000 1.574000  0.2281000      3.147000  
1 1 1 6  29 9  o 39.08000 2.225000  -3.713000      4.449000  
1 1 1 6  29 11 o 23.01000 3.140000  0.2355000      6.281000  
1 1 1 6  29 13 o 66.07000 1.545000  1.566000       3.091000  
1 1 1 6  29 15 o 42.91000 1.716000  -0.7402000     3.431000  
1 1 1 6  29 17 o 30.43000 2.472000  4.707000       4.943000  
1 1 1 6  29 19 o 27.31000 3.097000  0.8074000      6.195000  
1 1 1 6  29 21 o 23.55000 3.385000  1.381000       6.769000  
1 1 1 6  29 23 o 33.22000 2.700000  0.4333000      5.399000  
1 1 1 6  29 25 o 28.51000 3.132000  -1.027000      6.265000  
1 1 1 6  29 27 o 12.35000 3.621000  2.726000       7.242000  
1 1 1 6  29 29 o 23.59000 4.518000  12.19000       9.035000  
1 1 1 6  29 31 o 20.71000 4.736000  13.47000       9.473000  
1 1 1 6  29 33 f 19.70000 3.273000  -3.277000      6.545000  
1 1 1 6  29 35 o 7.352000 2.413000  0.4272000      4.825000  
1 1 1 6  29 37 o 6.665000 1.986000  -1.343000      3.972000  
1 1 1 6  29 39 o 7.367000 2.167000  0.7173000      4.335000  
1 1 1 6  30 0  o 14.72000 5.541000  0.000000       0.000000  
1 1 1 6  30 2  o 80.76000 1.577000  -2.484000      3.153000  
1 1 1 6  30 4  o 48.34000 2.050000  -0.6461000E-01 4.100000  
1 1 1 6  30 6  o 18.66000 3.761000  -8.303000      7.521000  
1 1 1 6  30 8  o 19.56000 3.972000  -3.653000      7.944000  
1 1 1 6  30 10 o 51.31000 1.607000  -0.6236000     3.215000  
1 1 1 6  30 12 o 85.62000 1.487000  0.9461000      2.973000  
1 1 1 6  30 14 o 41.81000 1.697000  4.660000       3.394000  
1 1 1 6  30 16 o 36.99000 2.147000  6.170000       4.293000  
1 1 1 6  30 18 o 68.63000 1.486000  2.276000       2.971000  
1 1 1 6  30 20 o 41.96000 1.760000  -1.930000      3.521000  
1 1 1 6  30 22 o 41.27000 1.590000  0.7108000      3.179000  
1 1 1 6  30 24 o 15.16000 4.447000  -5.052000      8.893000  
1 1 1 6  30 26 o 15.12000 3.887000  4.233000       7.774000  
1 1 1 6  30 28 f 103.8000 3.104000  ?              ?         
1 1 1 6  30 30 o 8.442000 2.632000  0.5078000      5.264000  
1 1 1 6  30 32 o 26.32000 4.016000  5.151000       8.032000  
1 1 1 6  30 34 o 22.61000 5.131000  -11.33000      10.26000  
1 1 1 6  30 36 o 17.73000 2.931000  -1.044000      5.863000  
1 1 1 6  30 38 o 5.674000 1.694000  2.697000       3.388000  
1 1 1 6  31 1  o 15.06000 4.114000  1.068000       8.227000  
1 1 1 6  31 3  o 33.01000 2.481000  1.725000       4.963000  
1 1 1 6  31 5  o 21.11000 4.433000  -5.529000      8.865000  
1 1 1 6  31 7  o 30.66000 3.165000  -0.5923000     6.330000  
1 1 1 6  31 9  o 19.60000 3.909000  2.304000       7.819000  
1 1 1 6  31 11 o 13.43000 3.582000  -0.8906000     7.163000  
1 1 1 6  31 13 o 18.89000 3.366000  12.39000       6.731000  
1 1 1 6  31 15 f 17.36000 3.482000  -0.4274000     6.964000  
1 1 1 6  31 17 o 30.84000 2.182000  2.225000       4.364000  
1 1 1 6  31 19 o 43.54000 1.599000  -0.1155000     3.198000  
1 1 1 6  31 21 o 14.36000 3.571000  0.4946000E-02  7.141000  
1 1 1 6  31 23 o 24.56000 4.259000  4.255000       8.517000  
1 1 1 6  31 25 o 15.31000 4.088000  -0.7219000     8.175000  
1 1 1 6  31 27 o 57.07000 1.391000  -6.290000      2.783000  
1 1 1 6  31 29 o 9.757000 2.800000  2.573000       5.601000  
1 1 1 6  31 31 o 20.65000 3.187000  -5.185000      6.374000  
1 1 1 6  31 33 o 19.49000 4.017000  -10.71000      8.034000  
1 1 1 6  31 35 o 26.21000 3.589000  -2.397000      7.179000  
1 1 1 6  31 37 o 6.083000 2.053000  -0.8615000     4.106000  
1 1 1 6  32 0  o 33.77000 4.513000  0.000000       0.000000  
1 1 1 6  32 2  f 57.92000 1.737000  -0.7877000     3.473000  
1 1 1 6  32 4  o 60.08000 1.736000  -1.720000      3.472000  
1 1 1 6  32 6  o 18.15000 4.596000  3.370000       9.191000  
1 1 1 6  32 8  o 32.00000 2.691000  3.179000       5.383000  
1 1 1 6  32 10 o 33.27000 2.391000  0.7733000      4.781000  
1 1 1 6  32 12 o 44.70000 1.930000  -0.7264000E-01 3.860000  
1 1 1 6  32 14 o 50.86000 1.673000  2.983000       3.345000  
1 1 1 6  32 16 o 33.83000 2.255000  1.887000       4.511000  
1 1 1 6  32 18 o 19.27000 3.428000  -5.154000      6.856000  
1 1 1 6  32 20 o 29.56000 3.600000  -2.440000      7.199000  
1 1 1 6  32 22 o 22.29000 3.870000  3.887000       7.740000  
1 1 1 6  32 24 o 12.19000 5.545000  ?              ?         
1 1 1 6  32 26 o 10.83000 4.564000  ?              ?         
1 1 1 6  32 28 o 26.73000 3.129000  3.131000       6.257000  
1 1 1 6  32 30 o 11.98000 3.473000  6.196000       6.946000  
1 1 1 6  32 32 o 7.303000 2.376000  1.697000       4.752000  
1 1 1 6  32 34 o 16.66000 3.109000  1.367000       6.219000  
1 1 1 6  32 36 f 9.297000 2.864000  3.622000       5.728000  
1 1 1 6  33 1  o 31.58000 2.767000  1.295000       5.533000  
1 1 1 6  33 3  o 47.89000 2.797000  -3.017000      5.595000  
1 1 1 6  33 5  o 36.60000 3.280000  -1.966000      6.560000  
1 1 1 6  33 7  o 16.16000 4.247000  -2.457000      8.494000  
1 1 1 6  33 9  o 15.63000 4.147000  -3.785000      8.293000  
1 1 1 6  33 11 o 39.34000 2.156000  3.600000       4.311000  
1 1 1 6  33 13 o 50.69000 1.802000  4.668000       3.604000  
1 1 1 6  33 15 f 57.24000 1.912000  2.270000       3.823000  
1 1 1 6  33 17 o 13.39000 3.606000  -2.063000      7.212000  
1 1 1 6  33 19 o 13.09000 3.924000  -4.506000      7.848000  
1 1 1 6  33 21 o 15.78000 2.810000  9.942000       5.619000  
1 1 1 6  33 27 f 24.34000 3.181000  1.787000       6.361000  
1 1 1 6  33 29 o 20.14000 3.139000  -4.783000      6.278000  
1 1 1 6  33 31 o 23.12000 2.777000  -12.49000      5.554000  
1 1 1 6  33 33 o 12.46000 3.226000  3.239000       6.452000  
1 1 1 6  33 35 o 15.38000 3.248000  0.5052000      6.495000  
1 1 1 6  33 37 o 18.95000 4.491000  ?              ?         
1 1 1 6  34 0  o 44.84000 2.896000  0.000000       0.000000  
1 1 1 6  34 2  o 81.70000 1.708000  -1.220000      3.416000  
1 1 1 6  34 4  o 71.54000 1.740000  0.6397000      3.480000  
1 1 1 6  34 6  o 34.32000 2.772000  -0.1778000     5.545000  
1 1 1 6  34 8  o 41.78000 2.182000  0.6623000      4.364000  
1 1 1 6  34 10 o 46.88000 2.159000  -0.4752000     4.318000  
1 1 1 6  34 12 f 50.89000 1.902000  -2.864000      3.804000  
1 1 1 6  34 14 o 60.85000 1.942000  3.186000       3.883000  
1 1 1 6  34 16 o 17.99000 4.353000  2.282000       8.706000  
1 1 1 6  34 18 o 21.67000 3.646000  8.761000       7.292000  
1 1 1 6  34 20 o 6.784000 2.352000  -0.4850000     4.704000  
1 1 1 6  34 22 f 102.2000 2.871000  2.904000       5.743000  
1 1 1 6  34 24 o 8.505000 3.852000  ?              ?         
1 1 1 6  34 26 o 27.42000 3.007000  -2.439000      6.014000  
1 1 1 6  34 28 f 22.01000 2.995000  0.9716000      5.990000  
1 1 1 6  34 30 o 23.55000 3.400000  -6.241000      6.800000  
1 1 1 6  34 32 o 9.518000 2.990000  5.664000       5.980000  
1 1 1 6  34 34 o 6.024000 2.168000  3.203000       4.336000  
1 1 1 6  35 1  o 40.84000 2.747000  -0.6718000     5.494000  
1 1 1 6  35 3  o 58.34000 1.934000  -1.444000      3.869000  
1 1 1 6  35 5  o 35.39000 2.984000  6.194000       5.968000  
1 1 1 6  35 7  o 16.34000 4.358000  -3.685000      8.716000  
1 1 1 6  35 9  o 26.00000 3.957000  -1.795000      7.913000  
1 1 1 6  35 11 o 14.14000 4.031000  -0.2493000     8.062000  
1 1 1 6  35 13 o 24.37000 3.805000  -4.242000      7.609000  
1 1 1 6  35 15 o 17.35000 4.619000  -1.114000      9.238000  
1 1 1 6  35 17 o 10.01000 3.128000  2.303000       6.256000  
1 1 1 6  35 21 o 22.84000 2.855000  -4.961000      5.709000  
1 1 1 6  35 23 o 8.898000 2.598000  5.810000       5.197000  
1 1 1 6  35 25 o 33.07000 2.675000  2.661000       5.350000  
1 1 1 6  35 27 o 12.22000 3.525000  -4.535000      7.050000  
1 1 1 6  35 29 o 14.33000 3.518000  -4.513000      7.035000  
1 1 1 6  35 31 o 13.36000 3.032000  1.020000       6.064000  
1 1 1 6  35 33 o 6.209000 2.058000  2.082000       4.117000  
1 1 1 6  36 0  o 43.93000 3.106000  0.000000       0.000000  
1 1 1 6  36 2  o 29.26000 4.122000  1.678000       8.245000  
1 1 1 6  36 4  o 25.44000 4.724000  10.85000       9.448000  
1 1 1 6  36 6  f 47.26000 2.617000  0.8418000      5.235000  
1 1 1 6  36 8  o 15.85000 4.462000  -0.7433000     8.923000  
1 1 1 6  36 10 o 16.85000 4.534000  -0.6661000     9.068000  
1 1 1 6  36 12 o 24.10000 4.340000  5.349000       8.680000  
1 1 1 6  36 14 o 8.982000 2.913000  0.7269000E-01  5.826000  
1 1 1 6  36 18 o 74.40000 2.369000  -4.046000      4.737000  
1 1 1 6  36 20 f 6.165000 3.094000  ?              ?         
1 1 1 6  36 22 o 42.21000 2.567000  1.716000       5.134000  
1 1 1 6  36 24 o 14.52000 3.946000  -2.724000      7.893000  
1 1 1 6  36 26 o 26.79000 3.658000  4.969000       7.316000  
1 1 1 6  36 28 o 25.96000 2.770000  6.016000       5.540000  
1 1 1 6  36 30 o 11.68000 3.194000  2.325000       6.388000  
1 1 1 6  36 32 o 17.51000 2.137000  7.475000       4.274000  
1 1 1 6  37 1  o 30.43000 3.655000  -1.830000      7.311000  
1 1 1 6  37 3  o 13.56000 4.411000  -0.3972000     8.822000  
1 1 1 6  37 5  o 21.98000 4.509000  1.114000       9.018000  
1 1 1 6  37 7  f 35.57000 3.346000  -1.737000      6.693000  
1 1 1 6  37 9  o 15.33000 4.588000  -2.637000      9.176000  
1 1 1 6  37 11 o 19.72000 3.219000  8.237000       6.437000  
1 1 1 6  37 13 o 25.51000 3.697000  2.837000       7.394000  
1 1 1 6  37 15 o 42.39000 2.566000  -15.88000      5.132000  
1 1 1 6  37 17 o 8.160000 4.008000  ?              ?         
1 1 1 6  37 19 o 6.369000 2.170000  0.7842000      4.341000  
1 1 1 6  37 21 o 21.99000 3.715000  2.820000       7.431000  
1 1 1 6  37 23 o 12.72000 3.498000  -8.492000      6.995000  
1 1 1 6  37 25 o 13.53000 3.497000  3.089000       6.994000  
1 1 1 6  37 27 o 15.73000 3.538000  1.048000       7.076000  
1 1 1 6  37 29 o 11.96000 3.566000  4.281000       7.132000  
1 1 1 6  37 31 o 37.12000 1.308000  -1.917000      2.616000  
1 1 1 6  38 0  o 19.02000 7.300000  0.000000       0.000000  
1 1 1 6  38 2  o 13.82000 4.394000  1.788000       8.787000  
1 1 1 6  38 4  o 36.27000 3.833000  -3.649000      7.666000  
1 1 1 6  38 6  o 10.35000 3.351000  0.7105000      6.702000  
1 1 1 6  38 8  o 9.020000 3.047000  -1.265000      6.094000  
1 1 1 6  38 12 o 61.33000 1.744000  1.377000       3.487000  
1 1 1 6  38 14 o 7.172000 3.464000  ?              ?         
1 1 1 6  38 16 o 8.917000 2.602000  4.203000       5.204000  
1 1 1 6  38 18 o 14.24000 4.060000  2.368000       8.120000  
1 1 1 6  38 20 o 18.27000 4.200000  2.415000       8.399000  
1 1 1 6  38 22 o 13.21000 3.537000  -3.058000      7.074000  
1 1 1 6  38 24 o 19.56000 3.777000  5.637000       7.554000  
1 1 1 6  38 26 o 14.73000 3.966000  -7.241000      7.932000  
1 1 1 6  38 28 o 6.717000 2.265000  2.139000       4.530000  
1 1 1 6  38 30 o 17.91000 2.471000  -0.8225000     4.942000  
1 1 1 6  39 1  o 9.807000 4.868000  ?              ?         
1 1 1 6  39 3  o 10.36000 5.059000  ?              ?         
1 1 1 6  39 7  o 15.74000 4.204000  7.103000       8.407000  
1 1 1 6  39 9  o 57.61000 1.445000  7.645000       2.891000  
1 1 1 6  39 13 o 5.868000 2.047000  1.735000       4.094000  
1 1 1 6  39 15 o 31.46000 3.882000  6.160000       7.765000  
1 1 1 6  39 17 o 21.62000 4.363000  3.002000       8.726000  
1 1 1 6  39 19 o 21.24000 3.647000  -1.419000      7.293000  
1 1 1 6  39 21 o 25.57000 3.254000  0.5175000      6.508000  
1 1 1 6  39 23 o 13.91000 3.861000  -1.786000      7.722000  
1 1 1 6  39 25 o 10.98000 3.076000  -1.121000      6.151000  
1 1 1 6  39 27 o 8.746000 2.691000  3.938000       5.383000  
1 1 1 6  39 29 o 6.974000 2.276000  1.836000       4.551000  
1 1 1 6  40 0  o 55.92000 2.805000  0.000000       0.000000  
1 1 1 6  40 2  o 50.72000 2.170000  1.982000       4.339000  
1 1 1 6  40 4  o 13.18000 3.393000  -3.852000      6.786000  
1 1 1 6  40 10 o 10.89000 2.986000  5.124000       5.971000  
1 1 1 6  40 12 o 20.01000 4.968000  -3.138000      9.936000  
1 1 1 6  40 14 o 17.64000 4.597000  -0.2879000     9.194000  
1 1 1 6  40 16 o 12.86000 3.763000  1.342000       7.525000  
1 1 1 6  40 18 o 25.21000 3.596000  15.36000       7.193000  
1 1 1 6  40 20 o 12.68000 3.759000  1.137000       7.518000  
1 1 1 6  40 22 o 13.91000 4.014000  -3.037000      8.027000  
1 1 1 6  40 24 o 8.215000 2.661000  1.010000       5.322000  
1 1 1 6  40 26 f 27.35000 1.643000  -10.05000      3.287000  
1 1 1 6  41 1  o 9.458000 2.912000  0.6490000      5.825000  
1 1 1 6  41 3  o 8.221000 2.597000  -0.3705000E-01 5.194000  
1 1 1 6  41 5  o 14.17000 4.575000  2.245000       9.150000  
1 1 1 6  41 7  o 20.38000 5.382000  0.3244000      10.76000  
1 1 1 6  41 9  o 17.24000 4.884000  -5.344000      9.768000  
1 1 1 6  41 11 o 23.60000 4.735000  6.291000       9.469000  
1 1 1 6  41 13 o 20.87000 3.872000  -6.773000      7.744000  
1 1 1 6  41 15 o 21.71000 4.399000  1.104000       8.798000  
1 1 1 6  41 17 o 10.76000 3.458000  -2.935000      6.915000  
1 1 1 6  41 19 o 15.31000 4.039000  -2.048000      8.078000  
1 1 1 6  41 21 o 15.39000 3.289000  5.170000       6.578000  
1 1 1 6  41 23 o 10.20000 2.945000  6.466000       5.890000  
1 1 1 6  41 25 o 21.02000 2.341000  -3.605000      4.683000  
1 1 1 6  42 0  o 39.83000 4.800000  0.000000       0.000000  
1 1 1 6  42 2  o 20.97000 5.344000  5.920000       10.69000  
1 1 1 6  42 4  o 15.94000 4.721000  -5.102000      9.443000  
1 1 1 6  42 6  o 16.77000 4.952000  -4.077000      9.904000  
1 1 1 6  42 8  o 17.08000 4.108000  -0.9756000     8.217000  
1 1 1 6  42 10 o 47.68000 4.533000  22.87000       9.067000  
1 1 1 6  42 12 o 41.91000 2.736000  0.3846000      5.473000  
1 1 1 6  42 14 o 17.93000 3.804000  -3.747000      7.608000  
1 1 1 6  42 16 o 24.79000 4.640000  1.436000       9.280000  
1 1 1 6  42 18 o 14.69000 4.412000  2.542000       8.824000  
1 1 1 6  42 20 o 7.701000 2.647000  2.530000       5.295000  
1 1 1 6  42 22 o 17.63000 2.373000  -10.26000      4.746000  
1 1 1 6  42 24 o 10.32000 2.884000  5.028000       5.767000  
1 1 1 6  43 1  o 13.74000 4.143000  0.5176000E-01  8.287000  
1 1 1 6  43 3  o 16.29000 4.494000  -2.633000      8.988000  
1 1 1 6  43 5  o 17.64000 4.520000  -7.948000      9.039000  
1 1 1 6  43 7  o 12.22000 3.824000  -4.554000      7.648000  
1 1 1 6  43 9  o 11.09000 3.582000  -3.871000      7.164000  
1 1 1 6  43 11 o 12.41000 3.774000  3.675000       7.548000  
1 1 1 6  43 13 o 25.52000 3.538000  1.123000       7.076000  
1 1 1 6  43 15 o 13.55000 4.061000  -1.396000      8.123000  
1 1 1 6  43 17 o 9.994000 3.289000  -1.701000      6.579000  
1 1 1 6  43 19 o 7.572000 2.617000  -0.5075000     5.234000  
1 1 1 6  43 21 f 9.313000 2.805000  5.027000       5.610000  
1 1 1 6  44 0  o 14.38000 6.338000  0.000000       0.000000  
1 1 1 6  44 2  o 16.23000 4.747000  -0.7372000     9.494000  
1 1 1 6  44 4  o 15.76000 4.470000  0.8209000      8.940000  
1 1 1 6  44 6  o 22.78000 4.770000  3.555000       9.541000  
1 1 1 6  44 8  o 23.87000 4.563000  -1.409000      9.126000  
1 1 1 6  44 10 o 12.11000 3.805000  -1.318000      7.611000  
1 1 1 6  44 12 o 8.694000 2.800000  -0.7034000     5.600000  
1 1 1 6  44 14 o 6.734000 2.333000  1.339000       4.666000  
1 1 1 6  44 16 o 8.177000 3.947000  ?              ?         
1 1 1 6  44 18 o 18.97000 2.612000  8.825000       5.224000  
1 1 1 6  45 1  o 16.30000 4.824000  0.2185000      9.649000  
1 1 1 6  45 3  f 17.80000 4.622000  -3.798000      9.244000  
1 1 1 6  45 5  o 8.898000 2.787000  0.2840000      5.574000  
1 1 1 6  45 7  o 9.744000 2.950000  4.185000       5.899000  
1 1 1 6  45 9  o 7.484000 2.490000  2.162000       4.980000  
1 1 1 6  45 11 o 7.463000 2.526000  0.6836000      5.051000  
1 1 1 6  45 13 o 8.207000 2.604000  -4.074000      5.207000  
1 1 1 6  45 15 f 19.04000 2.525000  6.565000       5.049000  
1 1 1 6  45 17 o 11.73000 4.569000  ?              ?         
1 1 1 6  46 0  f 9.236000 4.112000  0.000000       0.000000  
1 1 1 6  46 2  o 7.504000 2.510000  -1.535000      5.020000  
1 1 1 6  46 4  o 6.288000 2.210000  0.4837000      4.420000  
1 1 1 6  46 6  o 6.947000 2.398000  -0.8657000     4.796000  
1 1 1 6  46 8  o 4.974000 1.757000  0.7460000E-01  3.514000  
1 1 1 6  46 10 o 43.04000 1.460000  5.407000       2.920000  
1 1 1 6  46 12 o 6.928000 2.284000  2.086000       4.568000  
1 1 1 6  47 1  o 38.64000 1.239000  1.146000       2.479000  
1 1 1 6  47 3  o 41.73000 1.276000  7.275000       2.552000  
1 1 1 6  47 5  f 20.55000 2.579000  11.66000       5.158000  
1 1 1 6  47 7  o 6.981000 2.350000  -1.137000      4.700000  
1 1 1 7  0  1  f 27.11000 0.5877000 0.000000       0.000000  
1 1 1 7  0  3  o 138.3000 2.494000  0.000000       0.000000  
1 1 1 7  0  5  o 124.7000 2.250000  0.000000       0.000000  
1 1 1 7  0  7  o 80.66000 1.470000  0.000000       0.000000  
1 1 1 7  0  9  o 56.69000 1.057000  0.000000       0.000000  
1 1 1 7  0  11 o 44.56000 0.9980000 0.000000       0.000000  
1 1 1 7  0  13 o 95.04000 1.737000  0.000000       0.000000  
1 1 1 7  0  15 f 26.17000 0.9861000 0.000000       0.000000  
1 1 1 7  0  17 o 198.2000 3.600000  0.000000       0.000000  
1 1 1 7  0  19 f 83.45000 1.562000  0.000000       0.000000  
1 1 1 7  0  21 o 43.96000 1.026000  0.000000       0.000000  
1 1 1 7  0  23 o 36.66000 1.312000  0.000000       0.000000  
1 1 1 7  0  25 o 95.96000 1.890000  0.000000       0.000000  
1 1 1 7  0  27 f 8.591000 3.070000  0.000000       0.000000  
1 1 1 7  0  29 o 13.17000 2.446000  0.000000       0.000000  
1 1 1 7  0  31 f 48.18000 1.418000  0.000000       0.000000  
1 1 1 7  0  33 o 8.701000 3.091000  0.000000       0.000000  
1 1 1 7  0  35 o 51.08000 1.531000  0.000000       0.000000  
1 1 1 7  0  37 o 76.25000 1.824000  0.000000       0.000000  
1 1 1 7  0  39 o 9.632000 3.400000  0.000000       0.000000  
1 1 1 7  0  41 o 12.60000 4.124000  0.000000       0.000000  
1 1 1 7  0  45 o 11.77000 4.748000  0.000000       0.000000  
1 1 1 7  0  47 o 24.93000 2.435000  0.000000       0.000000  
1 1 1 7  0  49 o 19.29000 2.351000  0.000000       0.000000  
1 1 1 7  1  0  o 28.86000 0.6091000 0.000000       0.000000  
1 1 1 7  1  2  o 100.5000 1.284000  0.3041000      2.569000  
1 1 1 7  1  4  o 111.0000 1.418000  -0.1046000     2.836000  
1 1 1 7  1  6  o 89.89000 1.194000  -1.389000      2.389000  
1 1 1 7  1  8  o 91.87000 1.364000  0.7388000      2.728000  
1 1 1 7  1  10 o 97.47000 1.472000  -2.611000      2.945000  
1 1 1 7  1  12 o 57.58000 0.9412000 -0.1009000     1.882000  
1 1 1 7  1  14 o 60.25000 0.8703000 -0.2099000     1.741000  
1 1 1 7  1  16 o 37.64000 0.8079000 2.906000       1.616000  
1 1 1 7  1  18 o 79.47000 1.046000  -0.2032000     2.092000  
1 1 1 7  1  20 o 24.40000 0.7026000 -0.8941000     1.405000  
1 1 1 7  1  22 o 148.2000 2.060000  6.000000       4.120000  
1 1 1 7  1  24 o 44.03000 1.083000  1.502000       2.166000  
1 1 1 7  1  26 o 41.38000 1.112000  1.200000       2.224000  
1 1 1 7  1  28 o 35.84000 0.9150000 -1.147000      1.830000  
1 1 1 7  1  30 o 93.15000 1.289000  2.544000       2.577000  
1 1 1 7  1  32 o 10.34000 2.100000  -0.6791000     4.200000  
1 1 1 7  1  34 o 40.28000 0.9466000 0.5648000      1.893000  
1 1 1 7  1  36 o 13.66000 1.889000  -0.4176000     3.778000  
1 1 1 7  1  38 o 49.23000 1.032000  -0.6041000     2.063000  
1 1 1 7  1  40 o 52.52000 1.337000  -0.6208000     2.675000  
1 1 1 7  1  42 o 9.598000 2.749000  6.462000       5.497000  
1 1 1 7  1  44 o 12.17000 2.324000  0.7263000      4.647000  
1 1 1 7  1  46 f 45.84000 1.445000  -0.7042000     2.890000  
1 1 1 7  1  48 o 17.95000 2.655000  2.101000       5.311000  
1 1 1 7  1  50 o 36.79000 1.148000  -3.529000      2.297000  
1 1 1 7  2  1  o 189.5000 2.412000  -0.9416000     4.824000  
1 1 1 7  2  3  f 109.7000 1.404000  0.2496000E-01  2.807000  
1 1 1 7  2  5  o 138.2000 1.820000  0.8018000      3.640000  
1 1 1 7  2  7  o 101.9000 1.305000  -0.6819000     2.610000  
1 1 1 7  2  9  o 56.44000 0.8065000 1.343000       1.613000  
1 1 1 7  2  11 o 44.08000 0.7575000 0.2752000      1.515000  
1 1 1 7  2  13 o 28.07000 0.5948000 -1.816000      1.190000  
1 1 1 7  2  15 o 31.40000 0.7680000 -3.272000      1.536000  
1 1 1 7  2  17 f 99.49000 1.393000  1.430000       2.785000  
1 1 1 7  2  19 o 162.7000 2.081000  0.9639000      4.162000  
1 1 1 7  2  21 o 145.9000 2.170000  1.875000       4.341000  
1 1 1 7  2  23 o 81.58000 1.301000  4.932000       2.603000  
1 1 1 7  2  25 o 96.50000 1.434000  0.9206000      2.868000  
1 1 1 7  2  27 o 112.6000 1.604000  -4.384000      3.208000  
1 1 1 7  2  29 o 37.08000 0.8939000 0.2166000      1.788000  
1 1 1 7  2  31 o 10.22000 2.072000  -0.5371000     4.145000  
1 1 1 7  2  33 o 43.47000 0.8958000 1.951000       1.792000  
1 1 1 7  2  35 o 61.33000 1.120000  0.6262000      2.239000  
1 1 1 7  2  37 o 24.89000 1.253000  -1.620000      2.506000  
1 1 1 7  2  39 o 41.55000 1.025000  -1.278000      2.050000  
1 1 1 7  2  41 o 30.20000 1.185000  1.925000       2.370000  
1 1 1 7  2  43 o 7.854000 3.662000  ?              ?         
1 1 1 7  2  45 o 8.944000 2.439000  -0.3715000E-01 4.878000  
1 1 1 7  2  47 o 10.97000 2.919000  -0.8734000     5.838000  
1 1 1 7  2  49 o 26.55000 2.136000  -3.292000      4.272000  
1 1 1 7  3  0  o 78.98000 1.438000  0.000000       0.000000  
1 1 1 7  3  2  o 112.8000 1.497000  -3.936000      2.995000  
1 1 1 7  3  4  f 148.8000 1.897000  -2.906000      3.794000  
1 1 1 7  3  6  o 131.9000 1.683000  -2.180000      3.366000  
1 1 1 7  3  8  o 91.08000 1.260000  -2.761000      2.521000  
1 1 1 7  3  10 o 72.64000 1.022000  1.740000       2.044000  
1 1 1 7  3  12 o 89.76000 1.338000  -2.344000      2.677000  
1 1 1 7  3  14 o 83.21000 1.771000  -0.1238000     3.542000  
1 1 1 7  3  16 o 46.64000 0.8551000 -2.808000      1.710000  
1 1 1 7  3  18 o 67.37000 1.128000  3.991000       2.256000  
1 1 1 7  3  20 o 65.39000 1.026000  -0.3382000     2.052000  
1 1 1 7  3  22 o 83.38000 1.227000  1.937000       2.454000  
1 1 1 7  3  24 o 69.43000 1.237000  1.653000       2.474000  
1 1 1 7  3  26 o 36.55000 1.082000  3.954000       2.163000  
1 1 1 7  3  28 o 20.54000 1.119000  2.929000       2.238000  
1 1 1 7  3  30 o 50.99000 0.9075000 0.1907000      1.815000  
1 1 1 7  3  32 o 36.18000 0.8628000 -0.4361000     1.726000  
1 1 1 7  3  34 o 39.61000 0.8753000 1.401000       1.751000  
1 1 1 7  3  36 o 7.317000 2.062000  0.2965000      4.124000  
1 1 1 7  3  38 o 19.85000 1.277000  -1.923000      2.554000  
1 1 1 7  3  40 o 10.55000 2.075000  4.518000       4.151000  
1 1 1 7  3  42 f 27.18000 1.618000  1.476000       3.236000  
1 1 1 7  3  44 o 24.18000 1.520000  0.2168000      3.039000  
1 1 1 7  3  46 o 35.57000 1.436000  1.884000       2.873000  
1 1 1 7  3  48 o 7.749000 2.196000  0.3675000      4.391000  
1 1 1 7  3  50 o 27.33000 2.192000  -5.277000      4.384000  
1 1 1 7  4  1  f 123.7000 1.630000  0.7151000      3.259000  
1 1 1 7  4  3  o 102.3000 1.309000  -1.863000      2.619000  
1 1 1 7  4  5  f 165.2000 2.105000  -2.938000      4.210000  
1 1 1 7  4  7  o 67.72000 0.8848000 0.3356000      1.770000  
1 1 1 7  4  9  o 76.44000 1.072000  -2.547000      2.145000  
1 1 1 7  4  11 o 57.71000 0.9327000 1.619000       1.865000  
1 1 1 7  4  13 o 42.54000 0.7155000 -0.8125000E-03 1.431000  
1 1 1 7  4  15 f 94.51000 1.466000  1.306000       2.932000  
1 1 1 7  4  17 o 108.0000 2.224000  0.1278000      4.447000  
1 1 1 7  4  19 o 90.84000 1.238000  -3.535000      2.477000  
1 1 1 7  4  21 o 40.23000 0.8409000 -0.9626000     1.682000  
1 1 1 7  4  23 o 78.04000 1.279000  -1.909000      2.559000  
1 1 1 7  4  25 o 63.12000 1.261000  -1.028000      2.521000  
1 1 1 7  4  27 o 34.56000 0.8182000 -1.825000      1.636000  
1 1 1 7  4  29 o 53.95000 0.9288000 2.764000       1.858000  
1 1 1 7  4  31 o 14.15000 1.371000  -2.578000      2.742000  
1 1 1 7  4  33 o 34.46000 0.8403000 0.4302000      1.681000  
1 1 1 7  4  35 o 58.04000 0.9949000 2.453000       1.990000  
1 1 1 7  4  37 o 62.51000 1.058000  0.6399000      2.117000  
1 1 1 7  4  39 o 31.39000 0.9414000 2.136000       1.883000  
1 1 1 7  4  41 o 10.44000 2.190000  2.572000       4.379000  
1 1 1 7  4  43 o 45.25000 2.836000  -4.324000      5.671000  
1 1 1 7  4  45 o 58.45000 1.068000  -0.8141000     2.135000  
1 1 1 7  4  47 o 48.46000 1.092000  -0.9979000     2.185000  
1 1 1 7  4  49 o 11.04000 2.213000  -3.738000      4.427000  
1 1 1 7  5  0  o 50.76000 0.9655000 0.000000       0.000000  
1 1 1 7  5  2  o 129.2000 1.704000  0.6956000      3.409000  
1 1 1 7  5  4  o 7.046000 0.9805000 0.4747000E-01  1.961000  
1 1 1 7  5  6  o 44.02000 0.6120000 -0.6886000     1.224000  
1 1 1 7  5  8  o 74.88000 1.051000  -0.5560000     2.101000  
1 1 1 7  5  10 o 54.36000 0.8970000 1.905000       1.794000  
1 1 1 7  5  12 o 100.6000 1.576000  4.237000       3.152000  
1 1 1 7  5  14 o 156.2000 2.064000  0.3570000      4.128000  
1 1 1 7  5  16 o 70.95000 1.526000  -1.028000      3.052000  
1 1 1 7  5  18 o 124.9000 1.988000  -1.810000      3.977000  
1 1 1 7  5  20 o 97.85000 1.695000  3.039000       3.389000  
1 1 1 7  5  22 o 109.5000 1.785000  3.216000       3.569000  
1 1 1 7  5  24 o 57.22000 1.419000  2.813000       2.837000  
1 1 1 7  5  26 o 56.77000 1.157000  -1.820000      2.314000  
1 1 1 7  5  28 o 78.23000 1.107000  0.1822000      2.214000  
1 1 1 7  5  30 o 44.39000 0.8003000 -0.4686000     1.601000  
1 1 1 7  5  32 o 34.93000 0.7738000 0.9222000      1.548000  
1 1 1 7  5  34 o 92.61000 1.274000  -1.774000      2.549000  
1 1 1 7  5  36 o 51.10000 1.100000  -1.823000      2.200000  
1 1 1 7  5  38 o 46.56000 0.9862000 -0.9515000     1.972000  
1 1 1 7  5  40 o 66.20000 1.202000  1.345000       2.404000  
1 1 1 7  5  42 o 43.75000 1.914000  4.044000       3.829000  
1 1 1 7  5  44 o 31.13000 1.139000  3.825000       2.279000  
1 1 1 7  5  46 o 34.23000 1.007000  1.214000       2.014000  
1 1 1 7  5  48 f 42.35000 1.009000  4.413000       2.019000  
1 1 1 7  5  50 o 18.79000 1.654000  4.650000       3.308000  
1 1 1 7  6  1  o 63.31000 0.8329000 0.1945000      1.666000  
1 1 1 7  6  3  o 70.46000 0.9514000 0.1703000      1.903000  
1 1 1 7  6  5  o 14.09000 0.6123000 -0.5999000E-01 1.225000  
1 1 1 7  6  7  o 69.81000 0.9868000 0.2052000      1.974000  
1 1 1 7  6  9  o 102.5000 1.620000  -1.109000      3.239000  
1 1 1 7  6  11 o 61.48000 1.020000  -1.294000      2.041000  
1 1 1 7  6  13 o 41.98000 0.6934000 2.340000       1.387000  
1 1 1 7  6  15 o 73.70000 1.313000  1.274000       2.625000  
1 1 1 7  6  17 o 38.49000 1.105000  -3.560000      2.210000  
1 1 1 7  6  19 o 66.44000 1.483000  0.8746000      2.967000  
1 1 1 7  6  21 o 43.65000 0.8882000 0.3734000      1.776000  
1 1 1 7  6  23 o 75.20000 1.504000  1.384000       3.008000  
1 1 1 7  6  25 o 116.7000 2.029000  2.552000       4.057000  
1 1 1 7  6  27 o 94.30000 1.509000  -3.109000      3.018000  
1 1 1 7  6  29 o 47.95000 1.049000  -1.423000      2.099000  
1 1 1 7  6  31 o 33.64000 1.022000  -2.176000      2.043000  
1 1 1 7  6  33 o 77.24000 1.338000  1.101000       2.676000  
1 1 1 7  6  35 o 68.26000 1.490000  0.7660000      2.980000  
1 1 1 7  6  37 o 48.55000 0.9508000 -1.928000      1.902000  
1 1 1 7  6  39 o 47.63000 1.070000  1.751000       2.140000  
1 1 1 7  6  41 o 33.40000 1.118000  3.502000       2.236000  
1 1 1 7  6  43 o 18.24000 1.811000  6.427000       3.622000  
1 1 1 7  6  45 o 12.99000 2.509000  -1.041000      5.017000  
1 1 1 7  6  47 o 45.04000 1.089000  3.678000       2.178000  
1 1 1 7  6  49 o 18.57000 1.411000  6.706000       2.823000  
1 1 1 7  7  0  o 190.2000 3.426000  0.000000       0.000000  
1 1 1 7  7  2  o 118.0000 1.513000  0.2309000      3.027000  
1 1 1 7  7  4  o 62.21000 0.9732000 -0.9757000     1.946000  
1 1 1 7  7  6  o 83.97000 1.334000  -0.9155000E-04 2.668000  
1 1 1 7  7  8  o 43.42000 1.036000  -0.9028000     2.071000  
1 1 1 7  7  10 o 60.22000 1.259000  2.168000       2.518000  
1 1 1 7  7  12 o 38.15000 1.091000  -1.256000      2.182000  
1 1 1 7  7  14 o 133.3000 1.989000  4.874000       3.978000  
1 1 1 7  7  16 o 126.9000 2.606000  5.470000       5.213000  
1 1 1 7  7  18 f 144.8000 2.977000  10.65000       5.954000  
1 1 1 7  7  20 o 42.68000 0.9659000 0.4882000      1.932000  
1 1 1 7  7  22 o 111.9000 2.134000  2.353000       4.267000  
1 1 1 7  7  24 o 47.45000 1.359000  5.678000       2.717000  
1 1 1 7  7  26 o 62.75000 1.185000  -2.157000      2.370000  
1 1 1 7  7  28 o 19.97000 1.209000  -1.948000      2.417000  
1 1 1 7  7  30 o 13.09000 1.765000  0.2968000      3.531000  
1 1 1 7  7  32 f 14.76000 1.644000  0.1973000      3.288000  
1 1 1 7  7  34 o 44.67000 1.122000  0.1622000      2.244000  
1 1 1 7  7  36 o 29.89000 1.441000  0.8006000      2.882000  
1 1 1 7  7  38 o 26.60000 1.204000  -1.099000      2.407000  
1 1 1 7  7  40 o 54.53000 1.212000  -3.280000      2.425000  
1 1 1 7  7  42 o 50.33000 2.132000  ?              ?         
1 1 1 7  7  44 o 39.36000 1.606000  0.1251000      3.211000  
1 1 1 7  7  46 o 14.02000 2.507000  2.440000       5.014000  
1 1 1 7  7  48 o 16.76000 2.524000  5.653000       5.049000  
1 1 1 7  7  50 o 10.46000 3.109000  1.545000       6.217000  
1 1 1 7  8  1  o 26.82000 0.6663000 0.1412000E-01  1.333000  
1 1 1 7  8  3  o 30.71000 0.7185000 -1.933000      1.437000  
1 1 1 7  8  5  o 71.50000 1.219000  0.1770000E-01  2.439000  
1 1 1 7  8  7  o 25.83000 0.7288000 -0.3513000     1.458000  
1 1 1 7  8  9  o 65.81000 1.029000  -1.595000      2.058000  
1 1 1 7  8  11 o 70.04000 1.018000  3.272000       2.036000  
1 1 1 7  8  13 o 60.13000 1.018000  0.6117000      2.036000  
1 1 1 7  8  15 o 29.92000 0.6940000 2.258000       1.388000  
1 1 1 7  8  17 o 126.8000 1.784000  5.874000       3.567000  
1 1 1 7  8  19 o 44.71000 1.031000  -0.5741000     2.062000  
1 1 1 7  8  21 o 92.50000 1.484000  1.677000       2.968000  
1 1 1 7  8  23 o 56.52000 1.306000  -2.414000      2.612000  
1 1 1 7  8  25 o 54.29000 1.476000  -4.329000      2.952000  
1 1 1 7  8  27 o 107.8000 1.851000  -4.845000      3.703000  
1 1 1 7  8  29 o 60.73000 1.149000  2.227000       2.299000  
1 1 1 7  8  31 o 55.80000 1.176000  -3.821000      2.351000  
1 1 1 7  8  33 o 23.66000 1.133000  -1.091000      2.266000  
1 1 1 7  8  35 o 37.07000 1.279000  -0.2817000     2.558000  
1 1 1 7  8  37 o 14.17000 1.949000  2.594000       3.897000  
1 1 1 7  8  39 o 43.55000 1.142000  0.4252000      2.284000  
1 1 1 7  8  41 o 28.35000 1.738000  -1.842000      3.476000  
1 1 1 7  8  43 o 11.32000 2.424000  5.462000       4.848000  
1 1 1 7  8  45 o 20.26000 2.121000  0.8537000      4.241000  
1 1 1 7  8  47 o 21.93000 1.947000  0.8361000      3.894000  
1 1 1 7  8  49 o 12.19000 3.095000  0.7700000E-01  6.190000  
1 1 1 7  9  0  o 48.57000 1.164000  0.000000       0.000000  
1 1 1 7  9  2  o 77.68000 1.318000  -2.310000      2.637000  
1 1 1 7  9  4  o 45.02000 0.7315000 0.9146000      1.463000  
1 1 1 7  9  6  o 67.67000 1.176000  1.350000       2.352000  
1 1 1 7  9  8  f 55.60000 0.9260000 -1.173000      1.852000  
1 1 1 7  9  10 o 69.43000 1.146000  1.214000       2.292000  
1 1 1 7  9  12 o 25.69000 0.7022000 0.3954000E-01  1.404000  
1 1 1 7  9  14 o 50.75000 0.8283000 2.843000       1.657000  
1 1 1 7  9  16 o 95.93000 1.368000  1.661000       2.736000  
1 1 1 7  9  18 o 36.17000 0.8248000 -2.383000      1.650000  
1 1 1 7  9  20 o 109.8000 1.690000  2.554000       3.379000  
1 1 1 7  9  22 o 16.01000 1.693000  0.9385000E-01  3.386000  
1 1 1 7  9  24 o 42.96000 1.277000  3.098000       2.553000  
1 1 1 7  9  26 o 33.75000 1.128000  0.1408000      2.257000  
1 1 1 7  9  28 o 49.51000 1.037000  1.683000       2.073000  
1 1 1 7  9  30 o 31.08000 1.117000  4.626000       2.233000  
1 1 1 7  9  32 o 40.85000 1.053000  -5.097000      2.106000  
1 1 1 7  9  34 o 65.83000 1.370000  1.153000       2.741000  
1 1 1 7  9  36 o 58.02000 1.168000  -3.913000      2.336000  
1 1 1 7  9  38 o 13.06000 2.044000  -2.920000      4.088000  
1 1 1 7  9  40 f 43.70000 1.294000  1.344000       2.588000  
1 1 1 7  9  42 f 27.37000 4.247000  -0.9284000E-01 8.494000  
1 1 1 7  9  44 o 36.72000 1.519000  4.210000       3.037000  
1 1 1 7  9  46 o 9.083000 2.600000  -4.406000      5.200000  
1 1 1 7  9  48 o 39.21000 1.783000  -0.4556000     3.566000  
1 1 1 7  10 1  o 64.15000 1.117000  -1.101000      2.234000  
1 1 1 7  10 3  f 54.17000 0.8832000 -1.831000      1.766000  
1 1 1 7  10 5  o 60.50000 1.067000  2.245000       2.135000  
1 1 1 7  10 7  o 21.18000 0.8055000 -0.4638000     1.611000  
1 1 1 7  10 9  o 61.38000 0.9316000 -1.087000      1.863000  
1 1 1 7  10 11 o 83.22000 1.440000  0.6585000      2.881000  
1 1 1 7  10 13 o 52.63000 0.8483000 0.7403000      1.697000  
1 1 1 7  10 15 o 72.15000 1.077000  1.442000       2.154000  
1 1 1 7  10 17 o 104.5000 1.377000  -0.9048000E-02 2.755000  
1 1 1 7  10 19 o 137.1000 1.926000  1.652000       3.853000  
1 1 1 7  10 21 o 85.11000 1.462000  -3.976000      2.923000  
1 1 1 7  10 23 o 42.99000 1.198000  0.6115000      2.396000  
1 1 1 7  10 25 o 28.01000 0.9904000 -3.205000      1.981000  
1 1 1 7  10 27 o 95.25000 1.524000  -1.999000      3.048000  
1 1 1 7  10 29 o 52.46000 1.134000  -1.290000      2.268000  
1 1 1 7  10 31 o 29.20000 1.087000  1.757000       2.174000  
1 1 1 7  10 33 o 35.91000 1.182000  0.3320000      2.365000  
1 1 1 7  10 35 o 53.45000 1.103000  -0.8840000     2.205000  
1 1 1 7  10 37 o 37.36000 1.130000  2.104000       2.260000  
1 1 1 7  10 39 o 22.48000 1.523000  6.480000       3.046000  
1 1 1 7  10 41 f 36.98000 1.554000  1.387000       3.107000  
1 1 1 7  10 43 o 40.36000 1.400000  -5.421000      2.799000  
1 1 1 7  10 45 o 23.93000 1.855000  1.325000       3.710000  
1 1 1 7  10 47 o 12.69000 2.724000  -3.200000      5.448000  
1 1 1 7  10 49 o 40.55000 2.109000  ?              ?         
1 1 1 7  11 0  o 61.77000 1.682000  0.000000       0.000000  
1 1 1 7  11 2  o 37.16000 0.8665000 -1.344000      1.733000  
1 1 1 7  11 4  o 36.45000 1.024000  3.041000       2.049000  
1 1 1 7  11 6  o 76.57000 1.111000  -0.5285000     2.221000  
1 1 1 7  11 8  f 111.2000 1.557000  2.301000       3.113000  
1 1 1 7  11 10 o 70.17000 1.261000  -5.822000      2.521000  
1 1 1 7  11 12 o 42.96000 0.7568000 -0.7132000E-01 1.514000  
1 1 1 7  11 14 f 38.56000 0.8465000 -1.210000      1.693000  
1 1 1 7  11 16 o 80.12000 1.175000  -4.880000      2.350000  
1 1 1 7  11 18 o 122.5000 1.739000  5.513000       3.478000  
1 1 1 7  11 20 o 164.5000 2.998000  -0.1463000     5.996000  
1 1 1 7  11 22 o 13.97000 2.149000  0.9860000      4.297000  
1 1 1 7  11 24 o 19.61000 1.251000  1.338000       2.502000  
1 1 1 7  11 26 o 84.09000 1.387000  -2.343000      2.775000  
1 1 1 7  11 28 o 19.59000 1.192000  2.531000       2.384000  
1 1 1 7  11 30 o 51.58000 1.224000  3.605000       2.449000  
1 1 1 7  11 32 o 23.17000 1.288000  -3.610000      2.575000  
1 1 1 7  11 34 o 44.68000 1.107000  0.7822000      2.215000  
1 1 1 7  11 36 o 25.44000 1.147000  -1.637000      2.294000  
1 1 1 7  11 38 o 6.056000 1.933000  -2.129000      3.867000  
1 1 1 7  11 40 o 42.53000 1.423000  0.2931000E-01  2.847000  
1 1 1 7  11 42 o 32.57000 1.581000  -3.472000      3.163000  
1 1 1 7  11 44 o 30.87000 1.444000  -2.691000      2.889000  
1 1 1 7  11 46 o 19.80000 2.207000  0.8107000      4.414000  
1 1 1 7  11 48 o 29.56000 3.194000  -1.793000      6.388000  
1 1 1 7  12 1  o 44.14000 0.8604000 -2.825000      1.721000  
1 1 1 7  12 3  o 45.01000 0.7028000 0.7585000      1.406000  
1 1 1 7  12 5  o 63.36000 0.8815000 -1.085000      1.763000  
1 1 1 7  12 7  o 37.80000 0.6720000 -0.8134000E-01 1.344000  
1 1 1 7  12 9  o 29.03000 0.6604000 2.121000       1.321000  
1 1 1 7  12 11 o 93.09000 1.271000  0.9470000      2.542000  
1 1 1 7  12 13 o 79.24000 1.166000  1.680000       2.332000  
1 1 1 7  12 15 o 42.84000 0.8516000 -0.9677000     1.703000  
1 1 1 7  12 17 o 90.98000 1.274000  0.8114000      2.548000  
1 1 1 7  12 19 o 104.5000 1.698000  -0.6034000     3.396000  
1 1 1 7  12 21 o 72.82000 2.128000  5.484000       4.256000  
1 1 1 7  12 23 o 38.22000 2.228000  4.413000       4.456000  
1 1 1 7  12 25 o 53.92000 1.101000  -0.3132000     2.202000  
1 1 1 7  12 27 o 51.64000 1.299000  1.453000       2.598000  
1 1 1 7  12 29 o 49.58000 1.197000  0.7971000      2.393000  
1 1 1 7  12 31 o 52.08000 1.141000  3.196000       2.283000  
1 1 1 7  12 33 o 56.35000 1.215000  -3.812000      2.430000  
1 1 1 7  12 35 o 39.32000 1.078000  -0.9814000     2.156000  
1 1 1 7  12 37 o 36.28000 1.105000  -3.816000      2.211000  
1 1 1 7  12 39 o 18.71000 1.932000  3.429000       3.865000  
1 1 1 7  12 41 o 35.80000 1.796000  2.854000       3.592000  
1 1 1 7  12 43 o 9.169000 2.541000  -4.220000      5.082000  
1 1 1 7  12 45 o 22.72000 1.787000  2.156000       3.574000  
1 1 1 7  12 47 o 17.95000 2.099000  9.918000       4.197000  
1 1 1 7  12 49 o 8.357000 2.791000  0.5299000      5.582000  
1 1 1 7  13 0  o 88.20000 1.907000  0.000000       0.000000  
1 1 1 7  13 2  o 81.27000 1.085000  2.501000       2.171000  
1 1 1 7  13 4  o 68.23000 1.012000  -0.3042000     2.023000  
1 1 1 7  13 6  o 59.02000 0.8405000 -0.5006000     1.681000  
1 1 1 7  13 8  o 47.83000 0.7491000 1.481000       1.498000  
1 1 1 7  13 10 o 80.61000 1.082000  -0.7805000E-01 2.164000  
1 1 1 7  13 12 o 58.04000 1.111000  4.587000       2.223000  
1 1 1 7  13 14 o 110.7000 1.502000  0.7679000      3.003000  
1 1 1 7  13 16 f 46.97000 0.9997000 -1.719000      1.999000  
1 1 1 7  13 18 o 113.7000 1.586000  5.963000       3.172000  
1 1 1 7  13 20 o 17.62000 2.824000  4.618000       5.647000  
1 1 1 7  13 22 o 22.04000 2.966000  -3.536000      5.932000  
1 1 1 7  13 24 o 38.03000 2.348000  2.421000       4.696000  
1 1 1 7  13 26 o 43.55000 2.298000  -3.007000      4.596000  
1 1 1 7  13 28 o 27.59000 1.028000  0.7335000      2.056000  
1 1 1 7  13 30 o 86.54000 1.459000  2.822000       2.919000  
1 1 1 7  13 32 o 46.36000 1.121000  1.001000       2.241000  
1 1 1 7  13 34 o 11.39000 2.019000  -3.485000      4.039000  
1 1 1 7  13 36 o 28.17000 1.105000  -0.4727000     2.209000  
1 1 1 7  13 38 o 40.85000 1.181000  1.370000       2.362000  
1 1 1 7  13 40 o 34.59000 2.100000  0.2852000      4.200000  
1 1 1 7  13 42 o 11.41000 2.575000  -2.022000      5.150000  
1 1 1 7  13 44 o 28.13000 1.412000  1.245000       2.823000  
1 1 1 7  13 46 o 20.45000 1.873000  -0.9559000     3.746000  
1 1 1 7  13 48 o 17.86000 2.334000  -10.45000      4.668000  
1 1 1 7  14 1  o 43.54000 0.7895000 -0.8207000     1.579000  
1 1 1 7  14 3  o 70.39000 1.047000  -0.8388000     2.095000  
1 1 1 7  14 5  o 40.48000 0.8246000 0.5972000E-01  1.649000  
1 1 1 7  14 7  o 116.1000 1.508000  0.9228000      3.017000  
1 1 1 7  14 9  o 84.66000 1.312000  1.257000       2.623000  
1 1 1 7  14 11 o 25.53000 0.8042000 -0.5818000     1.608000  
1 1 1 7  14 13 o 27.12000 0.8992000 -1.534000      1.798000  
1 1 1 7  14 15 o 98.94000 1.388000  6.827000       2.776000  
1 1 1 7  14 17 o 40.92000 0.9604000 -2.270000      1.921000  
1 1 1 7  14 19 o 114.9000 1.752000  2.592000       3.503000  
1 1 1 7  14 21 o 36.48000 0.9780000 -3.042000      1.956000  
1 1 1 7  14 23 o 11.59000 3.201000  3.698000       6.402000  
1 1 1 7  14 25 o 44.41000 1.641000  4.832000       3.281000  
1 1 1 7  14 27 o 24.88000 2.991000  -5.217000      5.982000  
1 1 1 7  14 29 f 45.83000 1.974000  -3.394000      3.947000  
1 1 1 7  14 31 o 26.52000 3.074000  -2.873000      6.148000  
1 1 1 7  14 33 o 19.05000 3.345000  -0.8162000     6.690000  
1 1 1 7  14 35 o 11.54000 1.782000  -0.4821000     3.564000  
1 1 1 7  14 37 o 36.64000 1.139000  0.5132000      2.277000  
1 1 1 7  14 39 f 50.24000 1.459000  -0.9652000     2.918000  
1 1 1 7  14 41 o 56.86000 1.572000  2.370000       3.144000  
1 1 1 7  14 43 o 34.26000 1.257000  -3.240000      2.513000  
1 1 1 7  14 45 o 22.91000 1.587000  -1.856000      3.174000  
1 1 1 7  14 47 o 15.59000 3.760000  5.701000       7.520000  
1 1 1 7  15 0  o 88.56000 1.663000  0.000000       0.000000  
1 1 1 7  15 2  o 27.35000 0.8449000 -0.6578000     1.690000  
1 1 1 7  15 4  o 20.57000 1.071000  0.7204000      2.142000  
1 1 1 7  15 6  o 60.18000 0.9501000 -2.719000      1.900000  
1 1 1 7  15 8  o 87.02000 1.259000  3.384000       2.518000  
1 1 1 7  15 10 o 209.2000 2.678000  -2.454000      5.357000  
1 1 1 7  15 12 o 74.90000 1.047000  2.073000       2.093000  
1 1 1 7  15 14 o 41.86000 1.321000  4.810000       2.641000  
1 1 1 7  15 16 f 4.808000 1.699000  0.3056000      3.397000  
1 1 1 7  15 18 o 46.43000 1.402000  -2.787000      2.803000  
1 1 1 7  15 20 o 77.80000 1.457000  1.963000       2.915000  
1 1 1 7  15 22 o 30.34000 0.9573000 -3.547000      1.915000  
1 1 1 7  15 24 o 31.88000 4.166000  -21.72000      8.333000  
1 1 1 7  15 26 o 35.36000 2.444000  -2.049000      4.887000  
1 1 1 7  15 28 o 16.90000 3.473000  1.434000       6.945000  
1 1 1 7  15 30 o 19.88000 3.305000  3.064000       6.609000  
1 1 1 7  15 32 o 19.71000 3.266000  -6.107000      6.532000  
1 1 1 7  15 34 o 49.66000 4.916000  -12.48000      9.831000  
1 1 1 7  15 36 o 23.17000 3.285000  -5.201000      6.569000  
1 1 1 7  15 38 f 52.60000 2.416000  -3.375000      4.832000  
1 1 1 7  15 40 o 11.89000 2.666000  -6.931000      5.333000  
1 1 1 7  15 42 o 13.67000 4.072000  7.510000       8.145000  
1 1 1 7  15 44 o 38.81000 2.413000  -3.546000      4.827000  
1 1 1 7  15 46 o 17.43000 3.886000  10.66000       7.772000  
1 1 1 7  15 48 o 12.48000 3.552000  -0.1274000     7.103000  
1 1 1 7  16 1  o 42.88000 0.8193000 -2.112000      1.639000  
1 1 1 7  16 3  o 47.68000 0.8400000 -1.248000      1.680000  
1 1 1 7  16 5  o 74.24000 1.137000  -1.108000      2.275000  
1 1 1 7  16 7  o 31.50000 0.9105000 2.408000       1.821000  
1 1 1 7  16 9  o 61.29000 0.9911000 -0.6891000     1.982000  
1 1 1 7  16 11 o 112.1000 1.478000  2.006000       2.956000  
1 1 1 7  16 13 o 115.4000 1.533000  0.3851000      3.066000  
1 1 1 7  16 15 o 74.30000 1.414000  6.864000       2.828000  
1 1 1 7  16 17 o 102.9000 1.897000  -3.864000      3.794000  
1 1 1 7  16 19 o 99.92000 1.736000  5.736000       3.471000  
1 1 1 7  16 21 o 48.74000 1.112000  4.400000       2.224000  
1 1 1 7  16 23 o 38.64000 2.395000  -10.88000      4.789000  
1 1 1 7  16 25 o 23.40000 3.198000  -4.555000      6.397000  
1 1 1 7  16 27 o 42.05000 2.009000  8.100000       4.017000  
1 1 1 7  16 29 o 15.23000 2.955000  -4.308000      5.910000  
1 1 1 7  16 31 o 19.52000 4.908000  11.60000       9.816000  
1 1 1 7  16 33 o 26.11000 5.021000  0.6639000      10.04000  
1 1 1 7  16 35 o 48.77000 2.103000  -4.962000      4.207000  
1 1 1 7  16 37 o 23.07000 3.591000  -1.591000      7.182000  
1 1 1 7  16 39 o 46.09000 1.807000  7.402000       3.614000  
1 1 1 7  16 41 o 66.33000 3.400000  16.46000       6.800000  
1 1 1 7  16 43 o 26.86000 2.906000  -4.767000      5.812000  
1 1 1 7  16 45 o 16.88000 3.766000  5.094000       7.532000  
1 1 1 7  16 47 o 27.57000 2.406000  2.613000       4.811000  
1 1 1 7  17 0  o 119.2000 2.216000  0.000000       0.000000  
1 1 1 7  17 2  o 132.7000 1.733000  -1.268000      3.466000  
1 1 1 7  17 4  o 30.56000 0.9647000 -0.3805000     1.929000  
1 1 1 7  17 6  o 10.78000 2.218000  1.968000       4.436000  
1 1 1 7  17 8  o 25.80000 1.105000  -0.2680000     2.210000  
1 1 1 7  17 10 o 108.2000 1.659000  1.215000       3.317000  
1 1 1 7  17 12 o 86.11000 1.305000  4.574000       2.609000  
1 1 1 7  17 14 o 152.3000 2.335000  -5.605000      4.669000  
1 1 1 7  17 16 o 120.0000 2.036000  -2.522000      4.071000  
1 1 1 7  17 18 o 124.8000 2.056000  6.786000       4.113000  
1 1 1 7  17 20 o 76.10000 1.387000  4.940000       2.773000  
1 1 1 7  17 22 o 56.71000 1.329000  6.281000       2.658000  
1 1 1 7  17 24 o 57.88000 1.203000  0.4448000      2.406000  
1 1 1 7  17 26 o 20.81000 0.7853000 -3.778000      1.571000  
1 1 1 7  17 28 o 42.07000 4.756000  -6.992000      9.512000  
1 1 1 7  17 30 o 22.63000 5.070000  26.33000       10.14000  
1 1 1 7  17 32 o 24.02000 3.360000  -4.662000      6.719000  
1 1 1 7  17 34 o 25.75000 3.188000  0.2035000      6.375000  
1 1 1 7  17 36 o 32.67000 2.825000  2.434000       5.650000  
1 1 1 7  17 38 o 18.42000 4.112000  4.326000       8.224000  
1 1 1 7  17 40 o 12.47000 2.727000  -3.378000      5.454000  
1 1 1 7  17 42 o 9.710000 3.080000  3.340000       6.160000  
1 1 1 7  17 44 o 15.40000 3.575000  -0.2813000     7.150000  
1 1 1 7  17 46 o 14.93000 3.388000  0.6834000      6.776000  
1 1 1 7  18 1  o 34.40000 1.007000  1.067000       2.014000  
1 1 1 7  18 3  o 38.12000 0.9438000 -1.823000      1.888000  
1 1 1 7  18 5  o 45.60000 0.9149000 -0.4113000     1.830000  
1 1 1 7  18 7  o 107.9000 1.670000  0.7725000      3.340000  
1 1 1 7  18 9  o 153.0000 2.158000  -1.035000      4.317000  
1 1 1 7  18 11 o 112.6000 1.659000  -5.434000      3.318000  
1 1 1 7  18 13 o 110.2000 1.748000  -3.006000      3.495000  
1 1 1 7  18 15 o 84.52000 1.834000  5.318000       3.668000  
1 1 1 7  18 17 o 32.90000 2.590000  6.227000       5.180000  
1 1 1 7  18 19 o 27.77000 1.644000  -2.539000      3.288000  
1 1 1 7  18 21 o 57.82000 1.241000  0.8192000      2.482000  
1 1 1 7  18 23 o 28.19000 1.408000  -2.612000      2.817000  
1 1 1 7  18 25 o 77.58000 1.554000  1.801000       3.108000  
1 1 1 7  18 27 o 16.58000 1.030000  1.848000       2.059000  
1 1 1 7  18 29 o 25.76000 3.183000  1.891000       6.365000  
1 1 1 7  18 31 o 45.51000 2.415000  -2.604000      4.830000  
1 1 1 7  18 33 o 42.12000 2.251000  -3.362000      4.502000  
1 1 1 7  18 35 o 42.66000 2.325000  2.346000       4.650000  
1 1 1 7  18 37 o 6.861000 2.473000  4.662000       4.946000  
1 1 1 7  18 39 o 7.176000 2.466000  4.065000       4.932000  
1 1 1 7  18 41 o 36.49000 3.675000  -9.176000      7.350000  
1 1 1 7  18 43 o 12.34000 3.849000  6.819000       7.697000  
1 1 1 7  18 45 o 12.10000 3.754000  5.945000       7.508000  
1 1 1 7  18 47 o 12.88000 3.721000  7.227000       7.441000  
1 1 1 7  19 0  o 145.0000 2.664000  0.000000       0.000000  
1 1 1 7  19 2  o 51.03000 0.9284000 -1.953000      1.857000  
1 1 1 7  19 4  o 76.74000 1.118000  -1.196000      2.236000  
1 1 1 7  19 6  o 47.74000 1.178000  2.889000       2.357000  
1 1 1 7  19 8  o 44.84000 1.065000  -0.4351000     2.130000  
1 1 1 7  19 10 o 47.17000 1.260000  -2.184000      2.519000  
1 1 1 7  19 12 o 82.13000 1.604000  5.080000       3.207000  
1 1 1 7  19 14 o 87.55000 2.735000  ?              ?         
1 1 1 7  19 16 f 79.62000 1.394000  2.065000       2.788000  
1 1 1 7  19 18 o 61.44000 1.547000  -2.360000      3.094000  
1 1 1 7  19 20 o 52.40000 1.254000  2.068000       2.508000  
1 1 1 7  19 22 o 135.1000 2.264000  11.20000       4.528000  
1 1 1 7  19 24 o 64.05000 1.407000  4.665000       2.814000  
1 1 1 7  19 26 o 30.72000 3.609000  -9.981000      7.217000  
1 1 1 7  19 28 o 66.51000 1.245000  -0.9776000     2.490000  
1 1 1 7  19 30 o 68.57000 2.281000  2.530000       4.563000  
1 1 1 7  19 32 f 42.03000 2.156000  5.048000       4.313000  
1 1 1 7  19 34 o 29.33000 3.284000  -4.591000      6.568000  
1 1 1 7  19 36 o 52.56000 2.644000  -5.877000      5.289000  
1 1 1 7  19 38 o 7.676000 3.793000  ?              ?         
1 1 1 7  19 40 o 33.24000 4.887000  -2.339000      9.774000  
1 1 1 7  19 42 o 20.85000 3.587000  -7.151000      7.174000  
1 1 1 7  19 44 o 21.01000 3.920000  11.58000       7.840000  
1 1 1 7  19 46 o 22.77000 2.183000  4.534000       4.367000  
1 1 1 7  20 1  o 114.0000 1.537000  0.9903000      3.075000  
1 1 1 7  20 3  o 21.50000 1.776000  1.566000       3.552000  
1 1 1 7  20 5  o 20.60000 1.984000  3.868000       3.968000  
1 1 1 7  20 7  o 84.82000 1.285000  -4.430000      2.569000  
1 1 1 7  20 9  o 81.66000 1.311000  1.099000       2.621000  
1 1 1 7  20 11 o 97.44000 1.638000  1.145000       3.276000  
1 1 1 7  20 13 o 76.50000 2.239000  4.975000       4.479000  
1 1 1 7  20 15 o 9.693000 2.794000  -4.862000      5.589000  
1 1 1 7  20 17 o 43.66000 1.538000  2.455000       3.077000  
1 1 1 7  20 19 o 52.81000 1.371000  1.952000       2.742000  
1 1 1 7  20 21 o 36.24000 1.398000  0.9364000      2.795000  
1 1 1 7  20 23 o 25.27000 1.693000  -2.638000      3.385000  
1 1 1 7  20 25 o 67.96000 1.265000  -2.994000      2.531000  
1 1 1 7  20 27 o 29.11000 1.276000  3.398000       2.553000  
1 1 1 7  20 29 o 28.70000 1.125000  -3.986000      2.249000  
1 1 1 7  20 31 o 26.96000 3.223000  2.973000       6.446000  
1 1 1 7  20 33 o 26.77000 3.345000  2.134000       6.690000  
1 1 1 7  20 35 o 10.52000 3.465000  8.438000       6.930000  
1 1 1 7  20 37 o 41.49000 2.017000  -7.614000      4.034000  
1 1 1 7  20 39 o 37.13000 4.080000  3.816000       8.159000  
1 1 1 7  20 41 o 18.75000 2.867000  1.833000       5.734000  
1 1 1 7  20 43 o 14.45000 4.040000  6.300000       8.081000  
1 1 1 7  20 45 o 8.998000 2.839000  1.762000       5.679000  
1 1 1 7  21 2  o 104.0000 1.483000  -3.762000      2.965000  
1 1 1 7  21 4  o 37.21000 1.997000  2.377000       3.993000  
1 1 1 7  21 6  o 116.4000 1.632000  2.153000       3.264000  
1 1 1 7  21 8  o 10.17000 3.038000  -0.9294000     6.076000  
1 1 1 7  21 10 o 63.44000 2.201000  5.689000       4.403000  
1 1 1 7  21 12 o 46.12000 2.212000  2.642000       4.424000  
1 1 1 7  21 14 o 25.38000 2.520000  -4.633000      5.041000  
1 1 1 7  21 16 o 57.42000 1.387000  1.649000       2.774000  
1 1 1 7  21 18 o 39.14000 1.188000  0.4807000      2.377000  
1 1 1 7  21 20 o 16.86000 2.275000  -2.787000      4.550000  
1 1 1 7  21 22 o 47.58000 1.304000  -2.326000      2.609000  
1 1 1 7  21 24 o 36.95000 1.408000  -3.488000      2.816000  
1 1 1 7  21 26 o 38.24000 1.229000  1.108000       2.458000  
1 1 1 7  21 28 o 53.96000 1.223000  0.8405000      2.446000  
1 1 1 7  21 30 o 21.54000 1.598000  -3.072000      3.196000  
1 1 1 7  21 32 o 31.11000 3.347000  -4.922000      6.694000  
1 1 1 7  21 34 o 21.85000 3.396000  -1.011000      6.791000  
1 1 1 7  21 36 f 51.05000 2.218000  -4.910000      4.436000  
1 1 1 7  21 38 o 13.17000 3.910000  5.189000       7.820000  
1 1 1 7  21 40 o 17.60000 2.855000  -5.306000      5.709000  
1 1 1 7  21 42 o 34.01000 3.289000  0.5523000      6.578000  
1 1 1 7  21 44 o 9.526000 3.350000  7.560000       6.699000  
1 1 1 7  22 1  o 61.43000 1.387000  -2.808000      2.774000  
1 1 1 7  22 3  o 124.0000 1.735000  -4.523000      3.470000  
1 1 1 7  22 5  o 81.38000 1.793000  -5.588000      3.585000  
1 1 1 7  22 7  o 107.0000 2.695000  -7.922000      5.390000  
1 1 1 7  22 9  o 8.320000 2.943000  -2.209000      5.886000  
1 1 1 7  22 11 o 66.61000 1.484000  1.430000       2.968000  
1 1 1 7  22 13 o 128.2000 2.035000  -2.762000      4.071000  
1 1 1 7  22 15 o 47.75000 1.198000  -4.438000      2.396000  
1 1 1 7  22 17 o 46.47000 2.236000  2.207000       4.472000  
1 1 1 7  22 19 o 29.42000 1.433000  -1.221000      2.865000  
1 1 1 7  22 21 o 39.67000 1.319000  7.459000       2.638000  
1 1 1 7  22 23 o 27.00000 1.788000  -5.246000      3.576000  
1 1 1 7  22 25 o 41.72000 1.261000  2.185000       2.521000  
1 1 1 7  22 27 o 41.60000 1.321000  -2.930000      2.642000  
1 1 1 7  22 29 o 18.80000 1.982000  2.651000       3.964000  
1 1 1 7  22 31 o 31.89000 0.9096000 -2.404000      1.819000  
1 1 1 7  22 33 o 10.24000 3.341000  6.050000       6.681000  
1 1 1 7  22 35 o 39.83000 4.131000  -9.883000      8.263000  
1 1 1 7  22 37 o 12.72000 3.291000  2.270000       6.582000  
1 1 1 7  22 39 o 32.27000 4.080000  -18.19000      8.161000  
1 1 1 7  22 41 o 13.94000 3.833000  5.072000       7.666000  
1 1 1 7  22 43 f 14.57000 4.392000  -0.1369000     8.785000  
1 1 1 7  23 0  o 104.5000 3.248000  0.000000       0.000000  
1 1 1 7  23 2  o 115.1000 2.475000  14.47000       4.949000  
1 1 1 7  23 4  o 92.41000 2.250000  7.988000       4.501000  
1 1 1 7  23 6  o 39.32000 2.062000  0.5545000      4.124000  
1 1 1 7  23 8  o 118.0000 1.801000  -4.463000      3.602000  
1 1 1 7  23 10 o 45.58000 1.768000  8.266000       3.536000  
1 1 1 7  23 12 o 36.79000 1.409000  -0.7426000     2.819000  
1 1 1 7  23 14 o 57.04000 1.183000  4.694000       2.365000  
1 1 1 7  23 16 o 37.96000 1.314000  -1.856000      2.629000  
1 1 1 7  23 18 o 21.95000 2.112000  3.241000       4.225000  
1 1 1 7  23 20 f 41.13000 1.546000  2.667000       3.092000  
1 1 1 7  23 22 o 31.26000 1.530000  1.880000       3.059000  
1 1 1 7  23 24 o 19.86000 2.103000  1.975000       4.206000  
1 1 1 7  23 26 o 41.16000 1.384000  2.433000       2.768000  
1 1 1 7  23 28 o 36.90000 1.525000  -5.360000      3.049000  
1 1 1 7  23 30 o 34.84000 1.341000  -0.8180000     2.682000  
1 1 1 7  23 32 f 34.54000 0.8922000 -2.138000      1.784000  
1 1 1 7  23 34 o 19.30000 4.549000  -5.854000      9.099000  
1 1 1 7  23 36 o 28.62000 3.040000  -6.220000      6.080000  
1 1 1 7  23 38 o 15.96000 4.088000  10.16000       8.175000  
1 1 1 7  23 40 o 14.93000 3.878000  4.118000       7.757000  
1 1 1 7  23 42 o 24.66000 3.308000  -10.06000      6.616000  
1 1 1 7  23 44 o 12.41000 3.570000  6.334000       7.139000  
1 1 1 7  24 1  o 10.83000 3.417000  0.2984000      6.834000  
1 1 1 7  24 3  o 33.02000 2.321000  1.464000       4.641000  
1 1 1 7  24 5  o 32.01000 1.926000  -2.734000      3.852000  
1 1 1 7  24 7  f 73.15000 2.026000  -1.349000      4.052000  
1 1 1 7  24 9  o 54.86000 1.447000  1.649000       2.893000  
1 1 1 7  24 11 o 43.13000 1.517000  1.368000       3.035000  
1 1 1 7  24 13 o 21.13000 2.342000  2.607000       4.683000  
1 1 1 7  24 15 o 65.43000 1.275000  -1.707000      2.551000  
1 1 1 7  24 17 o 19.46000 2.227000  -0.8952000     4.455000  
1 1 1 7  24 19 o 32.75000 1.480000  -0.1244000     2.961000  
1 1 1 7  24 21 o 49.51000 1.298000  1.859000       2.596000  
1 1 1 7  24 23 o 10.61000 2.730000  1.804000       5.460000  
1 1 1 7  24 25 o 43.00000 1.523000  7.387000       3.046000  
1 1 1 7  24 27 o 36.74000 1.454000  0.5033000      2.909000  
1 1 1 7  24 29 o 12.56000 2.603000  1.596000       5.206000  
1 1 1 7  24 31 o 44.94000 1.347000  -0.4201000     2.694000  
1 1 1 7  24 33 o 28.89000 3.384000  -8.246000      6.768000  
1 1 1 7  24 35 o 9.713000 3.155000  6.532000       6.309000  
1 1 1 7  24 37 o 24.54000 4.039000  4.741000       8.077000  
1 1 1 7  24 39 o 16.35000 2.573000  -9.318000      5.145000  
1 1 1 7  24 41 o 20.31000 3.211000  -7.023000      6.422000  
1 1 1 7  24 43 o 33.06000 1.520000  ?              ?         
1 1 1 7  25 0  o 53.43000 1.901000  0.000000       0.000000  
1 1 1 7  25 2  o 32.46000 2.131000  1.160000       4.263000  
1 1 1 7  25 4  o 14.75000 3.719000  -1.638000      7.439000  
1 1 1 7  25 6  f 81.96000 1.557000  -0.5274000     3.114000  
1 1 1 7  25 8  o 67.00000 1.394000  7.616000       2.789000  
1 1 1 7  25 10 o 67.71000 1.648000  -3.602000      3.297000  
1 1 1 7  25 12 o 10.51000 3.049000  -0.9329000     6.099000  
1 1 1 7  25 14 o 48.08000 1.349000  3.630000       2.698000  
1 1 1 7  25 16 o 81.79000 1.511000  -3.048000      3.021000  
1 1 1 7  25 18 o 49.04000 1.316000  0.3471000      2.631000  
1 1 1 7  25 20 o 27.86000 1.670000  2.403000       3.340000  
1 1 1 7  25 22 o 53.52000 1.297000  0.2950000      2.595000  
1 1 1 7  25 24 f 41.51000 2.673000  -0.6914000     5.347000  
1 1 1 7  25 26 o 43.12000 1.582000  -4.454000      3.165000  
1 1 1 7  25 28 o 18.37000 2.496000  -5.962000      4.993000  
1 1 1 7  25 30 o 26.88000 2.035000  -0.2449000     4.070000  
1 1 1 7  25 32 o 10.54000 3.153000  0.9626000      6.306000  
1 1 1 7  25 34 o 27.68000 1.464000  -10.22000      2.928000  
1 1 1 7  25 36 o 28.54000 3.616000  0.1565000      7.233000  
1 1 1 7  25 38 o 26.93000 2.477000  -7.648000      4.955000  
1 1 1 7  25 40 o 22.47000 5.088000  4.566000       10.18000  
1 1 1 7  25 42 o 7.185000 2.461000  2.474000       4.922000  
1 1 1 7  26 1  o 44.72000 1.671000  0.2460000      3.342000  
1 1 1 7  26 3  o 14.07000 3.371000  -2.593000      6.742000  
1 1 1 7  26 5  o 47.53000 1.631000  1.126000       3.262000  
1 1 1 7  26 7  o 47.43000 1.517000  -4.917000      3.033000  
1 1 1 7  26 9  o 63.83000 1.553000  1.382000       3.106000  
1 1 1 7  26 11 o 22.81000 3.217000  -1.628000      6.435000  
1 1 1 7  26 13 o 30.76000 1.844000  -0.7251000     3.688000  
1 1 1 7  26 15 o 72.37000 1.364000  0.2280000      2.727000  
1 1 1 7  26 17 o 25.52000 2.156000  5.508000       4.313000  
1 1 1 7  26 19 o 76.69000 1.327000  2.844000       2.653000  
1 1 1 7  26 21 o 24.73000 1.805000  -3.830000      3.611000  
1 1 1 7  26 23 o 16.43000 2.636000  5.040000       5.272000  
1 1 1 7  26 25 o 41.47000 2.653000  0.2277000      5.305000  
1 1 1 7  26 27 o 36.22000 1.720000  -5.793000      3.440000  
1 1 1 7  26 29 o 40.03000 1.691000  1.107000       3.382000  
1 1 1 7  26 31 o 37.63000 2.303000  -2.566000      4.606000  
1 1 1 7  26 33 o 15.16000 3.037000  15.41000       6.074000  
1 1 1 7  26 35 o 38.60000 1.590000  -4.499000      3.181000  
1 1 1 7  26 37 o 24.67000 4.589000  22.52000       9.179000  
1 1 1 7  26 39 o 12.50000 3.602000  9.663000       7.204000  
1 1 1 7  26 41 o 10.24000 3.435000  4.631000       6.871000  
1 1 1 7  27 0  o 59.41000 1.987000  0.000000       0.000000  
1 1 1 7  27 2  o 58.98000 1.689000  -5.323000      3.377000  
1 1 1 7  27 4  o 47.47000 1.532000  -1.325000      3.063000  
1 1 1 7  27 6  o 37.73000 1.901000  4.291000       3.802000  
1 1 1 7  27 8  o 75.19000 1.508000  -3.848000      3.017000  
1 1 1 7  27 10 o 14.68000 3.179000  3.459000       6.358000  
1 1 1 7  27 12 o 32.79000 2.421000  0.4909000      4.841000  
1 1 1 7  27 14 o 15.11000 3.800000  -0.9011000E-01 7.601000  
1 1 1 7  27 16 o 60.85000 1.542000  1.169000       3.084000  
1 1 1 7  27 18 o 49.44000 1.615000  -1.867000      3.231000  
1 1 1 7  27 20 o 84.57000 1.553000  4.751000       3.105000  
1 1 1 7  27 22 o 30.33000 1.685000  -3.373000      3.371000  
1 1 1 7  27 24 o 44.99000 1.375000  1.857000       2.750000  
1 1 1 7  27 26 o 64.72000 2.529000  1.089000       5.059000  
1 1 1 7  27 28 o 33.85000 1.845000  -4.774000      3.690000  
1 1 1 7  27 30 o 60.40000 1.814000  -3.133000      3.629000  
1 1 1 7  27 32 o 5.503000 1.969000  1.552000       3.939000  
1 1 1 7  27 34 o 28.06000 1.959000  0.5137000      3.918000  
1 1 1 7  27 36 o 16.33000 1.529000  -6.684000      3.057000  
1 1 1 7  27 38 o 32.57000 2.907000  -4.246000      5.815000  
1 1 1 7  27 40 o 21.91000 3.332000  20.11000       6.664000  
1 1 1 7  28 1  o 54.65000 1.771000  1.675000       3.542000  
1 1 1 7  28 3  o 51.83000 1.453000  -0.7320000     2.907000  
1 1 1 7  28 5  o 42.71000 1.628000  3.599000       3.256000  
1 1 1 7  28 7  o 70.42000 1.361000  -1.668000      2.722000  
1 1 1 7  28 9  o 74.59000 1.611000  -0.4725000     3.221000  
1 1 1 7  28 11 o 35.28000 2.155000  -1.250000      4.311000  
1 1 1 7  28 13 o 51.99000 1.718000  0.9108000      3.437000  
1 1 1 7  28 15 o 36.95000 1.689000  3.801000       3.379000  
1 1 1 7  28 17 o 24.46000 2.074000  -1.677000      4.147000  
1 1 1 7  28 19 o 26.26000 2.874000  -1.205000      5.748000  
1 1 1 7  28 21 o 16.97000 3.682000  0.8113000      7.364000  
1 1 1 7  28 23 o 27.50000 2.797000  -6.180000      5.594000  
1 1 1 7  28 25 o 46.86000 2.003000  -3.200000      4.007000  
1 1 1 7  28 27 o 27.97000 3.755000  -3.367000      7.510000  
1 1 1 7  28 29 o 14.78000 5.228000  15.08000       10.46000  
1 1 1 7  28 31 o 13.07000 3.446000  15.23000       6.891000  
1 1 1 7  28 33 o 8.933000 2.960000  4.207000       5.920000  
1 1 1 7  28 35 f 22.90000 3.165000  4.034000       6.330000  
1 1 1 7  28 37 o 16.38000 2.798000  3.187000       5.596000  
1 1 1 7  28 39 o 11.86000 3.013000  -0.1947000     6.027000  
1 1 1 7  28 41 o 9.587000 4.181000  ?              ?         
1 1 1 7  29 0  o 74.34000 1.976000  0.000000       0.000000  
1 1 1 7  29 2  o 43.81000 1.835000  4.142000       3.670000  
1 1 1 7  29 4  o 36.34000 2.004000  2.729000       4.009000  
1 1 1 7  29 6  f 17.60000 3.700000  0.6184000      7.399000  
1 1 1 7  29 8  o 52.38000 1.876000  -2.035000      3.752000  
1 1 1 7  29 10 o 26.13000 2.478000  -0.9487000     4.957000  
1 1 1 7  29 12 o 46.28000 1.543000  0.3436000      3.087000  
1 1 1 7  29 14 o 46.08000 1.812000  3.173000       3.623000  
1 1 1 7  29 16 o 46.04000 1.704000  2.749000       3.408000  
1 1 1 7  29 18 o 17.96000 3.217000  0.8907000E-01  6.434000  
1 1 1 7  29 20 o 26.67000 2.340000  0.9867000      4.681000  
1 1 1 7  29 22 o 56.07000 1.570000  2.566000       3.139000  
1 1 1 7  29 24 o 38.89000 1.670000  0.3228000      3.340000  
1 1 1 7  29 26 o 12.51000 3.879000  -0.9668000     7.759000  
1 1 1 7  29 30 o 15.63000 7.307000  ?              ?         
1 1 1 7  29 32 o 14.96000 4.382000  2.588000       8.763000  
1 1 1 7  29 34 o 26.14000 4.808000  -11.01000      9.617000  
1 1 1 7  29 36 o 31.38000 2.012000  -0.1623000     4.024000  
1 1 1 7  29 38 o 16.59000 2.311000  7.088000       4.621000  
1 1 1 7  29 40 o 6.559000 2.231000  3.622000       4.461000  
1 1 1 7  30 1  o 14.77000 3.952000  1.574000       7.904000  
1 1 1 7  30 3  o 33.37000 2.249000  -2.358000      4.498000  
1 1 1 7  30 5  o 45.51000 1.749000  3.102000       3.498000  
1 1 1 7  30 7  o 108.4000 1.724000  5.679000       3.447000  
1 1 1 7  30 9  o 83.14000 1.550000  -0.8493000     3.100000  
1 1 1 7  30 11 o 16.85000 3.545000  1.566000       7.090000  
1 1 1 7  30 13 o 63.11000 1.436000  -3.572000      2.872000  
1 1 1 7  30 15 o 47.16000 1.701000  -0.1094000     3.403000  
1 1 1 7  30 17 o 23.03000 2.681000  -2.293000      5.362000  
1 1 1 7  30 19 o 17.21000 3.029000  0.7832000      6.058000  
1 1 1 7  30 21 o 15.29000 3.215000  -1.256000      6.430000  
1 1 1 7  30 23 o 33.87000 2.119000  -0.6436000     4.237000  
1 1 1 7  30 25 o 48.60000 2.705000  5.024000       5.411000  
1 1 1 7  30 29 o 15.39000 4.224000  15.59000       8.448000  
1 1 1 7  30 31 o 19.90000 4.026000  1.129000       8.052000  
1 1 1 7  30 33 o 22.58000 3.103000  6.840000       6.207000  
1 1 1 7  30 35 o 33.27000 1.953000  -1.907000      3.905000  
1 1 1 7  30 37 o 8.673000 2.117000  1.421000       4.235000  
1 1 1 7  30 39 o 10.38000 2.977000  -4.134000      5.954000  
1 1 1 7  31 0  o 71.77000 2.874000  0.000000       0.000000  
1 1 1 7  31 2  o 80.76000 1.470000  0.8245000      2.940000  
1 1 1 7  31 4  o 46.96000 1.730000  -1.652000      3.459000  
1 1 1 7  31 6  o 35.71000 2.222000  -1.295000      4.445000  
1 1 1 7  31 8  o 33.04000 2.117000  3.002000       4.234000  
1 1 1 7  31 10 o 34.85000 2.018000  3.454000       4.036000  
1 1 1 7  31 12 o 72.11000 1.610000  -0.5099000     3.219000  
1 1 1 7  31 14 o 25.13000 2.721000  -0.6086000     5.441000  
1 1 1 7  31 16 o 25.33000 2.744000  -0.6298000     5.488000  
1 1 1 7  31 18 o 24.63000 2.573000  -2.636000      5.147000  
1 1 1 7  31 20 o 40.60000 1.776000  2.080000       3.553000  
1 1 1 7  31 22 o 34.84000 2.992000  0.5952000      5.985000  
1 1 1 7  31 24 o 10.39000 2.959000  3.384000       5.918000  
1 1 1 7  31 26 o 35.76000 3.273000  10.23000       6.547000  
1 1 1 7  31 28 o 7.460000 2.720000  5.307000       5.439000  
1 1 1 7  31 30 o 19.59000 3.372000  -2.399000      6.745000  
1 1 1 7  31 32 o 24.29000 2.663000  -1.782000      5.326000  
1 1 1 7  31 34 o 18.04000 3.749000  -1.128000      7.498000  
1 1 1 7  31 36 o 15.30000 2.469000  -9.402000      4.937000  
1 1 1 7  32 1  o 46.68000 1.877000  -1.035000      3.754000  
1 1 1 7  32 3  f 28.62000 2.748000  0.8476000      5.496000  
1 1 1 7  32 5  o 26.28000 2.917000  -2.356000      5.835000  
1 1 1 7  32 7  f 68.34000 1.606000  -4.795000      3.212000  
1 1 1 7  32 9  o 41.74000 1.997000  -0.2160000     3.994000  
1 1 1 7  32 11 o 16.01000 3.710000  3.065000       7.420000  
1 1 1 7  32 13 o 75.58000 1.640000  4.032000       3.280000  
1 1 1 7  32 15 o 52.12000 1.680000  3.413000       3.360000  
1 1 1 7  32 17 o 24.84000 2.957000  0.3598000      5.913000  
1 1 1 7  32 19 o 25.40000 2.948000  9.658000       5.897000  
1 1 1 7  32 21 o 25.12000 3.620000  9.337000       7.241000  
1 1 1 7  32 23 o 12.63000 3.780000  7.508000       7.561000  
1 1 1 7  32 25 o 68.12000 1.786000  -5.992000      3.572000  
1 1 1 7  32 27 o 11.52000 2.624000  10.35000       5.248000  
1 1 1 7  32 29 o 13.02000 3.260000  -0.6730000     6.520000  
1 1 1 7  32 31 o 36.31000 2.131000  3.153000       4.262000  
1 1 1 7  32 33 o 17.38000 3.175000  -0.4117000     6.349000  
1 1 1 7  32 35 o 14.94000 4.038000  7.603000       8.076000  
1 1 1 7  32 37 o 9.909000 3.170000  7.730000       6.340000  
1 1 1 7  33 0  o 59.27000 2.579000  0.000000       0.000000  
1 1 1 7  33 2  o 67.22000 1.838000  -2.287000      3.677000  
1 1 1 7  33 4  o 14.42000 3.916000  -2.224000      7.831000  
1 1 1 7  33 6  o 14.14000 4.040000  0.3447000      8.079000  
1 1 1 7  33 8  o 18.64000 3.685000  5.304000       7.370000  
1 1 1 7  33 10 o 13.65000 3.657000  -3.132000      7.314000  
1 1 1 7  33 12 o 19.91000 3.760000  6.013000       7.519000  
1 1 1 7  33 14 o 37.05000 2.257000  -2.568000      4.514000  
1 1 1 7  33 16 o 39.26000 2.305000  3.234000       4.610000  
1 1 1 7  33 18 o 56.10000 2.043000  2.882000       4.086000  
1 1 1 7  33 20 f 32.54000 2.714000  3.812000       5.429000  
1 1 1 7  33 22 o 14.93000 4.494000  -12.73000      8.988000  
1 1 1 7  33 24 o 6.921000 2.450000  1.382000       4.899000  
1 1 1 7  33 26 o 12.27000 3.547000  -0.6020000     7.095000  
1 1 1 7  33 28 o 26.17000 2.897000  3.180000       5.794000  
1 1 1 7  33 30 o 32.92000 2.369000  0.6493000E-01  4.738000  
1 1 1 7  33 32 o 13.66000 3.608000  3.239000       7.215000  
1 1 1 7  33 34 o 11.76000 2.877000  6.663000       5.754000  
1 1 1 7  33 36 o 8.646000 2.924000  6.004000       5.848000  
1 1 1 7  34 1  o 52.24000 1.876000  -3.291000      3.751000  
1 1 1 7  34 3  f 19.47000 4.038000  1.360000       8.076000  
1 1 1 7  34 5  o 23.83000 4.105000  0.8454000E-01  8.210000  
1 1 1 7  34 7  o 13.45000 3.786000  -1.245000      7.572000  
1 1 1 7  34 9  o 33.33000 2.470000  0.2133000      4.940000  
1 1 1 7  34 11 o 30.19000 2.670000  -3.236000      5.339000  
1 1 1 7  34 13 o 53.17000 1.999000  -3.727000      3.997000  
1 1 1 7  34 15 o 17.41000 3.875000  3.704000       7.750000  
1 1 1 7  34 17 o 32.51000 3.888000  0.8742000      7.777000  
1 1 1 7  34 19 o 14.13000 3.402000  10.65000       6.804000  
1 1 1 7  34 21 o 16.49000 3.961000  0.3164000      7.921000  
1 1 1 7  34 25 o 40.72000 2.341000  4.510000       4.682000  
1 1 1 7  34 27 o 37.14000 2.190000  3.154000       4.381000  
1 1 1 7  34 29 o 16.58000 4.352000  1.746000       8.704000  
1 1 1 7  34 31 o 22.53000 3.638000  -4.832000      7.276000  
1 1 1 7  34 33 o 11.43000 3.010000  3.837000       6.021000  
1 1 1 7  34 35 o 8.768000 2.867000  4.449000       5.735000  
1 1 1 7  35 0  o 27.70000 4.577000  0.000000       0.000000  
1 1 1 7  35 2  o 39.42000 2.751000  1.269000       5.501000  
1 1 1 7  35 4  o 45.47000 2.064000  -5.898000      4.128000  
1 1 1 7  35 6  o 35.85000 2.432000  3.172000       4.863000  
1 1 1 7  35 8  o 24.23000 3.626000  -6.512000      7.253000  
1 1 1 7  35 10 o 31.78000 2.749000  1.549000       5.499000  
1 1 1 7  35 12 o 18.48000 4.012000  4.424000       8.024000  
1 1 1 7  35 14 o 15.71000 4.506000  -7.775000      9.012000  
1 1 1 7  35 16 o 12.23000 3.319000  1.818000       6.637000  
1 1 1 7  35 20 o 52.36000 2.943000  12.35000       5.885000  
1 1 1 7  35 22 o 10.34000 2.546000  10.48000       5.093000  
1 1 1 7  35 24 o 21.87000 3.530000  -0.2731000     7.059000  
1 1 1 7  35 26 o 30.10000 2.652000  2.537000       5.305000  
1 1 1 7  35 28 o 45.60000 1.816000  1.944000       3.633000  
1 1 1 7  35 30 o 13.34000 3.541000  3.813000       7.083000  
1 1 1 7  35 32 o 16.78000 3.530000  -0.5714000     7.060000  
1 1 1 7  35 34 o 8.947000 2.937000  6.839000       5.874000  
1 1 1 7  36 1  o 37.21000 2.468000  2.798000       4.937000  
1 1 1 7  36 3  o 59.97000 2.082000  2.348000       4.163000  
1 1 1 7  36 5  o 57.66000 1.949000  2.089000       3.897000  
1 1 1 7  36 7  o 31.75000 2.960000  -4.620000      5.919000  
1 1 1 7  36 9  o 19.67000 4.235000  1.594000       8.469000  
1 1 1 7  36 11 o 53.56000 2.578000  1.230000       5.155000  
1 1 1 7  36 13 f 45.76000 1.899000  1.107000       3.797000  
1 1 1 7  36 15 o 8.444000 2.840000  2.219000       5.680000  
1 1 1 7  36 17 o 59.65000 2.247000  -3.120000      4.495000  
1 1 1 7  36 21 o 13.97000 4.065000  -1.247000      8.129000  
1 1 1 7  36 23 o 19.72000 4.068000  -5.259000      8.137000  
1 1 1 7  36 25 o 17.75000 3.611000  0.9793000      7.222000  
1 1 1 7  36 27 o 11.13000 3.255000  -1.958000      6.509000  
1 1 1 7  36 29 o 17.13000 3.448000  1.196000       6.896000  
1 1 1 7  36 31 o 6.539000 2.300000  2.750000       4.601000  
1 1 1 7  36 33 o 7.683000 3.377000  ?              ?         
1 1 1 7  37 0  o 24.10000 6.506000  0.000000       0.000000  
1 1 1 7  37 2  o 32.59000 3.862000  -5.111000      7.723000  
1 1 1 7  37 4  o 39.69000 3.335000  -3.214000      6.669000  
1 1 1 7  37 6  o 30.25000 3.716000  -4.664000      7.433000  
1 1 1 7  37 8  o 32.50000 3.221000  1.986000       6.442000  
1 1 1 7  37 10 f 14.73000 3.871000  2.837000       7.743000  
1 1 1 7  37 12 o 9.951000 3.233000  4.035000       6.466000  
1 1 1 7  37 14 f 39.37000 3.269000  8.742000       6.539000  
1 1 1 7  37 16 o 11.41000 5.230000  ?              ?         
1 1 1 7  37 18 o 8.237000 2.590000  4.827000       5.180000  
1 1 1 7  37 20 o 13.17000 3.902000  -2.184000      7.803000  
1 1 1 7  37 22 o 23.92000 3.540000  6.845000       7.079000  
1 1 1 7  37 24 o 24.90000 3.364000  14.67000       6.727000  
1 1 1 7  37 26 o 10.85000 3.253000  -0.2308000     6.506000  
1 1 1 7  37 28 o 10.36000 2.936000  1.409000       5.872000  
1 1 1 7  37 30 o 10.01000 2.747000  2.898000       5.494000  
1 1 1 7  38 1  o 32.26000 2.878000  0.8920000      5.757000  
1 1 1 7  38 3  o 16.48000 4.672000  5.642000       9.344000  
1 1 1 7  38 5  o 11.13000 3.321000  2.777000       6.643000  
1 1 1 7  38 7  o 7.709000 2.690000  0.9211000E-01  5.380000  
1 1 1 7  38 11 o 63.00000 2.438000  -14.08000      4.876000  
1 1 1 7  38 13 o 10.15000 4.573000  ?              ?         
1 1 1 7  38 15 o 5.899000 2.086000  2.054000       4.171000  
1 1 1 7  38 17 o 15.11000 4.225000  -1.120000      8.449000  
1 1 1 7  38 19 o 39.01000 2.535000  8.374000       5.070000  
1 1 1 7  38 21 o 23.23000 3.431000  4.324000       6.862000  
1 1 1 7  38 23 o 16.92000 3.720000  5.152000       7.439000  
1 1 1 7  38 25 o 18.87000 3.625000  1.632000       7.251000  
1 1 1 7  38 27 o 7.383000 2.464000  0.3632000      4.927000  
1 1 1 7  38 29 o 37.56000 1.602000  -1.272000      3.205000  
1 1 1 7  39 6  o 70.00000 3.277000  -14.25000      6.555000  
1 1 1 7  39 8  o 28.74000 3.121000  -4.660000      6.242000  
1 1 1 7  39 12 o 6.482000 2.252000  2.861000       4.505000  
1 1 1 7  39 14 o 27.73000 4.304000  1.275000       8.608000  
1 1 1 7  39 16 o 58.51000 2.025000  2.086000       4.049000  
1 1 1 7  39 18 o 26.04000 3.313000  -0.1657000     6.627000  
1 1 1 7  39 20 o 17.15000 3.972000  5.462000       7.945000  
1 1 1 7  39 22 o 12.01000 3.605000  0.3915000E-01  7.211000  
1 1 1 7  39 24 o 17.84000 3.975000  -0.9391000     7.951000  
1 1 1 7  39 26 o 11.77000 2.760000  8.845000       5.520000  
1 1 1 7  39 28 o 21.35000 2.301000  4.652000       4.603000  
1 1 1 7  40 7  o 6.528000 2.231000  1.199000       4.463000  
1 1 1 7  40 9  o 8.370000 2.534000  2.380000       5.067000  
1 1 1 7  40 11 o 15.62000 4.604000  -2.793000      9.208000  
1 1 1 7  40 13 o 16.47000 4.771000  0.5886000      9.541000  
1 1 1 7  40 15 f 18.55000 4.191000  -1.958000      8.383000  
1 1 1 7  40 17 o 31.85000 3.170000  3.804000       6.340000  
1 1 1 7  40 19 o 15.25000 4.068000  1.527000       8.136000  
1 1 1 7  40 21 o 14.92000 3.974000  -2.413000      7.948000  
1 1 1 7  40 23 o 12.41000 3.034000  4.198000       6.067000  
1 1 1 7  40 25 f 7.573000 3.583000  ?              ?         
1 1 1 7  40 27 o 10.25000 2.975000  -0.5371000     5.949000  
1 1 1 7  41 0  o 18.21000 7.683000  0.000000       0.000000  
1 1 1 7  41 2  o 13.83000 4.496000  -2.600000      8.992000  
1 1 1 7  41 4  o 15.42000 4.699000  0.5226000      9.397000  
1 1 1 7  41 6  o 20.44000 4.961000  -1.840000      9.922000  
1 1 1 7  41 8  f 20.22000 4.924000  -4.993000      9.849000  
1 1 1 7  41 10 o 16.86000 4.440000  7.411000       8.879000  
1 1 1 7  41 12 o 12.24000 3.819000  -2.967000      7.637000  
1 1 1 7  41 14 o 38.39000 2.804000  -1.819000      5.608000  
1 1 1 7  41 16 o 27.71000 3.531000  -5.571000      7.062000  
1 1 1 7  41 18 o 14.53000 4.122000  -0.3802000     8.244000  
1 1 1 7  41 20 o 8.486000 2.720000  -0.2260000     5.440000  
1 1 1 7  41 22 o 8.858000 2.797000  2.584000       5.595000  
1 1 1 7  41 24 o 39.00000 1.336000  -7.324000      2.671000  
1 1 1 7  42 1  o 20.40000 5.477000  -0.7287000     10.95000  
1 1 1 7  42 3  o 19.70000 5.233000  0.1888000E-03  10.47000  
1 1 1 7  42 5  o 22.67000 4.853000  5.590000       9.706000  
1 1 1 7  42 7  f 13.57000 3.970000  -2.371000      7.939000  
1 1 1 7  42 9  o 17.98000 4.013000  -11.30000      8.025000  
1 1 1 7  42 11 o 29.62000 3.179000  1.299000       6.358000  
1 1 1 7  42 13 o 34.27000 2.949000  2.157000       5.899000  
1 1 1 7  42 15 o 16.10000 4.078000  3.417000       8.156000  
1 1 1 7  42 17 o 15.08000 4.128000  -3.786000      8.256000  
1 1 1 7  42 19 o 7.822000 2.612000  2.042000       5.223000  
1 1 1 7  42 21 o 6.663000 2.295000  3.754000       4.589000  
1 1 1 7  42 23 o 7.484000 2.746000  5.347000       5.493000  
1 1 1 7  43 0  o 21.21000 6.076000  0.000000       0.000000  
1 1 1 7  43 2  o 27.54000 4.334000  16.78000       8.668000  
1 1 1 7  43 4  o 23.36000 4.674000  2.915000       9.348000  
1 1 1 7  43 6  o 14.26000 4.281000  0.5858000E-01  8.563000  
1 1 1 7  43 8  o 19.66000 4.010000  -8.940000      8.021000  
1 1 1 7  43 10 o 13.99000 4.067000  -1.293000      8.134000  
1 1 1 7  43 12 o 12.73000 3.803000  -0.8768000E-01 7.605000  
1 1 1 7  43 14 o 14.20000 3.997000  -0.9940000E-01 7.994000  
1 1 1 7  43 16 o 7.173000 2.421000  1.926000       4.843000  
1 1 1 7  43 18 o 9.235000 3.174000  -1.796000      6.348000  
1 1 1 7  43 20 o 15.42000 3.571000  3.979000       7.143000  
1 1 1 7  44 1  o 16.46000 4.460000  -0.1008000     8.920000  
1 1 1 7  44 3  o 23.25000 4.449000  1.658000       8.898000  
1 1 1 7  44 5  o 21.70000 4.566000  -1.008000      9.132000  
1 1 1 7  44 7  o 16.74000 4.803000  -2.119000      9.607000  
1 1 1 7  44 9  o 12.88000 3.992000  -1.596000      7.984000  
1 1 1 7  44 11 o 9.491000 2.925000  -0.8257000     5.849000  
1 1 1 7  44 13 o 7.100000 2.424000  1.583000       4.848000  
1 1 1 7  44 15 o 6.439000 3.232000  ?              ?         
1 1 1 7  44 17 o 31.36000 1.417000  0.9871000E-01  2.835000  
1 1 1 7  44 19 o 21.80000 4.191000  4.526000       8.382000  
1 1 1 7  45 0  o 8.426000 3.801000  0.000000       0.000000  
1 1 1 7  45 2  o 10.85000 3.010000  -0.7698000     6.021000  
1 1 1 7  45 4  o 10.77000 3.017000  -0.2087000     6.035000  
1 1 1 7  45 6  o 14.90000 3.239000  2.755000       6.479000  
1 1 1 7  45 8  o 10.69000 2.966000  3.734000       5.933000  
1 1 1 7  45 10 o 7.335000 2.488000  3.093000       4.977000  
1 1 1 7  45 12 o 6.825000 2.273000  -1.577000      4.545000  
1 1 1 7  45 14 o 27.47000 2.151000  7.766000       4.302000  
1 1 1 7  45 16 o 14.48000 4.936000  ?              ?         
1 1 1 7  46 1  o 8.024000 2.755000  1.123000       5.511000  
1 1 1 7  46 3  o 6.690000 2.323000  -0.4069000E-01 4.645000  
1 1 1 7  46 7  o 13.62000 2.693000  -1.166000      5.386000  
1 1 1 7  46 9  o 40.18000 1.379000  1.297000       2.757000  
1 1 1 7  46 11 o 5.554000 1.917000  -0.1275000     3.834000  
1 1 1 7  47 0  o 31.67000 2.556000  0.000000       0.000000  
1 1 1 7  47 2  o 18.59000 3.340000  -1.662000      6.679000  
1 1 1 7  47 4  o 6.394000 2.183000  1.639000       4.367000  
1 1 1 7  47 6  o 13.35000 4.294000  ?              ?         
1 1 1 8  0  0  o 98.53000 2.524000  0.000000       0.000000  
1 1 1 8  0  2  o 15.72000 0.5896000 0.000000       0.000000  
1 1 1 8  0  4  o 115.4000 2.085000  0.000000       0.000000  
1 1 1 8  0  6  o 91.35000 1.660000  0.000000       0.000000  
1 1 1 8  0  8  o 101.3000 2.116000  0.000000       0.000000  
1 1 1 8  0  10 o 9.809000 1.303000  0.000000       0.000000  
1 1 1 8  0  12 o 112.2000 2.346000  0.000000       0.000000  
1 1 1 8  0  14 o 69.68000 1.296000  0.000000       0.000000  
1 1 1 8  0  16 o 34.95000 0.8168000 0.000000       0.000000  
1 1 1 8  0  18 o 20.55000 0.8763000 0.000000       0.000000  
1 1 1 8  0  20 o 28.40000 0.9184000 0.000000       0.000000  
1 1 1 8  0  22 o 5.820000 2.663000  0.000000       0.000000  
1 1 1 8  0  24 o 142.1000 2.640000  0.000000       0.000000  
1 1 1 8  0  26 o 26.52000 1.439000  0.000000       0.000000  
1 1 1 8  0  28 o 16.58000 1.867000  0.000000       0.000000  
1 1 1 8  0  30 f 13.65000 2.535000  0.000000       0.000000  
1 1 1 8  0  32 o 9.417000 3.093000  0.000000       0.000000  
1 1 1 8  0  34 o 8.124000 3.119000  0.000000       0.000000  
1 1 1 8  0  36 o 10.01000 3.353000  0.000000       0.000000  
1 1 1 8  0  38 o 37.05000 1.544000  0.000000       0.000000  
1 1 1 8  0  44 o 43.68000 3.776000  0.000000       0.000000  
1 1 1 8  0  46 o 69.26000 1.875000  0.000000       0.000000  
1 1 1 8  0  48 o 11.87000 3.368000  0.000000       0.000000  
1 1 1 8  0  50 o 25.65000 1.758000  0.000000       0.000000  
1 1 1 8  1  1  o 117.7000 1.503000  0.8446000      3.006000  
1 1 1 8  1  3  o 84.01000 1.081000  1.118000       2.162000  
1 1 1 8  1  5  o 168.8000 2.152000  0.3995000      4.304000  
1 1 1 8  1  7  o 77.27000 1.228000  -1.844000      2.457000  
1 1 1 8  1  9  o 38.87000 0.7132000 2.126000       1.426000  
1 1 1 8  1  11 f 80.07000 1.272000  -0.2284000     2.544000  
1 1 1 8  1  13 o 43.79000 0.7770000 -0.3542000     1.554000  
1 1 1 8  1  15 o 34.96000 0.6608000 0.7752000      1.322000  
1 1 1 8  1  17 o 53.94000 0.7547000 0.9633000      1.509000  
1 1 1 8  1  19 o 79.40000 1.051000  -0.7048000     2.103000  
1 1 1 8  1  21 o 73.05000 0.9991000 -0.4473000     1.998000  
1 1 1 8  1  23 o 83.31000 1.372000  4.066000       2.744000  
1 1 1 8  1  25 o 73.26000 1.096000  -0.9229000     2.192000  
1 1 1 8  1  27 o 54.88000 1.166000  3.073000       2.333000  
1 1 1 8  1  29 f 28.36000 0.9374000 -0.6648000     1.875000  
1 1 1 8  1  31 o 60.98000 1.044000  2.677000       2.088000  
1 1 1 8  1  33 o 8.508000 2.199000  -0.4936000     4.399000  
1 1 1 8  1  35 o 42.94000 1.001000  -0.6420000     2.002000  
1 1 1 8  1  37 o 11.77000 2.117000  -0.1064000     4.235000  
1 1 1 8  1  39 o 7.552000 2.211000  0.6289000E-01  4.422000  
1 1 1 8  1  41 o 38.19000 2.137000  3.135000       4.273000  
1 1 1 8  1  43 o 29.87000 2.718000  2.493000       5.437000  
1 1 1 8  1  45 o 10.58000 3.115000  2.454000       6.230000  
1 1 1 8  1  47 o 21.61000 1.960000  -2.383000      3.920000  
1 1 1 8  1  49 o 35.92000 1.310000  1.860000       2.619000  
1 1 1 8  2  0  o 15.30000 0.6188000 0.000000       0.000000  
1 1 1 8  2  2  o 142.2000 1.813000  -0.1450000     3.626000  
1 1 1 8  2  4  o 64.46000 0.8691000 0.8257000      1.738000  
1 1 1 8  2  6  o 28.48000 0.4867000 1.335000       0.9733000 
1 1 1 8  2  8  o 72.36000 1.082000  -1.047000      2.165000  
1 1 1 8  2  10 o 49.60000 0.7246000 0.4639000      1.449000  
1 1 1 8  2  12 o 45.14000 0.7805000 -1.701000      1.561000  
1 1 1 8  2  14 o 28.90000 0.8447000 2.788000       1.689000  
1 1 1 8  2  16 o 76.76000 1.097000  -5.457000      2.194000  
1 1 1 8  2  18 o 35.25000 0.6261000 1.895000       1.252000  
1 1 1 8  2  20 o 49.28000 0.8346000 3.813000       1.669000  
1 1 1 8  2  22 o 87.43000 1.186000  -0.2914000     2.372000  
1 1 1 8  2  24 o 74.71000 1.381000  3.395000       2.761000  
1 1 1 8  2  26 f 148.0000 2.087000  3.106000       4.173000  
1 1 1 8  2  28 o 35.31000 0.8658000 -0.7117000     1.732000  
1 1 1 8  2  30 o 28.42000 1.018000  1.172000       2.036000  
1 1 1 8  2  32 o 28.18000 0.9853000 -1.745000      1.971000  
1 1 1 8  2  34 o 25.38000 1.055000  -1.420000      2.110000  
1 1 1 8  2  36 o 60.20000 1.073000  -0.1389000     2.146000  
1 1 1 8  2  38 o 15.67000 1.750000  0.5055000      3.499000  
1 1 1 8  2  40 o 20.27000 2.137000  3.493000       4.275000  
1 1 1 8  2  42 o 26.50000 2.373000  6.274000       4.745000  
1 1 1 8  2  44 o 13.72000 2.969000  1.233000       5.939000  
1 1 1 8  2  46 o 54.93000 1.563000  6.739000       3.126000  
1 1 1 8  2  48 o 22.56000 1.398000  -1.991000      2.796000  
1 1 1 8  2  50 o 30.32000 2.085000  3.668000       4.170000  
1 1 1 8  3  1  o 24.04000 0.4282000 -0.3261000     0.8563000 
1 1 1 8  3  3  o 88.06000 1.168000  1.020000       2.336000  
1 1 1 8  3  5  o 100.8000 1.340000  -2.173000      2.680000  
1 1 1 8  3  7  o 12.84000 0.6116000 1.695000       1.223000  
1 1 1 8  3  9  o 21.26000 0.5314000 0.1632000      1.063000  
1 1 1 8  3  11 o 80.95000 1.216000  -3.269000      2.431000  
1 1 1 8  3  13 o 66.48000 1.106000  5.107000       2.211000  
1 1 1 8  3  15 o 46.32000 0.7333000 -0.4796000     1.467000  
1 1 1 8  3  17 o 58.58000 0.8444000 -0.6369000     1.689000  
1 1 1 8  3  19 o 16.17000 0.8244000 1.030000       1.649000  
1 1 1 8  3  21 o 79.88000 1.434000  -1.422000      2.869000  
1 1 1 8  3  23 o 85.87000 1.315000  1.125000       2.631000  
1 1 1 8  3  25 o 22.80000 1.214000  2.624000       2.427000  
1 1 1 8  3  27 o 67.66000 1.124000  1.937000       2.248000  
1 1 1 8  3  29 o 68.41000 1.100000  0.4912000      2.200000  
1 1 1 8  3  31 o 14.08000 1.492000  -2.307000      2.985000  
1 1 1 8  3  33 o 20.04000 1.036000  -0.3267000     2.072000  
1 1 1 8  3  35 o 41.36000 0.8808000 -3.050000      1.762000  
1 1 1 8  3  37 o 26.34000 1.139000  5.896000       2.278000  
1 1 1 8  3  39 o 31.20000 1.221000  1.286000       2.441000  
1 1 1 8  3  41 o 15.22000 2.565000  -8.751000      5.130000  
1 1 1 8  3  43 o 6.808000 2.130000  -1.825000      4.261000  
1 1 1 8  3  45 o 32.12000 1.059000  -4.061000      2.118000  
1 1 1 8  3  47 o 37.62000 1.359000  3.223000       2.718000  
1 1 1 8  3  49 o 22.24000 1.507000  -2.321000      3.014000  
1 1 1 8  4  0  o 12.61000 0.8981000 0.000000       0.000000  
1 1 1 8  4  2  o 87.33000 1.159000  1.592000       2.318000  
1 1 1 8  4  4  o 108.8000 1.394000  -0.8712000     2.788000  
1 1 1 8  4  6  o 76.54000 1.143000  -1.476000      2.286000  
1 1 1 8  4  8  o 21.62000 0.6693000 0.4751000      1.339000  
1 1 1 8  4  10 f 60.81000 0.8679000 2.395000       1.736000  
1 1 1 8  4  12 o 21.47000 0.5625000 2.389000       1.125000  
1 1 1 8  4  14 o 41.26000 0.7943000 -0.4977000     1.589000  
1 1 1 8  4  16 o 27.10000 0.6914000 -1.856000      1.383000  
1 1 1 8  4  18 o 40.15000 0.7759000 1.407000       1.552000  
1 1 1 8  4  20 o 113.7000 1.597000  -0.3826000     3.194000  
1 1 1 8  4  22 o 80.72000 1.394000  6.515000       2.789000  
1 1 1 8  4  24 o 27.26000 1.223000  1.482000       2.446000  
1 1 1 8  4  26 o 99.57000 1.610000  5.145000       3.220000  
1 1 1 8  4  28 o 17.23000 1.078000  -2.018000      2.156000  
1 1 1 8  4  30 o 45.49000 0.9843000 1.539000       1.969000  
1 1 1 8  4  32 o 13.11000 1.455000  2.487000       2.910000  
1 1 1 8  4  34 o 62.20000 1.116000  2.410000       2.233000  
1 1 1 8  4  36 o 15.31000 1.835000  -4.687000      3.670000  
1 1 1 8  4  38 o 38.48000 1.150000  -0.6189000     2.299000  
1 1 1 8  4  40 o 16.21000 1.413000  -2.346000      2.825000  
1 1 1 8  4  42 o 31.80000 2.244000  9.010000       4.489000  
1 1 1 8  4  44 o 32.30000 1.123000  -1.488000      2.246000  
1 1 1 8  4  46 o 40.80000 1.273000  6.003000       2.546000  
1 1 1 8  4  48 o 35.51000 1.483000  -2.375000      2.965000  
1 1 1 8  4  50 o 8.613000 2.407000  -6.721000      4.814000  
1 1 1 8  5  1  o 108.4000 1.390000  -2.230000      2.779000  
1 1 1 8  5  3  o 66.74000 0.9449000 1.004000       1.890000  
1 1 1 8  5  5  o 84.44000 1.260000  3.574000       2.519000  
1 1 1 8  5  7  o 46.03000 1.017000  2.528000       2.035000  
1 1 1 8  5  9  o 58.43000 0.8388000 3.654000       1.678000  
1 1 1 8  5  11 o 53.75000 0.7984000 1.296000       1.597000  
1 1 1 8  5  13 o 86.63000 1.220000  1.074000       2.440000  
1 1 1 8  5  15 o 62.78000 0.9257000 1.642000       1.851000  
1 1 1 8  5  17 o 102.4000 1.630000  0.8778000E-01  3.261000  
1 1 1 8  5  19 o 64.74000 1.105000  -0.3712000     2.210000  
1 1 1 8  5  21 o 53.39000 0.9733000 -3.236000      1.947000  
1 1 1 8  5  23 o 147.4000 2.947000  0.5222000      5.894000  
1 1 1 8  5  25 o 40.62000 1.109000  -3.926000      2.218000  
1 1 1 8  5  27 o 26.61000 0.8408000 -1.699000      1.682000  
1 1 1 8  5  29 o 69.21000 1.150000  -2.056000      2.299000  
1 1 1 8  5  31 o 53.01000 0.8769000 -5.298000      1.754000  
1 1 1 8  5  33 o 32.91000 0.8363000 5.095000       1.673000  
1 1 1 8  5  35 o 40.02000 0.8373000 3.921000       1.675000  
1 1 1 8  5  37 f 34.91000 0.9025000 -1.095000      1.805000  
1 1 1 8  5  39 o 7.838000 1.805000  1.299000       3.610000  
1 1 1 8  5  41 o 26.84000 1.130000  3.358000       2.261000  
1 1 1 8  5  43 o 14.35000 2.277000  6.897000       4.554000  
1 1 1 8  5  45 o 14.69000 1.898000  1.033000       3.796000  
1 1 1 8  5  47 o 27.98000 1.067000  0.8091000      2.133000  
1 1 1 8  5  49 o 7.916000 2.609000  6.367000       5.217000  
1 1 1 8  6  0  o 94.03000 1.982000  0.000000       0.000000  
1 1 1 8  6  2  o 102.0000 1.518000  4.090000       3.036000  
1 1 1 8  6  4  o 35.61000 0.6776000 0.9917000      1.355000  
1 1 1 8  6  6  o 45.65000 1.004000  1.372000       2.009000  
1 1 1 8  6  8  o 101.8000 1.605000  -0.2821000     3.210000  
1 1 1 8  6  10 o 69.58000 1.067000  2.903000       2.134000  
1 1 1 8  6  12 o 71.54000 1.359000  5.170000       2.717000  
1 1 1 8  6  14 o 94.00000 1.412000  -0.5215000     2.823000  
1 1 1 8  6  16 o 64.61000 1.343000  3.014000       2.686000  
1 1 1 8  6  18 o 67.55000 1.125000  -2.966000      2.250000  
1 1 1 8  6  20 o 74.36000 1.873000  -8.701000      3.745000  
1 1 1 8  6  22 o 59.38000 1.330000  4.614000       2.660000  
1 1 1 8  6  24 o 57.16000 1.144000  -1.334000      2.288000  
1 1 1 8  6  26 o 85.77000 1.251000  1.430000       2.502000  
1 1 1 8  6  28 o 103.4000 1.621000  -4.241000      3.242000  
1 1 1 8  6  30 o 50.47000 1.046000  -1.764000      2.092000  
1 1 1 8  6  32 o 44.40000 1.072000  -3.385000      2.144000  
1 1 1 8  6  34 f 13.06000 1.892000  -0.3614000     3.785000  
1 1 1 8  6  36 o 38.72000 1.351000  -1.584000      2.703000  
1 1 1 8  6  38 o 39.35000 1.083000  -1.271000      2.166000  
1 1 1 8  6  40 o 14.88000 2.220000  -0.2337000     4.440000  
1 1 1 8  6  42 o 14.96000 3.053000  6.804000       6.107000  
1 1 1 8  6  44 o 18.18000 2.597000  1.619000       5.194000  
1 1 1 8  6  46 o 30.06000 1.556000  0.8401000      3.111000  
1 1 1 8  6  48 o 23.63000 1.773000  1.162000       3.546000  
1 1 1 8  6  50 o 12.63000 3.852000  5.196000       7.705000  
1 1 1 8  7  1  o 86.81000 1.300000  1.426000       2.601000  
1 1 1 8  7  3  o 64.84000 1.104000  -1.131000      2.208000  
1 1 1 8  7  5  o 74.88000 1.132000  2.643000       2.263000  
1 1 1 8  7  7  o 59.13000 1.027000  1.615000       2.054000  
1 1 1 8  7  9  o 49.14000 0.8155000 1.695000       1.631000  
1 1 1 8  7  11 o 56.20000 0.8398000 -0.3460000     1.680000  
1 1 1 8  7  13 o 23.97000 0.6462000 -0.3944000     1.292000  
1 1 1 8  7  15 o 25.35000 0.5681000 1.759000       1.136000  
1 1 1 8  7  17 o 50.55000 0.9504000 -3.420000      1.901000  
1 1 1 8  7  19 o 53.48000 1.632000  5.932000       3.265000  
1 1 1 8  7  21 o 98.52000 1.384000  -0.4592000     2.769000  
1 1 1 8  7  23 o 42.23000 1.318000  -2.153000      2.637000  
1 1 1 8  7  25 o 113.0000 1.759000  -2.109000      3.518000  
1 1 1 8  7  27 o 49.37000 1.034000  -3.705000      2.069000  
1 1 1 8  7  29 o 55.34000 1.124000  -2.092000      2.249000  
1 1 1 8  7  31 o 43.95000 1.067000  -2.778000      2.135000  
1 1 1 8  7  33 o 27.79000 1.142000  1.322000       2.285000  
1 1 1 8  7  35 o 45.69000 1.285000  -2.067000      2.570000  
1 1 1 8  7  37 o 14.90000 1.861000  2.893000       3.723000  
1 1 1 8  7  39 o 16.14000 1.914000  -1.326000      3.827000  
1 1 1 8  7  41 o 38.73000 1.566000  -3.620000      3.133000  
1 1 1 8  7  43 o 7.598000 2.358000  1.318000       4.717000  
1 1 1 8  7  45 o 16.00000 2.414000  3.996000       4.827000  
1 1 1 8  7  47 o 48.98000 1.460000  3.546000       2.919000  
1 1 1 8  7  49 o 41.17000 2.657000  2.088000       5.314000  
1 1 1 8  8  0  o 35.56000 0.8037000 0.000000       0.000000  
1 1 1 8  8  2  o 66.25000 1.012000  0.8931000E-01  2.025000  
1 1 1 8  8  4  o 100.1000 1.680000  3.909000       3.360000  
1 1 1 8  8  6  o 32.73000 0.7336000 -0.8770000     1.467000  
1 1 1 8  8  8  o 63.75000 1.062000  0.9267000      2.125000  
1 1 1 8  8  10 o 45.63000 0.8590000 -1.024000      1.718000  
1 1 1 8  8  12 o 24.76000 0.6849000 -2.139000      1.370000  
1 1 1 8  8  14 o 92.99000 1.315000  0.4004000      2.629000  
1 1 1 8  8  16 o 64.83000 0.9051000 -1.514000      1.810000  
1 1 1 8  8  18 o 214.6000 3.375000  6.546000       6.750000  
1 1 1 8  8  20 o 102.5000 1.432000  4.409000       2.864000  
1 1 1 8  8  22 o 23.16000 1.631000  -1.801000      3.262000  
1 1 1 8  8  24 o 50.26000 1.172000  -1.142000      2.344000  
1 1 1 8  8  26 o 35.75000 1.115000  2.038000       2.230000  
1 1 1 8  8  28 o 15.81000 1.566000  -0.7051000     3.131000  
1 1 1 8  8  30 o 17.32000 1.483000  0.3649000      2.966000  
1 1 1 8  8  32 o 18.65000 1.329000  -2.605000      2.659000  
1 1 1 8  8  34 o 62.58000 2.380000  -2.194000      4.759000  
1 1 1 8  8  36 o 43.31000 1.089000  -2.837000      2.177000  
1 1 1 8  8  38 o 24.41000 1.254000  -4.058000      2.509000  
1 1 1 8  8  40 o 8.660000 2.303000  0.7662000      4.607000  
1 1 1 8  8  42 f 14.24000 3.750000  -5.249000      7.501000  
1 1 1 8  8  44 o 45.22000 1.343000  -3.790000      2.687000  
1 1 1 8  8  46 o 8.148000 2.361000  -0.1534000     4.723000  
1 1 1 8  8  48 o 16.22000 2.591000  8.427000       5.182000  
1 1 1 8  9  1  o 73.17000 1.247000  0.7308000      2.495000  
1 1 1 8  9  3  o 78.95000 1.347000  -0.6528000     2.694000  
1 1 1 8  9  5  o 36.46000 0.9120000 -2.648000      1.824000  
1 1 1 8  9  7  o 89.40000 1.432000  -1.085000      2.864000  
1 1 1 8  9  9  o 25.83000 0.6929000 -1.736000      1.386000  
1 1 1 8  9  11 o 17.21000 1.847000  -4.778000      3.693000  
1 1 1 8  9  13 o 84.84000 1.118000  0.4454000E-01  2.237000  
1 1 1 8  9  15 o 86.22000 1.144000  -0.6767000     2.289000  
1 1 1 8  9  17 o 11.52000 0.9775000 1.322000       1.955000  
1 1 1 8  9  19 o 92.98000 1.465000  -1.367000      2.931000  
1 1 1 8  9  21 o 48.63000 1.104000  -3.808000      2.207000  
1 1 1 8  9  23 o 99.52000 1.660000  -5.345000      3.320000  
1 1 1 8  9  25 o 41.62000 1.041000  1.748000       2.082000  
1 1 1 8  9  27 o 49.56000 1.054000  -1.529000      2.107000  
1 1 1 8  9  29 o 29.24000 1.073000  -0.4202000     2.146000  
1 1 1 8  9  31 o 46.62000 1.235000  -1.741000      2.470000  
1 1 1 8  9  33 o 26.79000 1.468000  -2.406000      2.935000  
1 1 1 8  9  35 o 32.76000 1.066000  0.3418000E-01  2.131000  
1 1 1 8  9  37 o 28.82000 1.145000  0.9118000      2.290000  
1 1 1 8  9  39 o 24.54000 1.381000  2.574000       2.761000  
1 1 1 8  9  41 o 54.45000 1.683000  3.016000       3.365000  
1 1 1 8  9  43 o 17.28000 2.384000  -3.161000      4.767000  
1 1 1 8  9  45 f 20.12000 2.398000  -1.809000      4.797000  
1 1 1 8  9  47 o 46.43000 1.648000  0.2088000      3.296000  
1 1 1 8  9  49 o 28.41000 1.432000  5.167000       2.864000  
1 1 1 8  10 0  o 34.60000 1.189000  0.000000       0.000000  
1 1 1 8  10 2  o 27.02000 0.7346000 -0.2472000     1.469000  
1 1 1 8  10 4  o 28.31000 0.7619000 -0.7197000     1.524000  
1 1 1 8  10 6  o 17.96000 0.9448000 -3.672000      1.890000  
1 1 1 8  10 8  f 42.65000 0.7127000 -0.9643000     1.425000  
1 1 1 8  10 10 o 40.99000 0.9437000 -2.085000      1.887000  
1 1 1 8  10 12 o 66.45000 0.9542000 0.4558000      1.908000  
1 1 1 8  10 14 o 128.3000 1.796000  3.023000       3.592000  
1 1 1 8  10 16 o 83.87000 1.120000  2.694000       2.239000  
1 1 1 8  10 18 o 103.0000 1.583000  3.981000       3.167000  
1 1 1 8  10 20 o 86.66000 1.224000  -2.385000      2.448000  
1 1 1 8  10 22 o 80.37000 1.466000  -3.554000      2.932000  
1 1 1 8  10 24 o 86.76000 1.604000  1.868000       3.208000  
1 1 1 8  10 26 o 94.21000 1.504000  -2.111000      3.009000  
1 1 1 8  10 28 o 21.97000 1.137000  0.3510000      2.273000  
1 1 1 8  10 30 o 45.68000 1.195000  2.915000       2.389000  
1 1 1 8  10 32 o 20.73000 1.324000  1.886000       2.649000  
1 1 1 8  10 34 o 36.34000 1.037000  -2.944000      2.073000  
1 1 1 8  10 36 o 33.83000 1.022000  -3.000000      2.044000  
1 1 1 8  10 38 o 17.03000 1.624000  0.3792000      3.248000  
1 1 1 8  10 40 o 20.87000 1.808000  -4.021000      3.616000  
1 1 1 8  10 42 o 39.89000 3.070000  -13.34000      6.141000  
1 1 1 8  10 44 o 38.10000 1.359000  -4.453000      2.719000  
1 1 1 8  10 46 f 23.17000 2.184000  9.603000       4.369000  
1 1 1 8  10 48 o 38.39000 2.051000  2.541000       4.103000  
1 1 1 8  11 1  o 28.13000 0.7141000 0.7414000      1.428000  
1 1 1 8  11 3  o 36.44000 0.6668000 1.200000       1.334000  
1 1 1 8  11 5  o 84.34000 1.113000  0.8557000      2.225000  
1 1 1 8  11 7  o 57.27000 0.8043000 -0.6847000E-01 1.609000  
1 1 1 8  11 9  o 29.29000 0.7178000 -0.6722000     1.436000  
1 1 1 8  11 11 o 79.52000 1.105000  0.4396000      2.210000  
1 1 1 8  11 13 f 59.66000 0.8883000 1.004000       1.777000  
1 1 1 8  11 15 o 77.92000 1.098000  0.5471000      2.195000  
1 1 1 8  11 17 o 50.43000 0.9597000 -1.532000      1.919000  
1 1 1 8  11 19 f 118.2000 1.689000  1.997000       3.379000  
1 1 1 8  11 21 o 70.07000 1.721000  2.272000       3.442000  
1 1 1 8  11 23 o 79.26000 1.365000  5.332000       2.731000  
1 1 1 8  11 25 o 22.70000 0.9879000 -2.341000      1.976000  
1 1 1 8  11 27 o 14.78000 1.539000  0.1525000      3.078000  
1 1 1 8  11 29 o 30.22000 1.158000  -0.6115000     2.315000  
1 1 1 8  11 31 f 43.19000 1.066000  0.6548000      2.133000  
1 1 1 8  11 33 f 8.967000 2.155000  -2.213000      4.309000  
1 1 1 8  11 35 o 30.46000 1.100000  -0.2835000     2.201000  
1 1 1 8  11 37 o 25.58000 1.171000  -0.7275000     2.342000  
1 1 1 8  11 39 o 51.45000 1.297000  -2.249000      2.594000  
1 1 1 8  11 41 o 29.02000 2.012000  -6.810000      4.024000  
1 1 1 8  11 43 o 18.23000 2.219000  5.297000       4.439000  
1 1 1 8  11 45 f 29.55000 1.488000  -4.219000      2.976000  
1 1 1 8  11 47 o 11.12000 2.512000  3.171000       5.023000  
1 1 1 8  11 49 o 11.05000 3.497000  3.809000       6.995000  
1 1 1 8  12 0  o 18.17000 1.432000  0.000000       0.000000  
1 1 1 8  12 2  o 8.963000 1.539000  -0.1372000     3.078000  
1 1 1 8  12 4  o 69.82000 1.022000  0.2870000      2.043000  
1 1 1 8  12 6  o 86.66000 1.142000  -1.691000      2.284000  
1 1 1 8  12 8  o 48.64000 0.7477000 0.4379000      1.495000  
1 1 1 8  12 10 o 51.39000 0.8493000 1.379000       1.699000  
1 1 1 8  12 12 o 33.24000 1.112000  1.299000       2.224000  
1 1 1 8  12 14 o 113.2000 1.529000  3.019000       3.059000  
1 1 1 8  12 16 o 82.93000 1.223000  2.846000       2.446000  
1 1 1 8  12 18 o 56.57000 1.460000  -5.411000      2.920000  
1 1 1 8  12 20 o 58.26000 1.947000  7.202000       3.894000  
1 1 1 8  12 22 o 82.76000 1.540000  -3.854000      3.081000  
1 1 1 8  12 24 o 38.34000 1.097000  3.683000       2.194000  
1 1 1 8  12 26 o 88.51000 1.646000  0.9996000      3.292000  
1 1 1 8  12 28 o 20.50000 1.234000  2.887000       2.469000  
1 1 1 8  12 30 o 75.00000 1.342000  0.6378000E-01  2.684000  
1 1 1 8  12 32 o 66.10000 1.229000  -0.6636000     2.458000  
1 1 1 8  12 34 o 29.70000 1.172000  4.666000       2.344000  
1 1 1 8  12 36 o 25.08000 1.189000  -0.1130000     2.378000  
1 1 1 8  12 38 o 26.93000 1.212000  -1.294000      2.424000  
1 1 1 8  12 40 o 47.25000 1.508000  -1.268000      3.015000  
1 1 1 8  12 42 o 28.96000 4.746000  -15.23000      9.493000  
1 1 1 8  12 44 o 29.94000 1.418000  2.072000       2.836000  
1 1 1 8  12 46 o 23.57000 1.763000  3.241000       3.527000  
1 1 1 8  12 48 o 20.08000 3.619000  -14.09000      7.238000  
1 1 1 8  13 1  o 48.75000 0.8088000 0.8946000      1.618000  
1 1 1 8  13 3  f 47.21000 0.8043000 -1.041000      1.609000  
1 1 1 8  13 5  o 149.1000 2.065000  3.558000       4.131000  
1 1 1 8  13 7  o 95.36000 1.255000  -0.5466000     2.509000  
1 1 1 8  13 9  o 14.31000 1.244000  1.786000       2.489000  
1 1 1 8  13 11 o 53.31000 0.8482000 -2.082000      1.696000  
1 1 1 8  13 13 o 36.67000 0.9566000 -1.402000      1.913000  
1 1 1 8  13 15 o 85.97000 1.221000  2.715000       2.442000  
1 1 1 8  13 17 o 102.3000 1.441000  0.8601000      2.882000  
1 1 1 8  13 19 o 88.70000 1.455000  2.463000       2.910000  
1 1 1 8  13 21 o 47.42000 1.246000  -2.390000      2.492000  
1 1 1 8  13 23 o 98.07000 2.503000  7.811000       5.006000  
1 1 1 8  13 25 o 74.13000 1.549000  4.855000       3.098000  
1 1 1 8  13 27 o 43.72000 1.130000  -0.3493000     2.261000  
1 1 1 8  13 29 o 24.39000 1.038000  -0.1924000     2.075000  
1 1 1 8  13 31 o 9.433000 1.943000  -1.359000      3.887000  
1 1 1 8  13 33 o 16.05000 1.475000  2.410000       2.950000  
1 1 1 8  13 35 o 17.46000 1.508000  0.3599000      3.015000  
1 1 1 8  13 37 o 22.88000 1.314000  1.754000       2.627000  
1 1 1 8  13 39 o 49.43000 1.487000  1.886000       2.973000  
1 1 1 8  13 41 o 21.46000 2.286000  -1.704000      4.572000  
1 1 1 8  13 43 o 8.973000 2.425000  -0.7138000     4.849000  
1 1 1 8  13 45 o 12.65000 2.558000  -2.684000      5.117000  
1 1 1 8  13 47 o 8.359000 2.413000  1.433000       4.826000  
1 1 1 8  14 0  o 13.16000 1.776000  0.000000       0.000000  
1 1 1 8  14 2  o 70.71000 1.046000  0.7085000E-01  2.093000  
1 1 1 8  14 4  o 41.72000 0.7794000 0.8856000      1.559000  
1 1 1 8  14 6  o 72.53000 1.079000  0.1225000      2.158000  
1 1 1 8  14 8  o 85.44000 1.235000  0.8057000      2.470000  
1 1 1 8  14 10 o 91.09000 1.212000  0.7031000      2.425000  
1 1 1 8  14 12 o 26.73000 0.8581000 -0.9248000     1.716000  
1 1 1 8  14 14 o 115.2000 1.572000  0.4041000      3.143000  
1 1 1 8  14 16 o 6.010000 1.995000  0.4322000      3.991000  
1 1 1 8  14 18 o 64.80000 2.076000  -2.783000      4.152000  
1 1 1 8  14 20 o 47.56000 1.080000  2.239000       2.161000  
1 1 1 8  14 22 o 45.67000 0.9688000 0.3642000      1.938000  
1 1 1 8  14 24 o 35.01000 1.688000  2.885000       3.377000  
1 1 1 8  14 26 o 32.39000 1.740000  4.501000       3.481000  
1 1 1 8  14 28 o 34.93000 1.847000  -5.532000      3.694000  
1 1 1 8  14 30 o 15.41000 3.077000  0.8531000      6.155000  
1 1 1 8  14 32 f 31.51000 1.026000  1.072000       2.052000  
1 1 1 8  14 34 o 32.14000 1.042000  -3.861000      2.083000  
1 1 1 8  14 36 o 18.91000 1.508000  -0.3369000     3.017000  
1 1 1 8  14 38 o 21.16000 1.615000  0.8454000      3.229000  
1 1 1 8  14 40 o 51.33000 1.659000  -2.849000      3.318000  
1 1 1 8  14 42 o 26.70000 1.481000  -2.131000      2.962000  
1 1 1 8  14 44 o 15.71000 2.286000  -1.840000      4.572000  
1 1 1 8  14 46 o 22.00000 1.797000  -2.366000      3.595000  
1 1 1 8  14 48 o 9.616000 2.952000  -2.777000      5.903000  
1 1 1 8  15 1  o 86.18000 1.150000  -1.233000      2.300000  
1 1 1 8  15 3  o 77.01000 1.044000  3.021000       2.088000  
1 1 1 8  15 5  o 148.1000 2.062000  -0.2709000     4.124000  
1 1 1 8  15 7  o 21.30000 1.079000  1.497000       2.159000  
1 1 1 8  15 9  o 124.8000 1.750000  0.4477000      3.500000  
1 1 1 8  15 11 o 41.21000 0.8807000 -4.152000      1.761000  
1 1 1 8  15 13 f 126.1000 1.717000  4.246000       3.435000  
1 1 1 8  15 15 o 103.9000 1.465000  -0.5393000     2.931000  
1 1 1 8  15 17 o 35.23000 1.286000  -4.646000      2.571000  
1 1 1 8  15 19 o 112.7000 1.637000  1.426000       3.275000  
1 1 1 8  15 21 o 104.1000 2.175000  5.544000       4.351000  
1 1 1 8  15 23 o 108.0000 1.584000  5.288000       3.169000  
1 1 1 8  15 25 o 56.01000 2.131000  12.55000       4.263000  
1 1 1 8  15 27 o 17.68000 3.286000  2.096000       6.572000  
1 1 1 8  15 29 o 20.55000 3.778000  0.9735000      7.556000  
1 1 1 8  15 31 o 19.09000 3.598000  5.348000       7.196000  
1 1 1 8  15 33 o 23.49000 4.385000  6.196000       8.770000  
1 1 1 8  15 35 o 31.49000 4.625000  -11.62000      9.250000  
1 1 1 8  15 37 o 40.41000 2.947000  -1.341000      5.895000  
1 1 1 8  15 39 f 26.76000 3.891000  ?              ?         
1 1 1 8  15 41 o 9.421000 2.548000  -1.789000      5.097000  
1 1 1 8  15 43 o 33.11000 1.382000  7.125000       2.764000  
1 1 1 8  15 45 o 22.02000 1.857000  1.535000       3.714000  
1 1 1 8  15 47 o 15.21000 4.176000  ?              ?         
1 1 1 8  16 0  o 130.1000 2.395000  0.000000       0.000000  
1 1 1 8  16 2  o 90.11000 1.315000  -3.549000      2.630000  
1 1 1 8  16 4  o 66.82000 0.9719000 -0.7933000     1.944000  
1 1 1 8  16 6  f 62.32000 1.021000  -2.039000      2.042000  
1 1 1 8  16 8  o 83.33000 1.241000  2.379000       2.483000  
1 1 1 8  16 10 o 50.21000 0.9416000 -2.554000      1.883000  
1 1 1 8  16 12 o 17.33000 1.355000  2.440000       2.710000  
1 1 1 8  16 14 o 154.1000 2.086000  0.3824000E-01  4.171000  
1 1 1 8  16 16 o 6.199000 3.071000  ?              ?         
1 1 1 8  16 18 o 109.5000 1.944000  -0.3678000     3.887000  
1 1 1 8  16 20 o 17.49000 1.652000  -5.700000      3.305000  
1 1 1 8  16 22 o 60.75000 1.234000  -0.4571000     2.467000  
1 1 1 8  16 24 o 77.08000 1.308000  4.734000       2.616000  
1 1 1 8  16 26 o 33.30000 2.482000  6.033000       4.965000  
1 1 1 8  16 28 o 36.05000 2.921000  -11.50000      5.841000  
1 1 1 8  16 30 o 22.01000 4.429000  4.341000       8.858000  
1 1 1 8  16 32 o 29.59000 4.550000  -10.18000      9.101000  
1 1 1 8  16 34 o 21.73000 3.167000  4.546000       6.335000  
1 1 1 8  16 36 o 21.44000 3.611000  1.792000       7.222000  
1 1 1 8  16 38 o 74.96000 1.819000  ?              ?         
1 1 1 8  16 40 o 37.74000 2.704000  -7.313000      5.408000  
1 1 1 8  16 42 o 9.838000 2.969000  2.679000       5.938000  
1 1 1 8  16 44 o 30.93000 4.242000  0.1091000      8.484000  
1 1 1 8  16 46 o 19.12000 3.685000  0.1300000      7.370000  
1 1 1 8  17 1  o 79.74000 1.116000  3.238000       2.231000  
1 1 1 8  17 3  o 50.90000 0.8745000 -2.166000      1.749000  
1 1 1 8  17 5  o 102.9000 1.379000  4.601000       2.757000  
1 1 1 8  17 7  o 29.92000 1.050000  -2.392000      2.101000  
1 1 1 8  17 9  o 24.18000 1.166000  2.871000       2.332000  
1 1 1 8  17 11 o 112.9000 1.621000  4.154000       3.243000  
1 1 1 8  17 13 o 116.2000 2.042000  -7.223000      4.085000  
1 1 1 8  17 15 o 102.8000 1.932000  -2.197000      3.863000  
1 1 1 8  17 17 o 50.72000 1.574000  ?              ?         
1 1 1 8  17 19 o 27.81000 1.219000  2.685000       2.439000  
1 1 1 8  17 21 o 24.73000 1.171000  -1.749000      2.342000  
1 1 1 8  17 23 o 38.33000 2.590000  -8.560000      5.180000  
1 1 1 8  17 25 o 39.79000 0.9478000 0.3480000      1.896000  
1 1 1 8  17 27 o 90.90000 1.842000  ?              ?         
1 1 1 8  17 29 o 17.63000 4.359000  5.156000       8.718000  
1 1 1 8  17 31 o 20.99000 3.216000  -9.248000      6.433000  
1 1 1 8  17 33 o 28.95000 3.732000  -11.65000      7.463000  
1 1 1 8  17 35 o 66.34000 1.901000  6.463000       3.802000  
1 1 1 8  17 37 o 35.29000 3.975000  -8.993000      7.950000  
1 1 1 8  17 39 o 59.11000 1.625000  ?              ?         
1 1 1 8  17 41 o 23.00000 4.171000  -0.8201000     8.343000  
1 1 1 8  17 43 o 19.36000 4.248000  6.195000       8.495000  
1 1 1 8  17 45 o 22.03000 3.553000  -6.794000      7.105000  
1 1 1 8  17 47 o 11.25000 3.528000  4.186000       7.057000  
1 1 1 8  18 0  o 29.23000 1.631000  0.000000       0.000000  
1 1 1 8  18 2  o 149.2000 1.939000  -2.921000      3.878000  
1 1 1 8  18 4  o 70.36000 1.050000  -1.428000      2.100000  
1 1 1 8  18 6  o 167.2000 2.341000  -7.135000      4.682000  
1 1 1 8  18 8  o 78.73000 1.159000  -2.684000      2.318000  
1 1 1 8  18 10 o 13.52000 2.706000  -8.656000      5.412000  
1 1 1 8  18 12 o 69.59000 1.302000  0.4456000      2.603000  
1 1 1 8  18 14 o 128.7000 2.558000  1.895000       5.116000  
1 1 1 8  18 16 o 8.624000 2.624000  2.153000       5.249000  
1 1 1 8  18 18 o 71.81000 1.458000  6.518000       2.916000  
1 1 1 8  18 20 o 24.16000 1.552000  -3.989000      3.104000  
1 1 1 8  18 22 o 43.21000 1.129000  -5.179000      2.257000  
1 1 1 8  18 24 o 9.384000 2.061000  2.403000       4.122000  
1 1 1 8  18 26 o 65.31000 1.347000  -2.491000      2.694000  
1 1 1 8  18 28 o 33.63000 2.920000  -4.919000      5.840000  
1 1 1 8  18 30 o 37.30000 2.775000  0.9732000      5.550000  
1 1 1 8  18 32 o 22.08000 3.205000  2.807000       6.409000  
1 1 1 8  18 34 o 23.80000 3.617000  -1.138000      7.234000  
1 1 1 8  18 36 o 14.60000 3.220000  -1.578000      6.439000  
1 1 1 8  18 38 o 25.73000 3.694000  -16.18000      7.387000  
1 1 1 8  18 40 o 22.35000 4.380000  6.304000       8.759000  
1 1 1 8  18 42 f 24.99000 3.085000  -9.008000      6.170000  
1 1 1 8  18 44 o 26.96000 3.984000  -4.221000      7.967000  
1 1 1 8  18 46 o 29.54000 2.734000  ?              ?         
1 1 1 8  19 1  o 60.24000 1.050000  -3.543000      2.100000  
1 1 1 8  19 3  o 60.83000 1.062000  1.871000       2.125000  
1 1 1 8  19 5  o 65.33000 1.128000  2.629000       2.255000  
1 1 1 8  19 7  o 79.45000 1.214000  -2.336000      2.428000  
1 1 1 8  19 9  o 118.1000 1.620000  -5.059000      3.241000  
1 1 1 8  19 11 o 129.9000 2.154000  -1.116000      4.308000  
1 1 1 8  19 13 o 94.08000 2.800000  ?              ?         
1 1 1 8  19 15 o 70.56000 1.366000  -2.883000      2.732000  
1 1 1 8  19 17 o 85.80000 1.645000  4.046000       3.290000  
1 1 1 8  19 19 o 14.11000 2.318000  2.120000       4.635000  
1 1 1 8  19 21 o 40.46000 1.311000  -1.793000      2.623000  
1 1 1 8  19 23 o 40.20000 1.181000  2.932000       2.362000  
1 1 1 8  19 25 o 59.33000 1.239000  6.772000       2.477000  
1 1 1 8  19 27 o 43.54000 1.007000  2.988000       2.014000  
1 1 1 8  19 29 o 28.23000 3.453000  -2.372000      6.906000  
1 1 1 8  19 31 o 16.13000 3.239000  -1.292000      6.478000  
1 1 1 8  19 33 o 25.65000 3.349000  -0.2964000     6.699000  
1 1 1 8  19 35 o 26.48000 3.457000  -5.215000      6.913000  
1 1 1 8  19 37 o 63.57000 2.279000  -2.433000      4.558000  
1 1 1 8  19 39 o 13.77000 4.196000  9.033000       8.392000  
1 1 1 8  19 41 o 17.44000 2.703000  3.912000       5.407000  
1 1 1 8  19 43 o 20.40000 4.078000  3.418000       8.156000  
1 1 1 8  19 45 o 13.16000 3.964000  -3.774000      7.929000  
1 1 1 8  20 0  o 7.992000 3.546000  0.000000       0.000000  
1 1 1 8  20 2  o 60.13000 1.127000  0.7900000E-02  2.254000  
1 1 1 8  20 4  o 81.64000 1.326000  0.9895000      2.652000  
1 1 1 8  20 6  o 64.22000 1.403000  -2.330000      2.805000  
1 1 1 8  20 8  o 56.30000 1.243000  -4.184000      2.486000  
1 1 1 8  20 10 o 105.4000 1.690000  4.428000       3.381000  
1 1 1 8  20 12 o 68.08000 1.721000  0.5971000      3.443000  
1 1 1 8  20 14 o 48.58000 1.605000  -0.1797000     3.209000  
1 1 1 8  20 16 o 78.24000 1.783000  3.009000       3.565000  
1 1 1 8  20 18 o 42.27000 1.337000  1.414000       2.673000  
1 1 1 8  20 20 o 34.41000 1.358000  0.1196000      2.715000  
1 1 1 8  20 22 o 75.60000 1.346000  1.997000       2.692000  
1 1 1 8  20 24 o 81.52000 1.390000  -3.855000      2.779000  
1 1 1 8  20 26 o 76.51000 1.383000  3.678000       2.767000  
1 1 1 8  20 28 o 12.76000 1.820000  1.493000       3.640000  
1 1 1 8  20 30 o 16.13000 3.307000  -1.305000      6.614000  
1 1 1 8  20 32 o 40.68000 2.295000  -1.030000      4.590000  
1 1 1 8  20 34 o 13.29000 3.662000  5.802000       7.323000  
1 1 1 8  20 36 o 38.58000 5.061000  3.354000       10.12000  
1 1 1 8  20 38 o 22.59000 4.551000  3.474000       9.102000  
1 1 1 8  20 40 o 14.73000 2.537000  -7.474000      5.073000  
1 1 1 8  20 42 o 13.84000 3.722000  3.745000       7.445000  
1 1 1 8  20 44 o 10.26000 3.518000  6.339000       7.036000  
1 1 1 8  21 1  o 106.4000 1.518000  -1.719000      3.036000  
1 1 1 8  21 3  o 64.53000 1.259000  -3.404000      2.517000  
1 1 1 8  21 5  o 30.40000 2.365000  -4.229000      4.731000  
1 1 1 8  21 7  o 105.6000 1.641000  -0.9394000     3.281000  
1 1 1 8  21 9  o 95.90000 1.972000  2.501000       3.943000  
1 1 1 8  21 11 o 63.08000 1.905000  -1.216000      3.809000  
1 1 1 8  21 13 o 32.03000 2.196000  -4.962000      4.393000  
1 1 1 8  21 15 o 48.81000 4.506000  -16.35000      9.012000  
1 1 1 8  21 17 o 26.67000 1.444000  -0.5385000     2.887000  
1 1 1 8  21 19 o 47.11000 1.389000  -2.565000      2.778000  
1 1 1 8  21 21 o 26.28000 1.601000  3.810000       3.201000  
1 1 1 8  21 23 f 18.42000 2.278000  -3.501000      4.556000  
1 1 1 8  21 25 o 46.20000 1.265000  -1.789000      2.530000  
1 1 1 8  21 27 o 30.25000 1.205000  1.201000       2.410000  
1 1 1 8  21 29 o 19.08000 1.455000  2.167000       2.910000  
1 1 1 8  21 31 o 13.61000 3.586000  6.245000       7.173000  
1 1 1 8  21 33 o 15.85000 3.378000  -0.6171000     6.756000  
1 1 1 8  21 35 o 12.97000 4.261000  6.029000       8.523000  
1 1 1 8  21 37 o 7.976000 2.732000  4.494000       5.465000  
1 1 1 8  21 39 o 11.95000 3.750000  7.779000       7.501000  
1 1 1 8  21 41 o 12.26000 3.707000  8.588000       7.414000  
1 1 1 8  21 43 o 12.88000 3.644000  2.480000       7.288000  
1 1 1 8  21 45 o 8.068000 2.579000  -1.185000      5.159000  
1 1 1 8  22 0  o 27.84000 5.454000  0.000000       0.000000  
1 1 1 8  22 2  o 14.50000 3.792000  4.393000       7.583000  
1 1 1 8  22 4  o 65.94000 2.178000  -10.95000      4.357000  
1 1 1 8  22 6  o 76.31000 1.944000  1.038000       3.888000  
1 1 1 8  22 8  o 45.42000 1.679000  1.922000       3.358000  
1 1 1 8  22 10 f 43.25000 1.402000  0.3334000      2.803000  
1 1 1 8  22 12 o 60.87000 1.877000  -9.559000      3.755000  
1 1 1 8  22 14 o 39.57000 1.736000  -1.775000      3.473000  
1 1 1 8  22 16 o 12.27000 2.495000  1.712000       4.990000  
1 1 1 8  22 18 o 33.50000 1.423000  -2.010000      2.846000  
1 1 1 8  22 20 o 33.30000 1.592000  -0.5226000     3.185000  
1 1 1 8  22 22 o 52.93000 1.292000  3.323000       2.584000  
1 1 1 8  22 24 o 48.33000 1.394000  1.745000       2.788000  
1 1 1 8  22 26 o 19.70000 2.076000  1.680000       4.152000  
1 1 1 8  22 28 o 9.014000 2.417000  2.221000       4.834000  
1 1 1 8  22 30 o 45.76000 1.097000  -2.555000      2.195000  
1 1 1 8  22 32 o 21.73000 3.463000  -7.597000      6.925000  
1 1 1 8  22 34 o 13.65000 6.427000  ?              ?         
1 1 1 8  22 36 o 8.329000 2.888000  4.454000       5.777000  
1 1 1 8  22 38 o 17.87000 4.094000  4.913000       8.188000  
1 1 1 8  22 40 o 10.05000 2.738000  0.6022000      5.477000  
1 1 1 8  22 42 o 25.37000 3.864000  -9.805000      7.728000  
1 1 1 8  22 44 o 32.62000 2.481000  14.21000       4.961000  
1 1 1 8  23 1  f 32.17000 2.625000  7.016000       5.250000  
1 1 1 8  23 3  o 142.7000 2.110000  -7.568000      4.219000  
1 1 1 8  23 5  o 57.42000 1.548000  -1.902000      3.096000  
1 1 1 8  23 7  o 74.40000 1.446000  -7.017000      2.892000  
1 1 1 8  23 9  o 101.9000 1.705000  -1.845000      3.411000  
1 1 1 8  23 11 o 90.67000 1.428000  -4.109000      2.856000  
1 1 1 8  23 13 o 41.74000 1.190000  -2.211000      2.380000  
1 1 1 8  23 15 o 32.18000 1.439000  -2.885000      2.879000  
1 1 1 8  23 17 o 58.60000 1.217000  1.053000       2.434000  
1 1 1 8  23 19 o 17.50000 2.566000  2.994000       5.133000  
1 1 1 8  23 21 o 33.95000 1.564000  1.412000       3.127000  
1 1 1 8  23 23 o 40.48000 1.410000  -3.039000      2.820000  
1 1 1 8  23 25 o 36.32000 1.439000  -3.227000      2.878000  
1 1 1 8  23 27 o 17.94000 2.301000  -3.297000      4.602000  
1 1 1 8  23 29 o 11.95000 2.335000  -2.087000      4.669000  
1 1 1 8  23 31 o 13.55000 2.132000  -2.724000      4.264000  
1 1 1 8  23 33 o 17.69000 7.497000  ?              ?         
1 1 1 8  23 35 o 11.62000 3.655000  2.978000       7.310000  
1 1 1 8  23 37 o 15.88000 3.901000  3.282000       7.803000  
1 1 1 8  23 39 o 36.21000 2.057000  4.437000       4.114000  
1 1 1 8  23 41 o 22.34000 3.519000  -6.904000      7.037000  
1 1 1 8  23 43 o 8.099000 2.673000  4.319000       5.346000  
1 1 1 8  24 0  o 16.21000 5.433000  0.000000       0.000000  
1 1 1 8  24 2  o 41.71000 2.196000  -1.479000      4.393000  
1 1 1 8  24 4  o 73.47000 1.894000  ?              ?         
1 1 1 8  24 6  o 49.80000 1.347000  -2.519000      2.694000  
1 1 1 8  24 8  o 34.91000 1.652000  1.634000       3.303000  
1 1 1 8  24 10 o 34.80000 1.382000  -4.827000      2.764000  
1 1 1 8  24 12 o 65.23000 1.204000  -4.615000      2.408000  
1 1 1 8  24 14 o 65.39000 1.239000  -2.305000      2.478000  
1 1 1 8  24 16 o 42.23000 1.308000  2.530000       2.616000  
1 1 1 8  24 18 o 36.34000 1.495000  -2.430000      2.990000  
1 1 1 8  24 20 o 62.76000 1.348000  1.629000       2.695000  
1 1 1 8  24 22 o 55.88000 2.021000  2.348000       4.041000  
1 1 1 8  24 24 o 28.45000 2.027000  -6.181000      4.055000  
1 1 1 8  24 26 o 39.15000 1.407000  0.1169000      2.814000  
1 1 1 8  24 28 o 15.72000 2.569000  -1.708000      5.137000  
1 1 1 8  24 30 o 16.16000 2.107000  -0.1966000     4.214000  
1 1 1 8  24 32 o 13.71000 2.170000  -2.717000      4.340000  
1 1 1 8  24 36 o 15.37000 4.179000  9.997000       8.359000  
1 1 1 8  24 38 o 19.31000 3.399000  0.4141000      6.798000  
1 1 1 8  24 40 o 12.11000 3.613000  6.232000       7.227000  
1 1 1 8  24 42 o 11.17000 4.049000  9.547000       8.099000  
1 1 1 8  25 1  o 14.25000 3.327000  -0.2772000     6.654000  
1 1 1 8  25 3  o 42.16000 1.879000  3.944000       3.759000  
1 1 1 8  25 5  o 42.99000 1.676000  -0.2555000     3.352000  
1 1 1 8  25 7  o 105.4000 1.927000  -3.435000      3.855000  
1 1 1 8  25 9  o 61.61000 1.477000  -4.698000      2.953000  
1 1 1 8  25 11 o 13.67000 3.505000  -3.349000      7.010000  
1 1 1 8  25 13 o 23.85000 2.023000  0.3194000      4.045000  
1 1 1 8  25 15 o 35.03000 1.422000  -0.5929000     2.843000  
1 1 1 8  25 17 o 10.94000 2.915000  -2.437000      5.829000  
1 1 1 8  25 19 o 67.26000 1.273000  -0.8621000E-03 2.545000  
1 1 1 8  25 21 o 32.14000 1.540000  2.203000       3.081000  
1 1 1 8  25 23 o 20.52000 3.936000  1.167000       7.873000  
1 1 1 8  25 25 o 26.68000 2.328000  -5.846000      4.655000  
1 1 1 8  25 27 o 28.33000 1.879000  -1.786000      3.758000  
1 1 1 8  25 29 o 10.07000 2.844000  4.244000       5.687000  
1 1 1 8  25 31 o 24.97000 2.982000  -12.41000      5.964000  
1 1 1 8  25 33 o 27.12000 1.947000  -4.344000      3.895000  
1 1 1 8  25 35 f 21.33000 4.069000  -0.6601000     8.137000  
1 1 1 8  25 37 o 19.82000 3.340000  -1.319000      6.680000  
1 1 1 8  25 39 o 14.04000 4.635000  10.35000       9.269000  
1 1 1 8  25 41 o 14.26000 4.435000  7.541000       8.871000  
1 1 1 8  26 0  o 23.22000 3.248000  0.000000       0.000000  
1 1 1 8  26 2  o 83.16000 1.578000  -3.410000      3.155000  
1 1 1 8  26 4  o 104.5000 2.004000  -11.57000      4.007000  
1 1 1 8  26 6  o 85.90000 1.456000  -1.457000      2.912000  
1 1 1 8  26 8  o 145.8000 2.108000  7.395000       4.215000  
1 1 1 8  26 10 o 43.19000 1.832000  -1.470000      3.665000  
1 1 1 8  26 12 o 11.63000 3.407000  -0.8569000     6.815000  
1 1 1 8  26 14 o 15.34000 3.698000  2.486000       7.395000  
1 1 1 8  26 16 o 47.79000 1.697000  0.7360000      3.394000  
1 1 1 8  26 18 o 30.96000 2.181000  -2.572000      4.363000  
1 1 1 8  26 20 o 63.01000 1.557000  2.660000       3.115000  
1 1 1 8  26 22 o 28.92000 2.408000  -1.119000      4.816000  
1 1 1 8  26 24 o 20.06000 4.030000  -5.559000      8.060000  
1 1 1 8  26 26 o 10.72000 3.213000  0.1595000      6.427000  
1 1 1 8  26 28 o 45.84000 1.661000  4.441000       3.322000  
1 1 1 8  26 30 o 15.57000 3.354000  11.19000       6.708000  
1 1 1 8  26 32 o 9.739000 4.743000  ?              ?         
1 1 1 8  26 34 o 36.52000 2.367000  0.2672000      4.734000  
1 1 1 8  26 36 o 28.66000 3.204000  -5.309000      6.408000  
1 1 1 8  26 38 o 19.44000 5.484000  5.795000       10.97000  
1 1 1 8  26 40 o 13.63000 3.958000  0.5739000      7.916000  
1 1 1 8  26 42 o 11.80000 2.819000  5.279000       5.639000  
1 1 1 8  27 1  o 51.43000 1.521000  -1.743000      3.042000  
1 1 1 8  27 3  o 69.47000 1.358000  -2.982000      2.715000  
1 1 1 8  27 5  o 78.40000 1.338000  -3.877000      2.676000  
1 1 1 8  27 7  o 95.23000 1.565000  1.678000       3.130000  
1 1 1 8  27 9  o 15.20000 3.207000  -7.555000      6.413000  
1 1 1 8  27 11 o 33.47000 2.130000  5.724000       4.260000  
1 1 1 8  27 13 o 108.1000 1.746000  -3.963000      3.493000  
1 1 1 8  27 15 o 80.10000 1.721000  3.347000       3.442000  
1 1 1 8  27 17 o 43.45000 1.381000  0.2690000      2.762000  
1 1 1 8  27 19 o 71.12000 1.510000  -2.108000      3.020000  
1 1 1 8  27 21 o 24.02000 2.879000  3.215000       5.758000  
1 1 1 8  27 23 o 54.96000 1.591000  -2.773000      3.182000  
1 1 1 8  27 25 o 38.59000 2.104000  -0.4879000     4.207000  
1 1 1 8  27 27 o 12.35000 4.028000  4.151000       8.055000  
1 1 1 8  27 29 o 9.939000 4.644000  ?              ?         
1 1 1 8  27 31 o 31.06000 2.383000  -3.791000      4.765000  
1 1 1 8  27 33 o 44.67000 2.324000  7.198000       4.647000  
1 1 1 8  27 35 o 37.09000 1.638000  -2.091000      3.277000  
1 1 1 8  27 37 o 36.77000 3.464000  2.387000       6.927000  
1 1 1 8  27 39 o 15.21000 4.035000  -0.5479000     8.070000  
1 1 1 8  27 41 o 14.70000 2.691000  -7.056000      5.383000  
1 1 1 8  28 0  o 44.91000 2.496000  0.000000       0.000000  
1 1 1 8  28 2  o 21.54000 2.898000  2.270000       5.796000  
1 1 1 8  28 4  o 26.09000 2.500000  2.580000       5.001000  
1 1 1 8  28 6  o 61.67000 1.293000  2.837000       2.587000  
1 1 1 8  28 8  o 79.53000 1.419000  -2.284000      2.837000  
1 1 1 8  28 10 o 34.44000 1.777000  -2.541000      3.553000  
1 1 1 8  28 12 o 52.19000 1.417000  0.5955000      2.835000  
1 1 1 8  28 14 o 72.23000 1.532000  -0.8159000     3.064000  
1 1 1 8  28 16 o 13.99000 3.339000  -4.588000      6.679000  
1 1 1 8  28 18 o 15.89000 3.395000  0.9377000      6.791000  
1 1 1 8  28 20 f 21.23000 2.801000  -1.117000      5.603000  
1 1 1 8  28 22 o 28.01000 2.248000  3.372000       4.497000  
1 1 1 8  28 24 o 54.99000 1.562000  -1.698000      3.124000  
1 1 1 8  28 26 o 26.90000 2.236000  -0.3970000     4.472000  
1 1 1 8  28 28 o 17.45000 4.201000  0.7246000      8.402000  
1 1 1 8  28 30 f 8.020000 3.961000  ?              ?         
1 1 1 8  28 32 o 9.588000 3.102000  6.760000       6.204000  
1 1 1 8  28 34 o 25.04000 3.536000  -8.789000      7.073000  
1 1 1 8  28 36 o 10.18000 2.011000  -1.899000      4.022000  
1 1 1 8  28 38 o 12.25000 3.306000  1.973000       6.612000  
1 1 1 8  28 40 o 14.81000 4.370000  -5.647000      8.739000  
1 1 1 8  29 1  o 37.76000 2.052000  -3.861000      4.103000  
1 1 1 8  29 3  o 56.67000 1.540000  -0.9105000     3.081000  
1 1 1 8  29 5  o 72.79000 1.477000  1.184000       2.954000  
1 1 1 8  29 7  o 33.12000 1.947000  -0.3759000     3.894000  
1 1 1 8  29 9  o 38.21000 1.749000  -0.6419000     3.498000  
1 1 1 8  29 11 o 51.43000 1.497000  -1.281000      2.993000  
1 1 1 8  29 13 o 30.78000 2.079000  2.395000       4.158000  
1 1 1 8  29 15 o 79.54000 1.590000  -0.4368000     3.180000  
1 1 1 8  29 17 o 53.01000 1.683000  5.479000       3.365000  
1 1 1 8  29 19 o 43.59000 1.572000  4.121000       3.143000  
1 1 1 8  29 21 o 19.32000 2.727000  7.852000       5.455000  
1 1 1 8  29 23 o 16.90000 3.252000  0.8264000      6.504000  
1 1 1 8  29 25 o 55.17000 2.861000  -1.585000      5.721000  
1 1 1 8  29 27 f 10.66000 3.447000  4.266000       6.894000  
1 1 1 8  29 29 o 13.70000 6.791000  ?              ?         
1 1 1 8  29 31 o 11.76000 3.092000  0.5558000      6.184000  
1 1 1 8  29 33 o 21.30000 2.849000  -10.97000      5.697000  
1 1 1 8  29 35 o 10.57000 2.947000  5.133000       5.894000  
1 1 1 8  29 37 f 19.29000 1.312000  -3.939000      2.625000  
1 1 1 8  29 39 o 40.46000 2.164000  2.718000       4.328000  
1 1 1 8  30 0  o 21.74000 5.281000  0.000000       0.000000  
1 1 1 8  30 2  o 20.34000 3.366000  -1.314000      6.731000  
1 1 1 8  30 4  o 48.18000 1.671000  0.8004000E-01  3.341000  
1 1 1 8  30 6  o 70.14000 1.488000  0.2885000      2.975000  
1 1 1 8  30 8  f 40.41000 2.241000  -0.3304000     4.482000  
1 1 1 8  30 10 o 12.19000 3.386000  -0.9978000     6.772000  
1 1 1 8  30 12 o 60.86000 1.383000  -4.580000      2.765000  
1 1 1 8  30 14 o 16.95000 3.336000  4.539000       6.672000  
1 1 1 8  30 16 o 38.29000 1.787000  -4.285000      3.574000  
1 1 1 8  30 18 o 15.51000 3.282000  -1.346000      6.565000  
1 1 1 8  30 20 f 20.00000 2.814000  1.144000       5.628000  
1 1 1 8  30 22 o 16.48000 3.202000  -4.354000      6.403000  
1 1 1 8  30 24 f 12.80000 3.885000  -5.862000      7.770000  
1 1 1 8  30 26 o 14.24000 7.047000  ?              ?         
1 1 1 8  30 30 o 22.92000 3.256000  -2.299000      6.512000  
1 1 1 8  30 32 f 22.69000 3.949000  -2.597000      7.898000  
1 1 1 8  30 34 o 12.48000 3.069000  3.642000       6.137000  
1 1 1 8  30 36 o 15.41000 2.838000  -4.052000      5.676000  
1 1 1 8  30 38 o 24.87000 2.001000  0.6649000      4.002000  
1 1 1 8  31 1  o 52.75000 1.541000  -1.927000      3.082000  
1 1 1 8  31 3  o 52.40000 1.545000  1.679000       3.089000  
1 1 1 8  31 5  o 73.36000 1.415000  -1.432000      2.831000  
1 1 1 8  31 7  f 22.71000 4.075000  0.7310000      8.151000  
1 1 1 8  31 9  o 10.37000 3.135000  -0.8271000E-01 6.270000  
1 1 1 8  31 11 o 17.11000 3.515000  1.226000       7.030000  
1 1 1 8  31 13 o 49.56000 1.621000  -3.424000      3.243000  
1 1 1 8  31 15 o 69.40000 1.491000  3.232000       2.981000  
1 1 1 8  31 17 f 19.59000 2.990000  5.001000       5.981000  
1 1 1 8  31 19 o 42.72000 1.738000  4.663000       3.475000  
1 1 1 8  31 21 o 11.73000 3.628000  -4.026000      7.256000  
1 1 1 8  31 23 o 12.38000 2.910000  5.618000       5.821000  
1 1 1 8  31 25 o 15.90000 5.017000  -6.123000      10.03000  
1 1 1 8  31 29 o 24.62000 3.196000  -7.083000      6.391000  
1 1 1 8  31 31 o 14.30000 3.328000  10.03000       6.656000  
1 1 1 8  31 33 o 15.68000 4.598000  14.50000       9.195000  
1 1 1 8  31 35 o 14.15000 2.866000  -3.180000      5.731000  
1 1 1 8  31 37 f 28.19000 2.455000  0.9707000      4.909000  
1 1 1 8  32 0  o 23.57000 4.603000  0.000000       0.000000  
1 1 1 8  32 2  o 73.94000 1.437000  4.997000       2.873000  
1 1 1 8  32 4  o 57.19000 1.457000  1.457000       2.913000  
1 1 1 8  32 6  o 95.83000 1.534000  3.822000       3.069000  
1 1 1 8  32 8  o 58.93000 1.548000  -2.399000      3.097000  
1 1 1 8  32 10 o 30.07000 2.646000  4.448000       5.293000  
1 1 1 8  32 12 o 12.44000 3.466000  -5.056000      6.931000  
1 1 1 8  32 14 o 38.58000 1.985000  -2.430000      3.970000  
1 1 1 8  32 16 o 56.43000 1.623000  -0.8761000     3.245000  
1 1 1 8  32 18 o 50.13000 1.736000  3.131000       3.473000  
1 1 1 8  32 20 o 54.12000 2.041000  2.206000       4.083000  
1 1 1 8  32 22 o 7.857000 2.580000  2.301000       5.160000  
1 1 1 8  32 24 o 66.25000 3.028000  -14.76000      6.055000  
1 1 1 8  32 26 o 8.128000 3.788000  ?              ?         
1 1 1 8  32 28 o 31.30000 2.978000  -3.429000      5.956000  
1 1 1 8  32 30 o 28.68000 2.614000  -4.258000      5.227000  
1 1 1 8  32 32 o 29.65000 4.329000  4.185000       8.657000  
1 1 1 8  32 34 o 13.29000 3.485000  4.890000       6.970000  
1 1 1 8  32 36 o 31.90000 1.488000  -2.734000      2.975000  
1 1 1 8  33 1  o 40.40000 1.998000  -3.111000      3.995000  
1 1 1 8  33 3  o 28.86000 2.949000  -6.435000      5.898000  
1 1 1 8  33 5  o 15.92000 3.798000  0.1666000      7.596000  
1 1 1 8  33 7  o 53.21000 1.641000  -1.992000      3.282000  
1 1 1 8  33 9  o 26.11000 2.876000  0.2213000      5.751000  
1 1 1 8  33 11 o 38.60000 2.204000  0.5474000      4.408000  
1 1 1 8  33 13 o 30.58000 2.495000  -6.815000      4.989000  
1 1 1 8  33 15 o 28.78000 2.945000  -1.178000      5.890000  
1 1 1 8  33 17 o 31.16000 3.472000  4.618000       6.945000  
1 1 1 8  33 19 o 44.51000 1.986000  4.190000       3.973000  
1 1 1 8  33 21 o 9.168000 4.488000  ?              ?         
1 1 1 8  33 23 o 39.32000 1.823000  0.1306000      3.646000  
1 1 1 8  33 25 o 12.76000 2.366000  13.90000       4.732000  
1 1 1 8  33 27 o 13.87000 3.704000  -2.754000      7.408000  
1 1 1 8  33 29 o 22.90000 3.432000  -2.271000      6.864000  
1 1 1 8  33 31 o 32.65000 4.584000  -10.22000      9.168000  
1 1 1 8  33 33 f 14.57000 2.701000  -7.203000      5.402000  
1 1 1 8  33 35 o 33.48000 1.825000  -2.160000      3.650000  
1 1 1 8  34 0  o 27.47000 4.048000  0.000000       0.000000  
1 1 1 8  34 2  o 59.33000 1.881000  -3.638000      3.762000  
1 1 1 8  34 4  o 20.42000 3.617000  0.6365000      7.233000  
1 1 1 8  34 6  o 28.41000 3.182000  0.3624000      6.365000  
1 1 1 8  34 8  o 27.65000 2.637000  -1.129000      5.275000  
1 1 1 8  34 10 o 54.87000 1.767000  0.5182000      3.533000  
1 1 1 8  34 12 o 40.05000 2.182000  -2.094000      4.364000  
1 1 1 8  34 14 o 13.77000 3.748000  -4.275000      7.495000  
1 1 1 8  34 16 o 31.74000 3.911000  -0.3950000     7.823000  
1 1 1 8  34 18 o 29.46000 2.906000  7.495000       5.813000  
1 1 1 8  34 20 o 27.50000 4.692000  -2.293000      9.385000  
1 1 1 8  34 24 o 16.25000 3.689000  2.292000       7.379000  
1 1 1 8  34 26 o 16.73000 3.851000  -3.937000      7.701000  
1 1 1 8  34 28 o 26.40000 3.103000  6.064000       6.207000  
1 1 1 8  34 30 o 12.57000 3.235000  -0.3629000     6.470000  
1 1 1 8  34 32 o 8.038000 2.629000  2.905000       5.257000  
1 1 1 8  34 34 o 37.21000 1.193000  -1.056000      2.386000  
1 1 1 8  35 1  f 36.74000 2.363000  0.3733000      4.726000  
1 1 1 8  35 3  o 16.90000 3.939000  2.240000       7.878000  
1 1 1 8  35 5  o 53.47000 1.807000  3.656000       3.615000  
1 1 1 8  35 7  o 27.67000 3.106000  -0.4440000E-01 6.212000  
1 1 1 8  35 9  o 24.14000 3.399000  -2.133000      6.798000  
1 1 1 8  35 11 o 29.41000 3.225000  2.813000       6.450000  
1 1 1 8  35 13 o 15.29000 4.307000  -4.250000      8.614000  
1 1 1 8  35 15 o 13.83000 3.311000  5.321000       6.622000  
1 1 1 8  35 17 o 11.81000 5.694000  ?              ?         
1 1 1 8  35 19 o 57.25000 1.746000  3.722000       3.492000  
1 1 1 8  35 21 o 7.062000 3.442000  ?              ?         
1 1 1 8  35 23 o 10.53000 3.363000  -2.601000      6.725000  
1 1 1 8  35 25 o 28.19000 2.842000  3.335000       5.684000  
1 1 1 8  35 27 o 36.15000 2.181000  0.7400000      4.362000  
1 1 1 8  35 29 o 13.97000 4.119000  1.382000       8.239000  
1 1 1 8  35 31 o 8.914000 2.764000  1.819000       5.528000  
1 1 1 8  35 33 o 18.32000 2.519000  -7.223000      5.038000  
1 1 1 8  36 0  o 11.14000 5.020000  0.000000       0.000000  
1 1 1 8  36 2  o 16.43000 4.217000  -0.4656000     8.434000  
1 1 1 8  36 4  o 11.91000 3.723000  -0.4952000     7.446000  
1 1 1 8  36 6  o 22.04000 3.785000  2.589000       7.569000  
1 1 1 8  36 8  o 29.58000 3.000000  -2.167000      5.999000  
1 1 1 8  36 10 o 58.60000 2.280000  1.271000       4.559000  
1 1 1 8  36 12 o 20.47000 3.241000  8.470000       6.481000  
1 1 1 8  36 14 o 10.41000 3.178000  4.105000       6.356000  
1 1 1 8  36 16 o 45.20000 2.966000  5.370000       5.931000  
1 1 1 8  36 18 o 9.269000 4.584000  ?              ?         
1 1 1 8  36 20 o 15.03000 2.921000  14.84000       5.842000  
1 1 1 8  36 22 o 12.86000 3.636000  1.274000       7.271000  
1 1 1 8  36 24 o 32.60000 2.390000  2.696000       4.780000  
1 1 1 8  36 26 o 11.42000 3.434000  -2.307000      6.868000  
1 1 1 8  36 28 f 11.42000 3.236000  0.9993000      6.472000  
1 1 1 8  36 30 o 9.233000 3.080000  1.595000       6.160000  
1 1 1 8  36 32 o 5.954000 2.710000  ?              ?         
1 1 1 8  37 1  o 15.52000 4.399000  -1.261000      8.798000  
1 1 1 8  37 3  o 16.22000 4.101000  -3.178000      8.202000  
1 1 1 8  37 5  o 16.53000 4.317000  1.357000       8.635000  
1 1 1 8  37 7  o 34.92000 2.078000  7.418000       4.156000  
1 1 1 8  37 9  o 8.262000 2.845000  -1.748000      5.689000  
1 1 1 8  37 11 o 16.01000 3.797000  7.891000       7.595000  
1 1 1 8  37 13 o 62.73000 2.735000  10.51000       5.470000  
1 1 1 8  37 15 o 6.981000 3.425000  ?              ?         
1 1 1 8  37 17 o 7.708000 2.550000  5.684000       5.099000  
1 1 1 8  37 19 o 16.78000 4.008000  1.836000       8.017000  
1 1 1 8  37 21 o 17.62000 4.149000  -3.475000      8.297000  
1 1 1 8  37 23 o 23.56000 3.098000  -1.232000      6.196000  
1 1 1 8  37 25 o 20.19000 3.628000  2.183000       7.257000  
1 1 1 8  37 27 o 9.351000 2.834000  -1.144000      5.668000  
1 1 1 8  37 29 o 8.623000 2.750000  2.134000       5.499000  
1 1 1 8  37 31 o 6.759000 2.931000  ?              ?         
1 1 1 8  38 0  f 11.34000 5.263000  0.000000       0.000000  
1 1 1 8  38 2  f 38.43000 2.784000  2.268000       5.567000  
1 1 1 8  38 4  o 32.95000 4.655000  6.067000       9.311000  
1 1 1 8  38 10 o 62.23000 1.754000  -0.8180000     3.508000  
1 1 1 8  38 12 o 8.330000 3.948000  ?              ?         
1 1 1 8  38 14 o 7.349000 2.415000  4.956000       4.831000  
1 1 1 8  38 16 o 12.32000 3.888000  -2.672000      7.776000  
1 1 1 8  38 18 o 14.19000 4.030000  -0.7168000     8.061000  
1 1 1 8  38 20 o 32.42000 2.823000  4.212000       5.647000  
1 1 1 8  38 22 o 13.65000 3.813000  -3.129000      7.626000  
1 1 1 8  38 24 o 16.65000 3.561000  3.081000       7.122000  
1 1 1 8  38 26 o 8.418000 2.672000  0.8133000E-01  5.344000  
1 1 1 8  38 28 o 9.304000 2.722000  6.246000       5.444000  
1 1 1 8  39 1  o 67.39000 2.484000  -1.530000      4.969000  
1 1 1 8  39 3  o 51.02000 2.079000  -4.623000      4.158000  
1 1 1 8  39 5  o 70.89000 2.002000  1.543000       4.004000  
1 1 1 8  39 7  o 8.122000 2.662000  2.108000       5.324000  
1 1 1 8  39 9  o 9.352000 4.377000  ?              ?         
1 1 1 8  39 11 o 8.993000 2.819000  6.860000       5.639000  
1 1 1 8  39 13 o 13.35000 4.143000  -1.356000      8.286000  
1 1 1 8  39 15 o 13.90000 4.097000  -3.240000      8.195000  
1 1 1 8  39 17 o 20.78000 3.686000  4.998000       7.373000  
1 1 1 8  39 19 o 39.67000 4.405000  14.26000       8.810000  
1 1 1 8  39 21 o 31.69000 2.478000  7.956000       4.956000  
1 1 1 8  39 23 o 33.42000 2.568000  8.989000       5.135000  
1 1 1 8  39 25 o 12.38000 2.820000  8.174000       5.640000  
1 1 1 8  39 27 f 30.24000 1.714000  -4.588000      3.429000  
1 1 1 8  40 6  o 6.958000 2.356000  0.5513000      4.713000  
1 1 1 8  40 8  o 33.21000 4.095000  4.714000       8.191000  
1 1 1 8  40 10 o 37.90000 3.181000  -2.312000      6.363000  
1 1 1 8  40 12 o 16.77000 4.415000  0.5164000      8.830000  
1 1 1 8  40 14 o 14.50000 4.191000  1.556000       8.383000  
1 1 1 8  40 16 o 16.41000 4.169000  6.472000       8.339000  
1 1 1 8  40 18 o 15.01000 3.718000  3.648000       7.436000  
1 1 1 8  40 20 o 15.34000 3.887000  -1.474000      7.774000  
1 1 1 8  40 22 o 11.44000 2.994000  1.311000       5.987000  
1 1 1 8  40 24 o 8.187000 3.930000  ?              ?         
1 1 1 8  40 26 o 12.02000 3.278000  12.19000       6.557000  
1 1 1 8  41 1  o 42.28000 3.827000  0.3469000      7.655000  
1 1 1 8  41 3  o 34.89000 3.519000  -4.077000      7.038000  
1 1 1 8  41 5  o 13.76000 4.262000  0.1684000E-01  8.525000  
1 1 1 8  41 7  o 16.13000 4.546000  2.386000       9.092000  
1 1 1 8  41 9  o 19.07000 4.443000  4.232000       8.886000  
1 1 1 8  41 11 o 22.85000 4.100000  0.6463000      8.200000  
1 1 1 8  41 13 o 27.33000 4.542000  7.501000       9.084000  
1 1 1 8  41 15 o 14.62000 4.037000  -6.046000      8.074000  
1 1 1 8  41 17 o 11.16000 3.531000  -3.898000      7.062000  
1 1 1 8  41 19 o 13.65000 3.944000  4.565000       7.887000  
1 1 1 8  41 21 o 9.555000 3.081000  1.464000       6.162000  
1 1 1 8  41 23 o 30.61000 2.184000  4.445000       4.368000  
1 1 1 8  42 0  o 14.18000 5.989000  0.000000       0.000000  
1 1 1 8  42 2  o 14.98000 4.229000  -4.861000      8.457000  
1 1 1 8  42 4  o 20.68000 4.811000  -0.2730000     9.622000  
1 1 1 8  42 6  o 16.69000 4.765000  -5.231000      9.530000  
1 1 1 8  42 8  o 23.49000 4.012000  -4.334000      8.025000  
1 1 1 8  42 10 o 22.16000 3.738000  6.270000       7.477000  
1 1 1 8  42 12 o 13.81000 3.922000  0.2325000      7.843000  
1 1 1 8  42 14 o 25.90000 3.936000  6.703000       7.873000  
1 1 1 8  42 16 o 13.24000 3.828000  -1.111000      7.656000  
1 1 1 8  42 18 o 7.518000 2.519000  0.2922000      5.038000  
1 1 1 8  42 20 o 8.701000 3.061000  -3.283000      6.121000  
1 1 1 8  42 22 o 6.979000 2.437000  2.305000       4.874000  
1 1 1 8  43 1  o 20.07000 4.785000  -3.262000      9.570000  
1 1 1 8  43 3  o 31.74000 2.970000  -1.124000      5.939000  
1 1 1 8  43 5  o 21.43000 4.575000  -3.613000      9.149000  
1 1 1 8  43 7  o 27.06000 5.049000  3.444000       10.10000  
1 1 1 8  43 9  o 24.47000 4.005000  -2.865000      8.011000  
1 1 1 8  43 11 o 30.81000 3.125000  4.025000       6.250000  
1 1 1 8  43 13 f 18.10000 4.247000  -2.509000      8.495000  
1 1 1 8  43 15 o 9.206000 2.733000  4.449000       5.467000  
1 1 1 8  43 17 o 7.005000 3.389000  ?              ?         
1 1 1 8  43 19 o 23.79000 2.943000  -12.41000      5.885000  
1 1 1 8  44 0  o 15.16000 6.399000  0.000000       0.000000  
1 1 1 8  44 2  o 18.71000 4.325000  -5.586000      8.650000  
1 1 1 8  44 4  o 13.68000 4.060000  -1.044000      8.120000  
1 1 1 8  44 6  o 21.79000 4.353000  -0.6192000     8.705000  
1 1 1 8  44 8  o 21.28000 4.519000  -0.5982000     9.037000  
1 1 1 8  44 10 o 7.699000 2.533000  1.913000       5.067000  
1 1 1 8  44 12 o 8.480000 2.759000  0.7315000      5.518000  
1 1 1 8  44 14 o 7.969000 3.807000  ?              ?         
1 1 1 8  44 16 o 47.01000 1.659000  -5.011000      3.318000  
1 1 1 8  44 18 o 20.06000 4.490000  -4.094000      8.981000  
1 1 1 8  45 1  o 7.866000 2.594000  0.3130000      5.188000  
1 1 1 8  45 3  o 10.46000 2.960000  1.185000       5.920000  
1 1 1 8  45 5  o 7.590000 2.498000  1.568000       4.996000  
1 1 1 8  45 7  o 7.893000 2.595000  0.2302000      5.191000  
1 1 1 8  45 9  o 6.334000 2.224000  0.9107000E-01  4.447000  
1 1 1 8  45 11 o 12.40000 2.628000  -7.867000      5.257000  
1 1 1 8  45 15 f 21.85000 3.816000  ?              ?         
1 1 1 8  46 2  o 5.176000 1.816000  -0.1681000     3.632000  
1 1 1 8  46 4  o 11.29000 2.724000  2.790000       5.448000  
1 1 1 8  46 6  o 38.77000 1.291000  -4.506000      2.581000  
1 1 1 8  46 8  o 30.32000 1.791000  2.606000       3.582000  
1 1 1 8  46 10 o 6.260000 2.127000  0.6824000      4.254000  
1 1 1 8  47 1  o 10.91000 3.076000  -2.881000      6.152000  
1 1 1 9  0  1  f 83.36000 1.521000  0.000000       0.000000  
1 1 1 9  0  3  f 128.2000 2.672000  0.000000       0.000000  
1 1 1 9  0  5  o 91.76000 1.924000  0.000000       0.000000  
1 1 1 9  0  7  o 119.2000 2.489000  0.000000       0.000000  
1 1 1 9  0  9  o 6.464000 1.622000  0.000000       0.000000  
1 1 1 9  0  11 o 38.41000 0.7894000 0.000000       0.000000  
1 1 1 9  0  13 o 31.09000 0.8932000 0.000000       0.000000  
1 1 1 9  0  15 o 20.49000 0.9062000 0.000000       0.000000  
1 1 1 9  0  17 o 161.6000 2.925000  0.000000       0.000000  
1 1 1 9  0  19 o 128.1000 2.331000  0.000000       0.000000  
1 1 1 9  0  21 o 38.91000 1.097000  0.000000       0.000000  
1 1 1 9  0  23 o 64.16000 2.171000  0.000000       0.000000  
1 1 1 9  0  25 o 7.670000 2.995000  0.000000       0.000000  
1 1 1 9  0  27 o 59.06000 1.291000  0.000000       0.000000  
1 1 1 9  0  29 o 71.99000 1.449000  0.000000       0.000000  
1 1 1 9  0  31 o 30.38000 1.276000  0.000000       0.000000  
1 1 1 9  0  33 o 6.708000 2.755000  0.000000       0.000000  
1 1 1 9  0  35 o 6.726000 2.839000  0.000000       0.000000  
1 1 1 9  0  37 o 66.68000 1.978000  0.000000       0.000000  
1 1 1 9  0  39 o 7.802000 3.197000  0.000000       0.000000  
1 1 1 9  0  41 o 10.74000 4.547000  0.000000       0.000000  
1 1 1 9  0  43 o 35.55000 1.940000  0.000000       0.000000  
1 1 1 9  0  45 o 22.41000 2.324000  0.000000       0.000000  
1 1 1 9  0  47 o 11.79000 3.742000  0.000000       0.000000  
1 1 1 9  0  49 o 17.13000 2.925000  0.000000       0.000000  
1 1 1 9  1  0  o 67.32000 1.239000  0.000000       0.000000  
1 1 1 9  1  2  o 53.45000 0.7650000 0.8459000      1.530000  
1 1 1 9  1  4  o 36.69000 0.6002000 0.5343000      1.200000  
1 1 1 9  1  6  o 78.00000 1.011000  1.013000       2.022000  
1 1 1 9  1  8  o 110.3000 1.737000  -2.114000      3.474000  
1 1 1 9  1  10 o 103.0000 1.432000  2.682000       2.864000  
1 1 1 9  1  12 o 85.75000 1.148000  0.6110000      2.297000  
1 1 1 9  1  14 o 52.59000 0.8385000 -1.995000      1.677000  
1 1 1 9  1  16 o 35.27000 0.6268000 -1.205000      1.254000  
1 1 1 9  1  18 o 33.20000 0.6906000 -0.3710000     1.381000  
1 1 1 9  1  20 o 35.58000 0.7650000 0.2166000      1.530000  
1 1 1 9  1  22 o 179.4000 2.491000  0.9324000      4.981000  
1 1 1 9  1  24 o 8.143000 2.219000  0.9361000      4.437000  
1 1 1 9  1  26 f 105.2000 1.401000  2.392000       2.803000  
1 1 1 9  1  28 o 27.60000 0.8735000 -2.156000      1.747000  
1 1 1 9  1  30 o 7.805000 1.959000  -0.7158000     3.917000  
1 1 1 9  1  32 o 64.82000 1.193000  -4.907000      2.387000  
1 1 1 9  1  34 f 51.17000 1.044000  -1.003000      2.089000  
1 1 1 9  1  36 o 45.98000 1.133000  -1.719000      2.266000  
1 1 1 9  1  38 o 10.21000 2.205000  -1.004000      4.409000  
1 1 1 9  1  40 o 25.75000 1.568000  0.2558000      3.135000  
1 1 1 9  1  42 o 54.46000 1.766000  -3.303000      3.531000  
1 1 1 9  1  44 o 45.69000 1.196000  1.400000       2.391000  
1 1 1 9  1  46 f 18.93000 1.843000  3.035000       3.686000  
1 1 1 9  1  48 o 24.58000 1.480000  0.5138000      2.960000  
1 1 1 9  1  50 o 19.04000 1.902000  3.034000       3.804000  
1 1 1 9  2  1  o 55.31000 0.7916000 0.4779000      1.583000  
1 1 1 9  2  3  o 76.54000 1.142000  0.5635000      2.285000  
1 1 1 9  2  5  o 53.82000 0.8805000 0.1469000      1.761000  
1 1 1 9  2  7  o 58.22000 0.9372000 2.870000       1.874000  
1 1 1 9  2  9  o 26.30000 0.5620000 -0.3263000     1.124000  
1 1 1 9  2  11 o 49.42000 0.7030000 -0.6332000E-03 1.406000  
1 1 1 9  2  13 f 21.87000 0.5800000 0.8074000      1.160000  
1 1 1 9  2  15 f 38.45000 0.7362000 -0.5203000     1.472000  
1 1 1 9  2  17 o 75.75000 1.044000  -1.220000      2.088000  
1 1 1 9  2  19 o 72.62000 1.014000  0.5600000      2.027000  
1 1 1 9  2  21 o 52.00000 1.137000  3.280000       2.274000  
1 1 1 9  2  23 f 91.29000 1.276000  -4.444000      2.552000  
1 1 1 9  2  25 o 144.2000 1.876000  6.988000       3.753000  
1 1 1 9  2  27 o 55.36000 1.033000  3.392000       2.066000  
1 1 1 9  2  29 o 51.77000 0.9604000 -1.938000      1.921000  
1 1 1 9  2  31 o 66.26000 1.024000  1.651000       2.047000  
1 1 1 9  2  33 o 25.06000 0.9673000 -0.2843000E-01 1.935000  
1 1 1 9  2  35 o 41.24000 0.9113000 2.014000       1.823000  
1 1 1 9  2  37 o 23.80000 1.027000  -1.239000      2.054000  
1 1 1 9  2  39 o 42.84000 1.209000  -1.691000      2.418000  
1 1 1 9  2  41 o 53.09000 1.388000  -7.017000      2.775000  
1 1 1 9  2  43 o 18.63000 1.940000  0.5261000      3.880000  
1 1 1 9  2  45 o 31.85000 1.158000  0.7049000      2.316000  
1 1 1 9  2  47 o 16.93000 2.004000  -6.325000      4.008000  
1 1 1 9  2  49 o 10.16000 2.410000  2.221000       4.820000  
1 1 1 9  3  0  o 59.90000 1.291000  0.000000       0.000000  
1 1 1 9  3  2  o 33.73000 0.5765000 0.9336000      1.153000  
1 1 1 9  3  4  o 96.56000 1.522000  -0.5814000     3.043000  
1 1 1 9  3  6  o 31.58000 0.6059000 -0.6386000     1.212000  
1 1 1 9  3  8  o 18.54000 0.5564000 0.2643000      1.113000  
1 1 1 9  3  10 o 63.75000 0.9087000 -0.3909000E-01 1.817000  
1 1 1 9  3  12 o 146.1000 1.868000  0.8457000      3.736000  
1 1 1 9  3  14 o 86.07000 1.155000  -0.7172000     2.310000  
1 1 1 9  3  16 o 29.09000 0.6903000 -0.3981000     1.381000  
1 1 1 9  3  18 o 44.55000 0.7478000 2.150000       1.496000  
1 1 1 9  3  20 o 94.30000 1.350000  -4.282000      2.699000  
1 1 1 9  3  22 o 45.11000 1.032000  -3.439000      2.064000  
1 1 1 9  3  24 o 41.68000 1.567000  -0.6121000     3.134000  
1 1 1 9  3  26 o 13.14000 1.485000  -3.594000      2.969000  
1 1 1 9  3  28 o 57.72000 0.9888000 2.451000       1.978000  
1 1 1 9  3  30 o 49.38000 0.9131000 0.3502000      1.826000  
1 1 1 9  3  32 o 51.09000 0.9590000 0.8052000      1.918000  
1 1 1 9  3  34 o 15.49000 1.309000  -2.250000      2.619000  
1 1 1 9  3  36 o 18.78000 1.223000  1.739000       2.447000  
1 1 1 9  3  38 o 32.55000 1.221000  -0.4407000     2.443000  
1 1 1 9  3  40 o 9.158000 2.375000  -1.061000      4.750000  
1 1 1 9  3  42 o 27.25000 2.151000  -1.540000      4.301000  
1 1 1 9  3  44 o 22.93000 1.554000  -2.009000      3.108000  
1 1 1 9  3  46 o 33.19000 1.017000  -2.138000      2.034000  
1 1 1 9  3  48 o 9.006000 2.243000  -2.401000      4.485000  
1 1 1 9  3  50 o 6.240000 2.877000  ?              ?         
1 1 1 9  4  1  o 130.8000 2.158000  0.7636000      4.315000  
1 1 1 9  4  3  o 74.13000 1.250000  -1.498000      2.500000  
1 1 1 9  4  5  o 39.47000 0.7295000 -0.1744000     1.459000  
1 1 1 9  4  7  o 77.75000 1.166000  0.3421000      2.332000  
1 1 1 9  4  9  o 81.16000 1.140000  0.3569000      2.279000  
1 1 1 9  4  11 o 77.99000 1.016000  0.4854000E-01  2.032000  
1 1 1 9  4  13 o 35.72000 0.5521000 -0.3299000     1.104000  
1 1 1 9  4  15 o 34.85000 0.6425000 -0.2268000E-01 1.285000  
1 1 1 9  4  17 o 106.6000 1.493000  -1.652000      2.985000  
1 1 1 9  4  19 o 59.59000 0.9822000 1.821000       1.964000  
1 1 1 9  4  21 o 81.36000 1.508000  7.127000       3.016000  
1 1 1 9  4  23 o 55.20000 1.353000  2.426000       2.705000  
1 1 1 9  4  25 o 91.27000 1.935000  3.614000       3.870000  
1 1 1 9  4  27 o 35.91000 0.9685000 2.617000       1.937000  
1 1 1 9  4  29 o 50.67000 0.9258000 -0.4137000     1.852000  
1 1 1 9  4  31 o 16.39000 1.218000  0.9230000      2.436000  
1 1 1 9  4  33 f 12.85000 1.392000  -1.223000      2.785000  
1 1 1 9  4  35 f 35.01000 0.9577000 2.279000       1.915000  
1 1 1 9  4  37 o 37.65000 1.016000  -4.846000      2.033000  
1 1 1 9  4  39 o 26.44000 1.036000  3.707000       2.072000  
1 1 1 9  4  41 o 34.10000 1.263000  -6.587000      2.526000  
1 1 1 9  4  43 o 17.64000 1.695000  1.279000       3.389000  
1 1 1 9  4  45 o 28.59000 1.212000  -4.721000      2.425000  
1 1 1 9  4  47 o 25.48000 1.072000  -2.308000      2.144000  
1 1 1 9  4  49 f 12.01000 2.156000  -6.153000      4.312000  
1 1 1 9  5  0  o 12.05000 1.151000  0.000000       0.000000  
1 1 1 9  5  2  o 40.34000 0.6626000 1.320000       1.325000  
1 1 1 9  5  4  f 39.05000 0.6728000 0.9487000      1.346000  
1 1 1 9  5  6  o 39.40000 0.7431000 0.4436000      1.486000  
1 1 1 9  5  8  o 31.32000 0.6126000 0.2503000E-01  1.225000  
1 1 1 9  5  10 o 55.78000 0.8122000 1.946000       1.624000  
1 1 1 9  5  12 o 83.88000 1.413000  1.343000       2.825000  
1 1 1 9  5  14 o 22.13000 0.5438000 -0.2078000     1.088000  
1 1 1 9  5  16 o 76.65000 1.104000  -1.453000      2.208000  
1 1 1 9  5  18 o 79.70000 1.252000  -1.184000      2.504000  
1 1 1 9  5  20 o 122.8000 1.899000  4.657000       3.799000  
1 1 1 9  5  22 o 60.64000 1.386000  5.370000       2.773000  
1 1 1 9  5  24 o 67.10000 1.471000  4.549000       2.941000  
1 1 1 9  5  26 o 21.53000 0.9488000 1.639000       1.898000  
1 1 1 9  5  28 o 100.6000 1.444000  -0.9572000     2.889000  
1 1 1 9  5  30 o 82.82000 1.237000  -0.8781000     2.473000  
1 1 1 9  5  32 o 29.38000 0.8600000 1.788000       1.720000  
1 1 1 9  5  34 o 21.20000 1.621000  -0.3453000     3.242000  
1 1 1 9  5  36 f 33.12000 0.9956000 2.687000       1.991000  
1 1 1 9  5  38 o 51.30000 0.8963000 2.126000       1.793000  
1 1 1 9  5  40 o 39.68000 1.125000  4.420000       2.251000  
1 1 1 9  5  42 o 49.17000 1.282000  3.102000       2.563000  
1 1 1 9  5  44 o 20.93000 3.431000  -3.568000      6.861000  
1 1 1 9  5  46 o 6.981000 2.083000  1.040000       4.165000  
1 1 1 9  5  48 o 19.28000 1.009000  3.068000       2.018000  
1 1 1 9  6  1  o 31.29000 0.5992000 0.8274000      1.198000  
1 1 1 9  6  3  o 47.69000 0.7195000 1.361000       1.439000  
1 1 1 9  6  5  o 18.78000 0.7190000 -0.8692000     1.438000  
1 1 1 9  6  7  o 72.64000 1.105000  -1.018000      2.211000  
1 1 1 9  6  9  o 19.44000 0.5318000 -0.5781000     1.064000  
1 1 1 9  6  11 o 74.11000 1.052000  1.484000       2.103000  
1 1 1 9  6  13 o 96.91000 1.355000  2.439000       2.709000  
1 1 1 9  6  15 o 29.02000 1.211000  5.042000       2.421000  
1 1 1 9  6  17 o 97.39000 1.557000  1.664000       3.114000  
1 1 1 9  6  19 o 11.55000 1.267000  -0.7932000     2.535000  
1 1 1 9  6  21 o 63.52000 1.105000  -3.760000      2.210000  
1 1 1 9  6  23 o 72.80000 1.417000  -1.413000      2.834000  
1 1 1 9  6  25 o 50.02000 1.071000  1.302000       2.141000  
1 1 1 9  6  27 o 40.32000 0.9176000 -1.176000      1.835000  
1 1 1 9  6  29 o 45.52000 0.9488000 -0.5662000     1.898000  
1 1 1 9  6  31 o 11.00000 1.327000  1.728000       2.654000  
1 1 1 9  6  33 o 31.64000 1.254000  1.034000       2.509000  
1 1 1 9  6  35 o 49.59000 1.119000  3.504000       2.238000  
1 1 1 9  6  37 f 28.47000 1.176000  -0.6568000     2.351000  
1 1 1 9  6  39 o 16.94000 1.725000  -2.340000      3.449000  
1 1 1 9  6  41 o 27.94000 2.754000  6.560000       5.508000  
1 1 1 9  6  43 o 18.69000 2.501000  1.911000       5.002000  
1 1 1 9  6  45 o 17.36000 3.137000  8.813000       6.275000  
1 1 1 9  6  47 f 15.72000 3.356000  2.697000       6.711000  
1 1 1 9  6  49 o 16.09000 3.070000  ?              ?         
1 1 1 9  7  0  o 64.99000 2.442000  0.000000       0.000000  
1 1 1 9  7  2  o 75.92000 1.221000  -0.6815000     2.442000  
1 1 1 9  7  4  o 25.28000 0.6944000 0.2229000      1.389000  
1 1 1 9  7  6  o 49.05000 0.9038000 -1.979000      1.808000  
1 1 1 9  7  8  o 16.99000 0.6084000 0.3510000E-01  1.217000  
1 1 1 9  7  10 o 89.93000 1.263000  0.9710000      2.525000  
1 1 1 9  7  12 o 158.6000 2.197000  3.477000       4.393000  
1 1 1 9  7  14 o 171.3000 2.369000  4.740000       4.739000  
1 1 1 9  7  16 o 44.49000 0.7361000 -2.380000      1.472000  
1 1 1 9  7  18 o 59.66000 1.062000  -1.799000      2.124000  
1 1 1 9  7  20 f 43.15000 1.228000  0.6917000      2.456000  
1 1 1 9  7  22 o 87.63000 1.629000  -0.4340000     3.258000  
1 1 1 9  7  24 o 67.30000 1.276000  0.4002000      2.553000  
1 1 1 9  7  26 o 28.54000 1.032000  3.641000       2.063000  
1 1 1 9  7  28 o 28.32000 1.092000  -0.3854000     2.183000  
1 1 1 9  7  30 o 29.16000 1.092000  -1.558000      2.185000  
1 1 1 9  7  32 o 51.31000 1.262000  -2.119000      2.523000  
1 1 1 9  7  34 o 18.66000 1.451000  0.4975000      2.902000  
1 1 1 9  7  36 o 52.44000 1.137000  1.031000       2.275000  
1 1 1 9  7  38 o 54.67000 1.177000  0.6149000      2.353000  
1 1 1 9  7  40 o 40.75000 1.338000  2.760000       2.676000  
1 1 1 9  7  42 o 41.09000 2.031000  -4.296000      4.063000  
1 1 1 9  7  44 o 45.84000 1.493000  -0.1985000E-01 2.986000  
1 1 1 9  7  46 o 11.00000 3.285000  3.795000       6.571000  
1 1 1 9  7  48 o 20.17000 3.335000  3.519000       6.671000  
1 1 1 9  8  1  o 33.77000 0.7191000 2.701000       1.438000  
1 1 1 9  8  3  o 83.43000 1.414000  1.996000       2.829000  
1 1 1 9  8  5  o 76.00000 1.184000  -1.528000      2.367000  
1 1 1 9  8  7  o 83.83000 1.305000  2.564000       2.609000  
1 1 1 9  8  9  o 113.0000 1.458000  1.648000       2.916000  
1 1 1 9  8  11 o 106.8000 1.497000  0.9975000      2.993000  
1 1 1 9  8  13 o 57.88000 0.8230000 -0.5183000     1.646000  
1 1 1 9  8  15 o 21.47000 0.6105000 0.5205000      1.221000  
1 1 1 9  8  17 o 59.28000 0.9185000 0.5601000      1.837000  
1 1 1 9  8  19 o 78.11000 1.448000  -8.811000      2.897000  
1 1 1 9  8  21 o 67.94000 1.514000  -1.378000      3.028000  
1 1 1 9  8  23 o 152.2000 2.066000  3.690000       4.132000  
1 1 1 9  8  25 o 83.23000 1.493000  -6.438000      2.985000  
1 1 1 9  8  27 o 15.37000 1.431000  -3.762000      2.861000  
1 1 1 9  8  29 o 13.59000 1.812000  2.713000       3.624000  
1 1 1 9  8  31 o 36.82000 1.206000  1.328000       2.412000  
1 1 1 9  8  33 o 18.81000 1.403000  2.318000       2.806000  
1 1 1 9  8  35 o 13.86000 1.883000  -4.113000      3.766000  
1 1 1 9  8  37 o 8.788000 2.226000  -2.208000      4.452000  
1 1 1 9  8  39 o 24.99000 1.400000  1.821000       2.800000  
1 1 1 9  8  41 o 37.56000 1.852000  -3.827000      3.704000  
1 1 1 9  8  43 o 38.12000 1.715000  8.511000       3.429000  
1 1 1 9  8  45 o 20.09000 2.392000  4.261000       4.784000  
1 1 1 9  8  47 o 11.20000 3.314000  4.846000       6.629000  
1 1 1 9  8  49 o 24.45000 2.642000  ?              ?         
1 1 1 9  9  0  o 32.94000 0.8057000 0.000000       0.000000  
1 1 1 9  9  2  o 81.14000 1.294000  -0.7545000     2.589000  
1 1 1 9  9  4  o 73.33000 1.008000  1.708000       2.016000  
1 1 1 9  9  6  o 29.34000 0.6213000 0.5599000      1.243000  
1 1 1 9  9  8  o 64.69000 0.9143000 -0.4210000     1.829000  
1 1 1 9  9  10 o 57.96000 1.111000  0.6990000      2.223000  
1 1 1 9  9  12 o 111.3000 1.442000  1.721000       2.884000  
1 1 1 9  9  14 o 169.7000 2.178000  2.440000       4.356000  
1 1 1 9  9  16 o 53.25000 0.8418000 2.463000       1.684000  
1 1 1 9  9  18 o 47.28000 1.650000  -3.938000      3.301000  
1 1 1 9  9  20 o 24.63000 1.072000  -1.274000      2.144000  
1 1 1 9  9  22 o 134.9000 1.860000  -1.233000      3.719000  
1 1 1 9  9  24 o 133.6000 2.482000  2.378000       4.964000  
1 1 1 9  9  26 o 50.06000 1.125000  -0.8477000     2.250000  
1 1 1 9  9  28 o 54.96000 1.167000  -1.591000      2.334000  
1 1 1 9  9  30 o 23.50000 1.348000  -4.827000      2.695000  
1 1 1 9  9  32 o 47.27000 1.067000  1.165000       2.135000  
1 1 1 9  9  34 o 46.73000 1.120000  -2.905000      2.239000  
1 1 1 9  9  36 o 23.15000 1.236000  -1.328000      2.472000  
1 1 1 9  9  38 f 7.287000 2.154000  -3.162000      4.307000  
1 1 1 9  9  40 f 12.04000 2.528000  4.749000       5.056000  
1 1 1 9  9  42 o 81.06000 1.828000  -5.764000      3.656000  
1 1 1 9  9  44 o 56.45000 1.539000  -6.307000      3.079000  
1 1 1 9  9  46 o 12.37000 2.627000  2.975000       5.254000  
1 1 1 9  9  48 o 18.97000 4.272000  0.5764000      8.544000  
1 1 1 9  10 1  o 25.03000 0.7294000 -2.041000      1.459000  
1 1 1 9  10 3  o 39.56000 0.6726000 2.592000       1.345000  
1 1 1 9  10 5  f 53.56000 0.7959000 -1.298000      1.592000  
1 1 1 9  10 7  o 21.04000 0.7688000 -2.455000      1.538000  
1 1 1 9  10 9  o 41.59000 0.7045000 -1.239000      1.409000  
1 1 1 9  10 11 o 94.32000 1.285000  -0.7248000     2.571000  
1 1 1 9  10 13 f 111.8000 1.455000  1.034000       2.910000  
1 1 1 9  10 15 o 26.82000 0.6374000 -1.697000      1.275000  
1 1 1 9  10 17 o 58.98000 0.8752000 -0.2504000     1.750000  
1 1 1 9  10 19 o 85.96000 1.271000  1.692000       2.541000  
1 1 1 9  10 21 o 111.7000 1.661000  1.106000       3.321000  
1 1 1 9  10 23 o 48.35000 1.238000  -0.1913000     2.475000  
1 1 1 9  10 25 o 57.15000 2.266000  3.083000       4.532000  
1 1 1 9  10 27 f 34.00000 1.133000  2.852000       2.266000  
1 1 1 9  10 29 o 38.10000 1.134000  1.005000       2.269000  
1 1 1 9  10 31 o 36.27000 1.041000  -1.337000      2.082000  
1 1 1 9  10 33 o 19.45000 1.428000  -0.5747000     2.855000  
1 1 1 9  10 35 o 14.38000 1.817000  -1.473000      3.634000  
1 1 1 9  10 37 o 12.73000 1.953000  -2.303000      3.905000  
1 1 1 9  10 39 o 37.12000 1.212000  -2.022000      2.424000  
1 1 1 9  10 41 o 28.59000 2.030000  -3.347000      4.060000  
1 1 1 9  10 43 o 48.71000 1.371000  3.426000       2.741000  
1 1 1 9  10 45 o 9.638000 2.781000  -4.254000      5.563000  
1 1 1 9  10 47 o 31.24000 1.940000  -2.085000      3.879000  
1 1 1 9  10 49 o 17.56000 3.819000  ?              ?         
1 1 1 9  11 0  o 59.71000 1.355000  0.000000       0.000000  
1 1 1 9  11 2  o 9.466000 1.398000  -0.1720000     2.797000  
1 1 1 9  11 4  o 96.26000 1.356000  -0.3385000     2.712000  
1 1 1 9  11 6  o 83.72000 1.201000  0.8082000      2.402000  
1 1 1 9  11 8  f 137.9000 1.834000  0.7530000      3.668000  
1 1 1 9  11 10 o 61.02000 0.8955000 -0.2262000     1.791000  
1 1 1 9  11 12 o 113.5000 1.524000  -2.035000      3.049000  
1 1 1 9  11 14 o 82.23000 1.149000  1.587000       2.297000  
1 1 1 9  11 16 o 51.17000 0.8973000 -0.8404000E-02 1.795000  
1 1 1 9  11 18 o 20.35000 1.176000  -4.338000      2.351000  
1 1 1 9  11 20 o 83.76000 1.338000  5.262000       2.677000  
1 1 1 9  11 22 o 95.35000 1.614000  -4.803000      3.229000  
1 1 1 9  11 24 o 69.36000 1.352000  -0.7687000     2.704000  
1 1 1 9  11 26 o 75.42000 1.311000  -3.873000      2.622000  
1 1 1 9  11 28 o 60.27000 1.394000  1.315000       2.788000  
1 1 1 9  11 30 o 46.52000 1.065000  0.7940000      2.130000  
1 1 1 9  11 32 o 60.30000 1.168000  2.344000       2.336000  
1 1 1 9  11 34 o 46.50000 1.126000  1.755000       2.252000  
1 1 1 9  11 36 o 15.03000 1.665000  -1.945000      3.330000  
1 1 1 9  11 38 o 19.06000 1.516000  1.601000       3.033000  
1 1 1 9  11 40 o 38.26000 1.585000  -3.332000      3.169000  
1 1 1 9  11 42 f 24.33000 1.821000  -1.845000      3.643000  
1 1 1 9  11 44 o 16.11000 2.258000  9.759000       4.516000  
1 1 1 9  11 46 o 14.86000 2.685000  2.421000       5.371000  
1 1 1 9  11 48 o 20.84000 2.625000  6.761000       5.250000  
1 1 1 9  12 1  o 79.18000 1.133000  -0.3952000     2.266000  
1 1 1 9  12 3  o 46.09000 0.7751000 0.2864000      1.550000  
1 1 1 9  12 5  o 58.19000 0.8824000 1.038000       1.765000  
1 1 1 9  12 7  o 14.93000 0.9336000 -1.312000      1.867000  
1 1 1 9  12 9  o 30.86000 1.101000  -2.604000      2.202000  
1 1 1 9  12 11 o 71.53000 1.022000  0.1606000      2.045000  
1 1 1 9  12 13 o 55.40000 0.8644000 -2.848000      1.729000  
1 1 1 9  12 15 o 88.84000 1.257000  0.5246000      2.514000  
1 1 1 9  12 17 o 95.57000 1.362000  -1.285000      2.725000  
1 1 1 9  12 19 o 48.81000 1.432000  -1.578000      2.864000  
1 1 1 9  12 21 o 95.56000 1.326000  2.149000       2.652000  
1 1 1 9  12 23 o 74.56000 1.417000  -0.1326000E-01 2.835000  
1 1 1 9  12 25 o 35.40000 0.9589000 0.2867000      1.918000  
1 1 1 9  12 27 o 34.76000 1.048000  -1.775000      2.097000  
1 1 1 9  12 29 o 31.71000 0.9738000 -1.807000      1.948000  
1 1 1 9  12 31 o 33.38000 1.036000  1.358000       2.072000  
1 1 1 9  12 33 o 21.00000 1.275000  5.452000       2.549000  
1 1 1 9  12 35 o 45.88000 1.106000  0.9430000      2.212000  
1 1 1 9  12 37 o 12.90000 2.072000  2.265000       4.145000  
1 1 1 9  12 39 o 11.66000 2.629000  -0.5282000     5.257000  
1 1 1 9  12 41 o 35.38000 1.679000  5.022000       3.358000  
1 1 1 9  12 43 f 26.31000 1.451000  -3.396000      2.902000  
1 1 1 9  12 45 o 39.58000 1.553000  -7.930000      3.107000  
1 1 1 9  12 47 o 27.36000 2.116000  -5.919000      4.232000  
1 1 1 9  13 0  o 70.64000 1.566000  0.000000       0.000000  
1 1 1 9  13 2  o 6.613000 1.692000  0.7448000      3.385000  
1 1 1 9  13 4  o 79.15000 1.148000  2.787000       2.295000  
1 1 1 9  13 6  o 116.1000 1.623000  -0.1450000E-02 3.245000  
1 1 1 9  13 8  o 132.8000 1.854000  -0.6282000     3.708000  
1 1 1 9  13 10 o 20.07000 1.006000  -5.272000      2.013000  
1 1 1 9  13 12 o 99.24000 1.359000  0.8525000      2.719000  
1 1 1 9  13 14 o 41.18000 0.8822000 -0.8142000     1.764000  
1 1 1 9  13 16 o 66.83000 1.109000  -3.954000      2.218000  
1 1 1 9  13 18 o 4.537000 1.563000  0.1124000      3.126000  
1 1 1 9  13 20 o 20.37000 1.052000  -3.643000      2.105000  
1 1 1 9  13 22 o 37.94000 0.8730000 0.4770000E-01  1.746000  
1 1 1 9  13 24 o 69.46000 1.366000  -3.223000      2.731000  
1 1 1 9  13 26 o 59.27000 1.153000  -0.5672000     2.306000  
1 1 1 9  13 28 o 43.95000 1.073000  2.439000       2.146000  
1 1 1 9  13 30 f 32.96000 1.006000  0.9417000      2.012000  
1 1 1 9  13 32 o 35.69000 1.027000  -1.904000      2.054000  
1 1 1 9  13 34 o 40.30000 1.063000  0.7050000      2.127000  
1 1 1 9  13 36 o 31.74000 1.129000  -1.574000      2.258000  
1 1 1 9  13 38 o 32.78000 1.337000  2.513000       2.675000  
1 1 1 9  13 40 o 22.87000 2.410000  -4.230000      4.821000  
1 1 1 9  13 42 o 23.86000 1.756000  4.851000       3.512000  
1 1 1 9  13 44 o 52.32000 1.363000  2.316000       2.727000  
1 1 1 9  13 46 f 12.93000 2.880000  0.1854000      5.760000  
1 1 1 9  13 48 o 8.699000 2.912000  -0.1718000     5.824000  
1 1 1 9  14 1  o 139.1000 1.791000  -5.524000      3.581000  
1 1 1 9  14 3  o 64.31000 0.9022000 1.953000       1.804000  
1 1 1 9  14 5  o 101.2000 1.437000  -0.2973000     2.874000  
1 1 1 9  14 7  o 59.08000 0.9209000 3.370000       1.842000  
1 1 1 9  14 9  o 46.03000 0.9370000 -0.1643000     1.874000  
1 1 1 9  14 11 o 86.99000 1.220000  -0.6287000     2.440000  
1 1 1 9  14 13 o 72.60000 1.126000  0.7001000      2.253000  
1 1 1 9  14 15 o 139.9000 1.892000  -0.8583000     3.784000  
1 1 1 9  14 17 o 39.17000 1.154000  1.561000       2.309000  
1 1 1 9  14 19 o 13.09000 4.197000  4.902000       8.393000  
1 1 1 9  14 21 o 114.1000 1.827000  2.994000       3.655000  
1 1 1 9  14 23 o 27.57000 0.7843000 -0.5082000E-01 1.569000  
1 1 1 9  14 25 o 38.70000 1.668000  0.5363000      3.335000  
1 1 1 9  14 27 f 17.62000 2.786000  4.007000       5.572000  
1 1 1 9  14 29 o 65.59000 1.523000  4.191000       3.045000  
1 1 1 9  14 31 o 39.24000 1.018000  -2.485000      2.036000  
1 1 1 9  14 33 o 12.91000 1.692000  0.9577000      3.385000  
1 1 1 9  14 35 o 26.32000 1.094000  -0.4474000E-01 2.188000  
1 1 1 9  14 37 o 12.23000 2.128000  0.9438000      4.257000  
1 1 1 9  14 39 o 36.62000 1.911000  -1.779000      3.822000  
1 1 1 9  14 41 o 20.98000 1.894000  0.6361000      3.788000  
1 1 1 9  14 43 o 14.81000 2.277000  -3.100000      4.555000  
1 1 1 9  14 45 o 13.29000 2.498000  1.167000       4.996000  
1 1 1 9  14 47 o 22.68000 2.484000  ?              ?         
1 1 1 9  15 0  o 57.39000 1.198000  0.000000       0.000000  
1 1 1 9  15 2  o 55.71000 0.8367000 -0.3072000     1.673000  
1 1 1 9  15 4  o 74.38000 1.030000  0.9892000      2.060000  
1 1 1 9  15 6  o 68.83000 1.055000  -0.3818000     2.109000  
1 1 1 9  15 8  f 107.3000 1.412000  -1.662000      2.824000  
1 1 1 9  15 10 o 83.89000 1.233000  -0.1783000     2.466000  
1 1 1 9  15 12 o 48.30000 0.9476000 -3.413000      1.895000  
1 1 1 9  15 14 o 22.63000 2.320000  -1.498000      4.640000  
1 1 1 9  15 16 o 22.41000 3.527000  0.1509000      7.054000  
1 1 1 9  15 18 o 15.79000 1.915000  -4.392000      3.831000  
1 1 1 9  15 20 o 110.6000 1.626000  -2.242000      3.251000  
1 1 1 9  15 22 o 27.90000 1.773000  4.960000       3.546000  
1 1 1 9  15 24 o 71.06000 1.167000  -3.357000      2.335000  
1 1 1 9  15 26 o 95.02000 1.726000  7.566000       3.452000  
1 1 1 9  15 28 o 35.01000 1.747000  -1.332000      3.494000  
1 1 1 9  15 30 o 32.95000 3.286000  2.753000       6.573000  
1 1 1 9  15 32 o 32.87000 2.451000  1.522000       4.903000  
1 1 1 9  15 34 o 55.46000 2.416000  5.414000       4.833000  
1 1 1 9  15 36 o 34.87000 1.112000  1.467000       2.224000  
1 1 1 9  15 38 o 70.90000 1.739000  -4.094000      3.477000  
1 1 1 9  15 40 o 13.23000 2.548000  3.565000       5.096000  
1 1 1 9  15 42 o 35.78000 1.299000  -4.387000      2.598000  
1 1 1 9  15 44 o 11.50000 2.570000  -5.148000      5.141000  
1 1 1 9  15 46 o 18.37000 3.441000  9.221000       6.883000  
1 1 1 9  16 1  o 101.1000 1.334000  3.873000       2.668000  
1 1 1 9  16 3  o 105.2000 1.384000  0.8281000      2.769000  
1 1 1 9  16 5  o 102.8000 1.363000  5.701000       2.726000  
1 1 1 9  16 7  o 14.39000 1.724000  -2.114000      3.448000  
1 1 1 9  16 9  o 99.82000 1.449000  1.336000       2.897000  
1 1 1 9  16 11 o 61.16000 1.041000  -1.055000      2.081000  
1 1 1 9  16 13 o 37.57000 1.102000  -3.622000      2.203000  
1 1 1 9  16 15 o 74.80000 1.445000  5.991000       2.890000  
1 1 1 9  16 17 o 45.46000 1.502000  -2.939000      3.005000  
1 1 1 9  16 19 o 26.47000 1.171000  -3.830000      2.342000  
1 1 1 9  16 21 o 49.30000 1.061000  -0.1538000     2.122000  
1 1 1 9  16 23 o 38.49000 0.8812000 1.979000       1.762000  
1 1 1 9  16 25 o 44.68000 0.9556000 -0.5269000     1.911000  
1 1 1 9  16 27 o 38.73000 1.712000  0.7453000      3.423000  
1 1 1 9  16 29 o 44.47000 2.106000  2.020000       4.212000  
1 1 1 9  16 31 o 21.85000 4.000000  -2.167000      8.000000  
1 1 1 9  16 33 o 79.13000 2.154000  -2.698000      4.308000  
1 1 1 9  16 35 o 18.82000 3.678000  0.1213000      7.356000  
1 1 1 9  16 37 o 16.01000 3.121000  -7.025000      6.242000  
1 1 1 9  16 39 o 50.89000 1.724000  ?              ?         
1 1 1 9  16 41 o 13.44000 3.894000  5.859000       7.788000  
1 1 1 9  16 43 f 27.96000 4.331000  -8.393000      8.662000  
1 1 1 9  16 45 o 25.07000 3.762000  -11.74000      7.524000  
1 1 1 9  16 47 o 8.992000 2.927000  3.763000       5.855000  
1 1 1 9  17 0  o 123.7000 2.275000  0.000000       0.000000  
1 1 1 9  17 2  o 95.10000 1.270000  -1.140000      2.540000  
1 1 1 9  17 4  o 78.42000 1.093000  0.3368000      2.186000  
1 1 1 9  17 6  o 170.6000 2.381000  -5.317000      4.762000  
1 1 1 9  17 8  o 118.4000 1.566000  2.240000       3.133000  
1 1 1 9  17 10 o 43.58000 1.158000  0.4091000      2.316000  
1 1 1 9  17 12 o 78.21000 1.282000  4.007000       2.563000  
1 1 1 9  17 14 o 144.9000 2.012000  -4.442000      4.024000  
1 1 1 9  17 16 o 21.51000 1.976000  -0.4671000     3.952000  
1 1 1 9  17 18 o 42.43000 1.144000  0.3121000      2.288000  
1 1 1 9  17 20 o 65.14000 1.094000  1.903000       2.188000  
1 1 1 9  17 22 o 74.64000 1.312000  -4.053000      2.623000  
1 1 1 9  17 24 o 15.16000 1.334000  -3.327000      2.669000  
1 1 1 9  17 26 o 74.32000 1.356000  2.022000       2.712000  
1 1 1 9  17 28 o 29.79000 3.598000  -0.4722000     7.196000  
1 1 1 9  17 30 o 36.44000 3.765000  -4.567000      7.530000  
1 1 1 9  17 32 o 57.16000 1.931000  -3.558000      3.863000  
1 1 1 9  17 34 o 22.03000 3.463000  1.914000       6.925000  
1 1 1 9  17 36 o 23.27000 3.533000  -8.395000      7.067000  
1 1 1 9  17 38 o 53.93000 1.636000  ?              ?         
1 1 1 9  17 40 o 25.90000 4.464000  14.44000       8.927000  
1 1 1 9  17 42 o 22.76000 2.645000  -13.60000      5.290000  
1 1 1 9  17 44 o 16.28000 3.837000  0.5876000      7.674000  
1 1 1 9  17 46 o 48.69000 2.479000  -5.169000      4.959000  
1 1 1 9  18 1  o 149.4000 1.942000  -2.133000      3.885000  
1 1 1 9  18 3  o 7.861000 2.217000  0.3657000      4.434000  
1 1 1 9  18 5  o 31.41000 1.073000  1.021000       2.146000  
1 1 1 9  18 7  o 53.42000 0.9949000 3.033000       1.990000  
1 1 1 9  18 9  o 101.2000 1.499000  6.664000       2.997000  
1 1 1 9  18 11 o 116.1000 1.733000  -0.8114000     3.465000  
1 1 1 9  18 13 o 112.9000 2.444000  -0.2493000     4.887000  
1 1 1 9  18 15 o 67.71000 1.541000  6.459000       3.083000  
1 1 1 9  18 17 o 60.78000 1.583000  0.3071000      3.166000  
1 1 1 9  18 19 o 110.6000 1.847000  4.887000       3.694000  
1 1 1 9  18 21 o 25.72000 1.202000  1.242000       2.405000  
1 1 1 9  18 23 o 12.90000 1.772000  -1.930000      3.544000  
1 1 1 9  18 25 o 50.36000 1.133000  -0.8955000     2.266000  
1 1 1 9  18 27 o 11.19000 1.490000  2.923000       2.981000  
1 1 1 9  18 29 o 15.08000 3.660000  5.113000       7.321000  
1 1 1 9  18 31 f 21.46000 3.683000  0.8211000      7.365000  
1 1 1 9  18 33 o 41.64000 2.173000  -2.922000      4.346000  
1 1 1 9  18 35 o 58.83000 2.235000  -6.944000      4.470000  
1 1 1 9  18 37 o 31.88000 1.916000  ?              ?         
1 1 1 9  18 39 o 15.53000 4.449000  7.614000       8.898000  
1 1 1 9  18 41 o 38.93000 1.386000  ?              ?         
1 1 1 9  18 43 o 16.99000 3.955000  5.183000       7.911000  
1 1 1 9  18 45 o 16.16000 4.436000  -3.380000      8.872000  
1 1 1 9  19 0  o 62.71000 1.517000  0.000000       0.000000  
1 1 1 9  19 2  o 59.62000 1.024000  -2.055000      2.047000  
1 1 1 9  19 4  o 83.80000 1.394000  -1.426000      2.788000  
1 1 1 9  19 6  o 138.2000 1.838000  1.010000       3.675000  
1 1 1 9  19 8  o 79.44000 1.266000  -0.3267000     2.533000  
1 1 1 9  19 10 o 112.3000 1.646000  -0.1978000     3.292000  
1 1 1 9  19 12 o 149.5000 2.473000  0.7857000      4.947000  
1 1 1 9  19 14 o 20.99000 4.398000  2.536000       8.796000  
1 1 1 9  19 16 o 33.01000 1.366000  4.948000       2.733000  
1 1 1 9  19 18 o 48.06000 1.437000  0.1064000      2.873000  
1 1 1 9  19 20 o 43.94000 1.223000  -4.206000      2.446000  
1 1 1 9  19 22 o 28.62000 1.183000  3.754000       2.365000  
1 1 1 9  19 24 o 86.09000 1.431000  -3.740000      2.862000  
1 1 1 9  19 26 o 44.67000 0.9824000 -5.293000      1.965000  
1 1 1 9  19 28 o 26.90000 0.8755000 -2.397000      1.751000  
1 1 1 9  19 30 o 27.75000 3.396000  -0.8570000     6.792000  
1 1 1 9  19 32 o 16.18000 3.499000  2.417000       6.998000  
1 1 1 9  19 34 o 36.43000 3.055000  -6.309000      6.110000  
1 1 1 9  19 36 o 24.20000 3.491000  -19.16000      6.982000  
1 1 1 9  19 38 o 11.16000 3.417000  6.927000       6.833000  
1 1 1 9  19 40 o 14.13000 3.016000  -2.024000      6.032000  
1 1 1 9  19 42 f 36.07000 2.803000  -11.23000      5.606000  
1 1 1 9  19 44 f 30.71000 3.631000  -0.2131000     7.262000  
1 1 1 9  20 1  o 163.0000 2.138000  -6.419000      4.275000  
1 1 1 9  20 3  o 30.65000 1.659000  -0.2391000     3.319000  
1 1 1 9  20 5  o 42.76000 1.572000  1.144000       3.144000  
1 1 1 9  20 7  o 18.63000 3.561000  1.231000       7.121000  
1 1 1 9  20 9  o 66.97000 1.890000  -3.144000      3.780000  
1 1 1 9  20 11 o 35.25000 2.317000  1.407000       4.634000  
1 1 1 9  20 13 o 49.47000 1.437000  -4.421000      2.874000  
1 1 1 9  20 15 f 85.19000 1.525000  1.838000       3.049000  
1 1 1 9  20 17 o 80.92000 2.861000  3.378000       5.722000  
1 1 1 9  20 19 o 46.94000 1.358000  0.1851000      2.716000  
1 1 1 9  20 21 f 26.08000 1.526000  -3.088000      3.052000  
1 1 1 9  20 23 o 47.25000 1.270000  -4.932000      2.541000  
1 1 1 9  20 25 o 64.80000 1.251000  -4.517000      2.501000  
1 1 1 9  20 27 o 37.96000 2.428000  13.58000       4.855000  
1 1 1 9  20 29 o 34.89000 0.8961000 1.237000       1.792000  
1 1 1 9  20 31 o 52.86000 2.271000  10.27000       4.542000  
1 1 1 9  20 33 o 57.64000 2.235000  -2.186000      4.470000  
1 1 1 9  20 35 f 11.79000 3.436000  -2.917000      6.872000  
1 1 1 9  20 37 o 11.23000 3.491000  8.526000       6.982000  
1 1 1 9  20 39 o 19.23000 3.525000  -6.648000      7.050000  
1 1 1 9  20 41 o 13.21000 3.349000  2.703000       6.697000  
1 1 1 9  20 43 o 10.66000 3.533000  5.344000       7.067000  
1 1 1 9  20 45 o 9.424000 2.911000  0.9363000E-01  5.821000  
1 1 1 9  21 0  o 8.514000 3.898000  0.000000       0.000000  
1 1 1 9  21 2  o 13.31000 3.566000  0.3290000      7.133000  
1 1 1 9  21 6  o 114.9000 2.306000  -5.374000      4.611000  
1 1 1 9  21 8  o 121.7000 1.980000  -1.365000      3.960000  
1 1 1 9  21 10 o 87.37000 1.549000  3.310000       3.098000  
1 1 1 9  21 12 o 108.4000 1.887000  -1.245000      3.773000  
1 1 1 9  21 14 o 27.96000 1.351000  -1.683000      2.703000  
1 1 1 9  21 16 o 36.29000 1.245000  4.217000       2.490000  
1 1 1 9  21 18 o 25.31000 1.925000  -6.449000      3.850000  
1 1 1 9  21 20 o 35.23000 1.408000  -1.112000      2.815000  
1 1 1 9  21 22 o 56.31000 1.241000  -2.166000      2.481000  
1 1 1 9  21 24 o 71.50000 1.332000  2.105000       2.664000  
1 1 1 9  21 26 o 49.98000 1.141000  1.170000       2.283000  
1 1 1 9  21 28 o 19.39000 1.402000  1.083000       2.805000  
1 1 1 9  21 30 o 40.18000 0.9868000 0.9322000      1.974000  
1 1 1 9  21 32 o 24.40000 3.718000  -6.628000      7.437000  
1 1 1 9  21 34 o 13.33000 3.951000  6.341000       7.902000  
1 1 1 9  21 36 o 7.793000 3.876000  ?              ?         
1 1 1 9  21 38 o 23.84000 3.803000  -6.390000      7.607000  
1 1 1 9  21 40 o 29.11000 2.813000  -8.093000      5.627000  
1 1 1 9  21 42 o 42.73000 5.197000  -16.29000      10.39000  
1 1 1 9  21 44 o 39.45000 1.944000  ?              ?         
1 1 1 9  22 1  o 80.24000 1.654000  0.9606000      3.309000  
1 1 1 9  22 3  o 75.04000 1.674000  3.704000       3.348000  
1 1 1 9  22 5  o 12.64000 3.159000  7.213000       6.318000  
1 1 1 9  22 7  o 79.54000 1.427000  0.4171000      2.855000  
1 1 1 9  22 9  o 56.63000 1.473000  1.626000       2.947000  
1 1 1 9  22 11 o 105.5000 1.856000  -0.9027000     3.713000  
1 1 1 9  22 13 o 32.71000 1.206000  -5.562000      2.413000  
1 1 1 9  22 15 o 70.33000 1.199000  -2.389000      2.397000  
1 1 1 9  22 17 o 30.68000 1.450000  -0.1757000     2.900000  
1 1 1 9  22 19 o 33.45000 3.397000  -7.592000      6.794000  
1 1 1 9  22 21 o 19.45000 2.214000  0.9601000E-01  4.428000  
1 1 1 9  22 23 o 36.69000 3.182000  -10.29000      6.365000  
1 1 1 9  22 25 o 79.72000 1.520000  -3.690000      3.040000  
1 1 1 9  22 27 o 45.04000 1.171000  1.116000       2.342000  
1 1 1 9  22 29 o 27.95000 1.170000  -7.651000      2.341000  
1 1 1 9  22 31 o 25.83000 0.9291000 -3.683000      1.858000  
1 1 1 9  22 33 o 30.25000 3.838000  -4.926000      7.675000  
1 1 1 9  22 35 o 8.127000 4.059000  ?              ?         
1 1 1 9  22 37 o 22.32000 3.976000  0.7011000      7.953000  
1 1 1 9  22 39 o 27.87000 2.485000  -12.24000      4.971000  
1 1 1 9  22 41 o 15.80000 4.165000  5.378000       8.330000  
1 1 1 9  22 43 o 11.60000 3.568000  -4.001000      7.137000  
1 1 1 9  23 0  o 17.03000 5.471000  0.000000       0.000000  
1 1 1 9  23 2  o 95.81000 1.773000  0.4340000E-01  3.546000  
1 1 1 9  23 4  o 16.23000 3.971000  2.697000       7.941000  
1 1 1 9  23 6  o 65.96000 1.469000  0.5125000      2.939000  
1 1 1 9  23 8  o 86.78000 1.563000  -2.098000      3.126000  
1 1 1 9  23 10 f 41.98000 1.171000  -2.989000      2.342000  
1 1 1 9  23 12 o 74.93000 1.630000  6.704000       3.261000  
1 1 1 9  23 14 o 34.45000 1.363000  2.389000       2.726000  
1 1 1 9  23 16 o 73.98000 1.241000  -3.190000      2.482000  
1 1 1 9  23 18 o 53.71000 1.251000  -0.7815000     2.502000  
1 1 1 9  23 20 o 55.01000 2.155000  0.5450000E-01  4.310000  
1 1 1 9  23 22 o 26.85000 1.697000  2.611000       3.394000  
1 1 1 9  23 24 o 35.22000 1.544000  2.451000       3.087000  
1 1 1 9  23 26 o 36.83000 1.313000  -0.1222000     2.627000  
1 1 1 9  23 28 o 19.81000 1.757000  -0.8868000     3.513000  
1 1 1 9  23 30 o 20.03000 1.675000  -1.026000      3.349000  
1 1 1 9  23 32 o 21.50000 1.188000  -0.4037000     2.376000  
1 1 1 9  23 34 o 16.08000 2.844000  -9.975000      5.687000  
1 1 1 9  23 36 o 34.21000 3.640000  -3.559000      7.280000  
1 1 1 9  23 38 o 20.99000 3.391000  -1.932000      6.782000  
1 1 1 9  23 40 o 12.93000 3.956000  3.370000       7.912000  
1 1 1 9  23 42 o 23.70000 4.309000  -1.170000      8.618000  
1 1 1 9  24 1  o 77.36000 1.448000  -7.653000      2.895000  
1 1 1 9  24 3  o 65.19000 1.903000  ?              ?         
1 1 1 9  24 5  o 40.01000 1.714000  -0.7105000     3.428000  
1 1 1 9  24 7  f 143.3000 2.219000  -3.138000      4.439000  
1 1 1 9  24 9  o 120.2000 1.994000  -9.606000      3.988000  
1 1 1 9  24 11 o 69.05000 1.384000  -3.546000      2.767000  
1 1 1 9  24 13 o 55.74000 1.447000  -0.1125000     2.893000  
1 1 1 9  24 15 o 91.09000 1.552000  -2.973000      3.104000  
1 1 1 9  24 17 o 52.57000 1.252000  -0.6069000E-01 2.504000  
1 1 1 9  24 19 o 54.77000 1.235000  -0.6054000     2.469000  
1 1 1 9  24 21 o 54.90000 2.144000  -6.928000      4.288000  
1 1 1 9  24 23 o 9.615000 2.765000  3.932000       5.531000  
1 1 1 9  24 25 o 13.19000 2.653000  2.971000       5.305000  
1 1 1 9  24 27 f 31.02000 1.652000  1.303000       3.303000  
1 1 1 9  24 29 o 9.784000 2.793000  0.2902000      5.587000  
1 1 1 9  24 31 o 30.09000 1.438000  1.829000       2.877000  
1 1 1 9  24 33 o 50.16000 3.183000  3.113000       6.366000  
1 1 1 9  24 35 o 52.23000 3.352000  3.110000       6.705000  
1 1 1 9  24 37 o 29.36000 2.978000  -10.13000      5.957000  
1 1 1 9  24 39 o 13.36000 4.101000  5.213000       8.201000  
1 1 1 9  24 41 o 16.03000 5.045000  10.35000       10.09000  
1 1 1 9  24 43 o 12.80000 3.747000  1.761000       7.494000  
1 1 1 9  25 0  o 40.84000 1.971000  0.000000       0.000000  
1 1 1 9  25 2  o 76.09000 1.504000  -0.4855000     3.008000  
1 1 1 9  25 4  o 118.4000 1.986000  0.8644000E-01  3.971000  
1 1 1 9  25 6  o 97.64000 1.666000  -12.19000      3.332000  
1 1 1 9  25 8  o 48.20000 1.241000  0.5442000E-01  2.481000  
1 1 1 9  25 10 f 24.54000 1.873000  -3.333000      3.747000  
1 1 1 9  25 12 o 41.68000 1.646000  0.6198000      3.292000  
1 1 1 9  25 14 o 51.16000 1.474000  0.8867000      2.947000  
1 1 1 9  25 16 o 45.83000 1.656000  -1.150000      3.312000  
1 1 1 9  25 18 o 47.30000 1.585000  -5.434000      3.169000  
1 1 1 9  25 20 o 37.89000 1.672000  -5.033000      3.343000  
1 1 1 9  25 22 o 61.94000 1.586000  -0.2530000     3.173000  
1 1 1 9  25 24 o 12.51000 3.956000  5.324000       7.911000  
1 1 1 9  25 26 o 35.76000 1.892000  -2.947000      3.785000  
1 1 1 9  25 28 o 51.84000 1.482000  1.319000       2.963000  
1 1 1 9  25 30 o 34.38000 2.635000  -2.875000      5.271000  
1 1 1 9  25 32 o 59.72000 3.136000  9.322000       6.272000  
1 1 1 9  25 34 o 39.51000 4.263000  -9.495000      8.526000  
1 1 1 9  25 36 o 47.51000 2.632000  -2.695000      5.263000  
1 1 1 9  25 38 o 21.13000 3.803000  3.878000       7.606000  
1 1 1 9  25 40 o 11.91000 4.167000  9.413000       8.334000  
1 1 1 9  25 42 o 10.95000 2.912000  -3.154000      5.825000  
1 1 1 9  26 1  o 22.02000 2.244000  0.5569000E-01  4.487000  
1 1 1 9  26 3  o 22.58000 2.624000  1.090000       5.248000  
1 1 1 9  26 5  o 66.41000 1.324000  -1.610000      2.648000  
1 1 1 9  26 7  o 14.81000 3.099000  -3.627000      6.198000  
1 1 1 9  26 9  o 15.80000 3.224000  -0.9153000E-01 6.449000  
1 1 1 9  26 11 o 63.04000 1.382000  2.017000       2.764000  
1 1 1 9  26 13 o 92.61000 1.572000  -1.442000      3.145000  
1 1 1 9  26 15 o 46.95000 1.520000  -6.430000      3.041000  
1 1 1 9  26 17 o 28.27000 2.012000  -4.759000      4.024000  
1 1 1 9  26 19 o 34.76000 1.390000  -0.7060000     2.779000  
1 1 1 9  26 21 o 54.71000 1.310000  -0.3700000     2.621000  
1 1 1 9  26 23 f 53.80000 1.485000  6.909000       2.969000  
1 1 1 9  26 25 o 30.50000 5.068000  -2.062000      10.14000  
1 1 1 9  26 27 o 21.24000 2.405000  6.192000       4.810000  
1 1 1 9  26 29 o 10.94000 3.219000  3.457000       6.438000  
1 1 1 9  26 31 o 54.43000 1.889000  -0.7118000     3.779000  
1 1 1 9  26 33 o 31.06000 1.544000  -1.443000      3.088000  
1 1 1 9  26 35 o 33.96000 4.217000  2.316000       8.434000  
1 1 1 9  26 37 f 36.86000 5.237000  -17.50000      10.47000  
1 1 1 9  26 39 o 28.22000 4.205000  3.072000       8.411000  
1 1 1 9  26 41 o 40.75000 2.219000  ?              ?         
1 1 1 9  27 0  o 17.50000 5.132000  0.000000       0.000000  
1 1 1 9  27 2  o 39.79000 1.538000  3.130000       3.077000  
1 1 1 9  27 4  o 78.67000 1.299000  -1.023000      2.597000  
1 1 1 9  27 6  o 75.12000 1.306000  -0.3619000     2.612000  
1 1 1 9  27 8  o 15.55000 3.116000  0.4413000E-01  6.232000  
1 1 1 9  27 10 o 41.04000 1.982000  2.469000       3.964000  
1 1 1 9  27 12 o 17.32000 2.966000  -0.4532000     5.932000  
1 1 1 9  27 14 o 12.61000 3.264000  -2.567000      6.529000  
1 1 1 9  27 16 o 51.27000 1.620000  0.2744000      3.240000  
1 1 1 9  27 18 o 46.51000 1.513000  3.596000       3.027000  
1 1 1 9  27 20 o 27.69000 2.274000  2.158000       4.547000  
1 1 1 9  27 22 o 63.21000 1.526000  2.591000       3.052000  
1 1 1 9  27 24 o 55.25000 1.535000  1.823000       3.071000  
1 1 1 9  27 26 o 18.66000 4.329000  -6.855000      8.658000  
1 1 1 9  27 28 o 17.12000 3.591000  10.45000       7.183000  
1 1 1 9  27 30 o 49.20000 2.220000  -2.655000      4.439000  
1 1 1 9  27 32 o 18.69000 2.683000  1.962000       5.366000  
1 1 1 9  27 34 o 7.845000 3.287000  ?              ?         
1 1 1 9  27 36 o 25.28000 3.327000  -6.595000      6.655000  
1 1 1 9  27 38 o 18.14000 3.556000  0.6647000      7.111000  
1 1 1 9  27 40 f 24.50000 2.526000  7.049000       5.053000  
1 1 1 9  28 1  o 68.46000 1.462000  1.856000       2.924000  
1 1 1 9  28 3  o 74.11000 1.312000  -0.2748000     2.625000  
1 1 1 9  28 5  o 38.25000 1.778000  -1.498000      3.556000  
1 1 1 9  28 7  o 16.03000 3.403000  0.8014000      6.805000  
1 1 1 9  28 9  o 40.04000 1.508000  -1.963000      3.016000  
1 1 1 9  28 11 o 86.71000 1.396000  0.2389000      2.792000  
1 1 1 9  28 13 o 43.47000 1.426000  -2.055000      2.852000  
1 1 1 9  28 15 o 24.16000 2.189000  -2.298000      4.378000  
1 1 1 9  28 17 o 32.30000 1.744000  -2.784000      3.488000  
1 1 1 9  28 19 o 36.92000 1.496000  -0.7025000     2.991000  
1 1 1 9  28 21 o 31.46000 1.790000  5.803000       3.581000  
1 1 1 9  28 23 o 11.37000 2.989000  -0.8199000     5.977000  
1 1 1 9  28 25 o 33.64000 1.929000  -4.049000      3.859000  
1 1 1 9  28 27 o 10.04000 2.696000  -3.165000      5.391000  
1 1 1 9  28 29 o 46.11000 3.522000  -3.917000      7.044000  
1 1 1 9  28 31 o 16.70000 4.079000  2.195000       8.157000  
1 1 1 9  28 33 o 12.81000 3.082000  5.796000       6.164000  
1 1 1 9  28 35 o 10.37000 2.553000  -0.2883000     5.105000  
1 1 1 9  28 37 o 11.31000 3.762000  8.900000       7.523000  
1 1 1 9  28 39 o 23.98000 2.320000  -8.070000      4.640000  
1 1 1 9  29 0  o 15.61000 5.780000  0.000000       0.000000  
1 1 1 9  29 2  o 100.7000 1.527000  1.232000       3.054000  
1 1 1 9  29 4  o 13.18000 3.455000  0.9920000      6.910000  
1 1 1 9  29 6  o 10.72000 3.129000  2.208000       6.258000  
1 1 1 9  29 8  o 31.41000 2.161000  4.523000       4.322000  
1 1 1 9  29 10 o 68.54000 1.348000  -0.6310000     2.697000  
1 1 1 9  29 12 o 26.69000 2.364000  2.575000       4.729000  
1 1 1 9  29 14 o 33.54000 2.223000  0.5133000      4.447000  
1 1 1 9  29 16 o 17.25000 3.121000  4.409000       6.243000  
1 1 1 9  29 18 o 22.47000 2.511000  -0.9671000     5.022000  
1 1 1 9  29 20 o 43.85000 1.490000  0.7729000E-02  2.979000  
1 1 1 9  29 22 o 38.82000 1.666000  1.743000       3.332000  
1 1 1 9  29 24 o 18.15000 4.151000  2.561000       8.302000  
1 1 1 9  29 26 o 9.225000 2.954000  2.825000       5.908000  
1 1 1 9  29 28 o 34.16000 2.353000  1.994000       4.706000  
1 1 1 9  29 30 o 35.22000 5.860000  -4.526000      11.72000  
1 1 1 9  29 32 o 25.15000 2.700000  -0.3893000     5.401000  
1 1 1 9  29 34 o 9.445000 2.726000  1.384000       5.452000  
1 1 1 9  29 36 o 10.12000 2.745000  4.966000       5.491000  
1 1 1 9  29 38 o 9.649000 2.732000  -0.1760000     5.464000  
1 1 1 9  30 1  o 22.15000 2.885000  2.899000       5.770000  
1 1 1 9  30 3  o 39.45000 1.635000  1.869000       3.270000  
1 1 1 9  30 5  o 49.77000 1.666000  1.932000       3.331000  
1 1 1 9  30 7  o 29.39000 2.194000  -1.779000      4.387000  
1 1 1 9  30 9  o 40.66000 1.623000  -1.008000      3.247000  
1 1 1 9  30 11 o 36.61000 2.154000  -3.355000      4.307000  
1 1 1 9  30 13 o 29.69000 2.145000  -3.775000      4.290000  
1 1 1 9  30 15 o 12.31000 3.240000  -1.535000      6.480000  
1 1 1 9  30 17 o 32.24000 1.890000  -0.5794000     3.780000  
1 1 1 9  30 19 o 27.58000 2.069000  -1.499000      4.137000  
1 1 1 9  30 21 o 44.60000 1.671000  1.607000       3.343000  
1 1 1 9  30 23 o 17.43000 3.665000  0.6133000      7.329000  
1 1 1 9  30 25 o 14.16000 3.562000  3.429000       7.125000  
1 1 1 9  30 27 o 19.34000 5.129000  11.56000       10.26000  
1 1 1 9  30 29 o 9.973000 3.165000  4.321000       6.330000  
1 1 1 9  30 31 o 19.50000 4.487000  8.466000       8.973000  
1 1 1 9  30 33 o 14.54000 3.236000  0.3819000      6.471000  
1 1 1 9  30 35 o 12.23000 3.048000  1.467000       6.095000  
1 1 1 9  30 37 f 12.94000 2.668000  -4.365000      5.336000  
1 1 1 9  31 0  o 10.48000 4.507000  0.000000       0.000000  
1 1 1 9  31 2  o 54.77000 1.495000  0.1016000      2.991000  
1 1 1 9  31 4  o 46.52000 1.533000  -0.4938000     3.067000  
1 1 1 9  31 6  o 26.85000 2.344000  2.798000       4.688000  
1 1 1 9  31 8  o 21.70000 4.120000  6.724000       8.240000  
1 1 1 9  31 10 o 75.15000 1.513000  0.1041000      3.027000  
1 1 1 9  31 12 o 49.14000 1.650000  -0.3601000     3.301000  
1 1 1 9  31 14 o 43.75000 1.680000  1.590000       3.359000  
1 1 1 9  31 16 o 17.59000 3.255000  -3.281000      6.510000  
1 1 1 9  31 18 o 46.23000 1.609000  1.179000       3.219000  
1 1 1 9  31 20 o 20.92000 3.746000  0.2771000      7.493000  
1 1 1 9  31 22 o 26.69000 2.852000  7.677000       5.704000  
1 1 1 9  31 24 o 14.20000 7.086000  ?              ?         
1 1 1 9  31 26 o 16.76000 4.241000  8.283000       8.482000  
1 1 1 9  31 28 o 34.51000 2.233000  5.250000       4.466000  
1 1 1 9  31 30 o 27.86000 2.181000  -4.980000      4.363000  
1 1 1 9  31 32 o 20.61000 4.000000  -2.183000      7.999000  
1 1 1 9  31 34 o 20.02000 3.279000  -3.527000      6.558000  
1 1 1 9  31 36 o 6.117000 2.150000  2.064000       4.301000  
1 1 1 9  32 1  f 30.64000 2.166000  0.4426000      4.333000  
1 1 1 9  32 3  o 80.73000 1.500000  -3.302000      3.000000  
1 1 1 9  32 5  o 77.05000 1.461000  -3.342000      2.923000  
1 1 1 9  32 7  o 52.64000 1.802000  5.130000       3.604000  
1 1 1 9  32 9  o 50.58000 1.800000  -0.8516000     3.600000  
1 1 1 9  32 11 f 12.02000 3.460000  -0.9554000     6.920000  
1 1 1 9  32 13 o 53.14000 1.673000  6.609000       3.346000  
1 1 1 9  32 15 o 52.77000 1.799000  5.032000       3.597000  
1 1 1 9  32 17 o 38.41000 2.191000  3.829000       4.383000  
1 1 1 9  32 19 o 35.77000 2.826000  -2.156000      5.652000  
1 1 1 9  32 21 o 20.45000 3.080000  11.44000       6.160000  
1 1 1 9  32 23 o 17.83000 3.875000  2.674000       7.750000  
1 1 1 9  32 25 o 13.23000 3.500000  11.35000       6.999000  
1 1 1 9  32 27 o 16.15000 3.427000  -2.396000      6.853000  
1 1 1 9  32 29 o 24.53000 2.738000  -4.766000      5.477000  
1 1 1 9  32 31 o 27.65000 2.684000  -5.112000      5.369000  
1 1 1 9  32 33 o 16.88000 2.741000  -6.484000      5.481000  
1 1 1 9  32 35 o 14.86000 2.722000  -7.698000      5.445000  
1 1 1 9  33 0  o 17.32000 5.322000  0.000000       0.000000  
1 1 1 9  33 2  o 58.93000 1.705000  1.838000       3.409000  
1 1 1 9  33 4  o 65.04000 1.508000  0.8294000      3.016000  
1 1 1 9  33 6  o 42.40000 1.830000  1.668000       3.660000  
1 1 1 9  33 8  o 23.25000 3.110000  1.027000       6.219000  
1 1 1 9  33 10 o 20.82000 3.216000  0.3045000      6.431000  
1 1 1 9  33 12 o 29.61000 2.619000  0.3545000E-01  5.237000  
1 1 1 9  33 14 o 37.56000 2.202000  3.414000       4.405000  
1 1 1 9  33 16 o 13.35000 3.946000  -2.700000      7.893000  
1 1 1 9  33 18 o 38.80000 2.236000  3.859000       4.472000  
1 1 1 9  33 20 o 12.75000 3.601000  10.49000       7.202000  
1 1 1 9  33 22 o 64.18000 1.931000  8.811000       3.861000  
1 1 1 9  33 24 o 8.400000 3.873000  ?              ?         
1 1 1 9  33 26 o 12.45000 3.477000  -0.8730000     6.954000  
1 1 1 9  33 28 o 22.78000 3.422000  -7.764000      6.844000  
1 1 1 9  33 30 o 29.59000 2.685000  -2.633000      5.371000  
1 1 1 9  33 32 o 11.46000 2.958000  0.7701000      5.916000  
1 1 1 9  33 34 o 7.747000 2.294000  4.202000       4.587000  
1 1 1 9  34 1  o 12.01000 3.524000  -0.6672000     7.049000  
1 1 1 9  34 3  o 53.04000 1.751000  3.266000       3.501000  
1 1 1 9  34 5  o 32.02000 2.300000  -1.315000      4.600000  
1 1 1 9  34 7  o 29.40000 2.446000  -1.259000      4.892000  
1 1 1 9  34 9  o 21.80000 3.426000  -4.492000      6.853000  
1 1 1 9  34 11 o 36.04000 2.089000  1.702000       4.178000  
1 1 1 9  34 13 o 37.73000 2.158000  1.077000       4.315000  
1 1 1 9  34 15 o 43.69000 2.658000  2.628000       5.316000  
1 1 1 9  34 17 o 9.228000 3.000000  -1.513000      6.000000  
1 1 1 9  34 23 o 17.74000 2.985000  13.26000       5.970000  
1 1 1 9  34 25 o 28.53000 2.903000  5.492000       5.805000  
1 1 1 9  34 27 o 29.67000 2.371000  1.512000       4.743000  
1 1 1 9  34 29 o 20.79000 3.565000  2.144000       7.129000  
1 1 1 9  34 31 o 11.80000 2.773000  -3.875000      5.545000  
1 1 1 9  34 33 o 19.77000 2.729000  -13.66000      5.459000  
1 1 1 9  35 0  o 16.43000 5.134000  0.000000       0.000000  
1 1 1 9  35 2  o 15.81000 3.760000  6.416000       7.520000  
1 1 1 9  35 4  o 30.61000 2.999000  3.348000       5.998000  
1 1 1 9  35 6  o 27.05000 3.781000  4.992000       7.562000  
1 1 1 9  35 8  o 10.95000 3.408000  0.8941000      6.817000  
1 1 1 9  35 10 o 16.89000 4.004000  1.280000       8.008000  
1 1 1 9  35 12 o 16.81000 4.187000  1.881000       8.373000  
1 1 1 9  35 14 o 12.78000 3.400000  3.052000       6.801000  
1 1 1 9  35 16 o 9.320000 4.668000  ?              ?         
1 1 1 9  35 18 o 60.46000 1.641000  -0.1971000     3.281000  
1 1 1 9  35 20 o 11.12000 4.681000  ?              ?         
1 1 1 9  35 22 o 18.75000 3.724000  4.282000       7.448000  
1 1 1 9  35 24 o 13.61000 3.695000  -2.735000      7.391000  
1 1 1 9  35 26 o 11.79000 3.478000  -3.624000      6.955000  
1 1 1 9  35 28 o 15.35000 4.232000  1.910000       8.464000  
1 1 1 9  35 30 o 10.77000 2.823000  -1.905000      5.646000  
1 1 1 9  35 32 o 37.35000 1.409000  -1.080000      2.818000  
1 1 1 9  36 1  f 16.03000 4.149000  -2.761000      8.299000  
1 1 1 9  36 3  o 13.93000 4.163000  -5.290000      8.325000  
1 1 1 9  36 5  o 28.83000 3.727000  -2.528000      7.454000  
1 1 1 9  36 7  f 40.69000 2.296000  -0.2170000     4.592000  
1 1 1 9  36 9  o 34.90000 2.534000  3.123000       5.068000  
1 1 1 9  36 11 o 40.89000 2.414000  4.768000       4.828000  
1 1 1 9  36 13 o 24.35000 4.250000  6.374000       8.499000  
1 1 1 9  36 15 o 56.92000 2.542000  -8.170000      5.085000  
1 1 1 9  36 19 o 7.619000 2.530000  4.450000       5.060000  
1 1 1 9  36 21 o 29.95000 3.145000  0.9240000      6.290000  
1 1 1 9  36 23 o 13.31000 3.596000  -5.040000      7.192000  
1 1 1 9  36 25 o 16.33000 3.572000  1.835000       7.145000  
1 1 1 9  36 27 o 32.60000 2.494000  1.514000       4.988000  
1 1 1 9  36 29 o 19.48000 3.610000  0.7221000      7.220000  
1 1 1 9  36 31 o 35.77000 1.747000  -2.857000      3.494000  
1 1 1 9  37 0  o 24.19000 5.150000  0.000000       0.000000  
1 1 1 9  37 2  o 44.16000 2.975000  2.159000       5.951000  
1 1 1 9  37 4  o 17.80000 4.827000  1.477000       9.654000  
1 1 1 9  37 6  o 12.72000 3.489000  0.5878000      6.978000  
1 1 1 9  37 8  o 6.307000 3.165000  ?              ?         
1 1 1 9  37 12 f 79.36000 1.905000  -5.953000      3.810000  
1 1 1 9  37 16 o 7.830000 2.498000  5.449000       4.995000  
1 1 1 9  37 18 o 15.14000 3.780000  4.457000       7.559000  
1 1 1 9  37 20 o 29.90000 3.311000  3.578000       6.621000  
1 1 1 9  37 22 f 29.40000 3.791000  9.876000       7.582000  
1 1 1 9  37 24 o 16.99000 3.398000  3.125000       6.797000  
1 1 1 9  37 26 o 22.03000 3.302000  9.872000       6.605000  
1 1 1 9  37 28 f 10.92000 3.311000  0.9127000      6.622000  
1 1 1 9  37 30 o 11.60000 3.396000  ?              ?         
1 1 1 9  38 1  o 9.933000 3.342000  -2.300000      6.683000  
1 1 1 9  38 7  o 51.60000 3.372000  8.846000       6.744000  
1 1 1 9  38 9  o 41.02000 2.192000  1.226000       4.385000  
1 1 1 9  38 11 o 6.022000 2.999000  ?              ?         
1 1 1 9  38 13 o 9.480000 2.642000  8.995000       5.284000  
1 1 1 9  38 15 o 52.43000 2.252000  8.646000       4.504000  
1 1 1 9  38 17 o 40.52000 2.540000  6.087000       5.079000  
1 1 1 9  38 19 o 16.90000 4.036000  0.8166000      8.071000  
1 1 1 9  38 21 o 10.42000 3.361000  -1.192000      6.721000  
1 1 1 9  38 23 o 16.71000 3.666000  -0.6430000     7.331000  
1 1 1 9  38 25 o 10.08000 2.704000  4.072000       5.408000  
1 1 1 9  38 27 o 7.509000 3.598000  ?              ?         
1 1 1 9  38 29 o 9.407000 2.961000  3.872000       5.922000  
1 1 1 9  39 0  o 23.20000 4.410000  0.000000       0.000000  
1 1 1 9  39 2  o 24.88000 3.221000  11.82000       6.442000  
1 1 1 9  39 4  o 28.68000 2.891000  2.812000       5.782000  
1 1 1 9  39 8  o 7.215000 2.448000  2.011000       4.897000  
1 1 1 9  39 10 o 10.80000 2.816000  5.278000       5.631000  
1 1 1 9  39 12 o 14.63000 4.436000  0.9335000      8.872000  
1 1 1 9  39 14 f 25.96000 4.636000  0.4056000      9.273000  
1 1 1 9  39 16 o 24.57000 4.306000  5.933000       8.613000  
1 1 1 9  39 18 f 24.98000 4.442000  -2.487000      8.884000  
1 1 1 9  39 20 o 25.74000 3.047000  2.546000       6.094000  
1 1 1 9  39 22 o 29.75000 2.540000  9.619000       5.081000  
1 1 1 9  39 24 o 7.645000 2.489000  1.950000       4.978000  
1 1 1 9  39 26 o 25.45000 2.029000  2.469000       4.059000  
1 1 1 9  40 1  o 7.069000 2.343000  -0.6652000E-01 4.686000  
1 1 1 9  40 3  o 8.549000 2.779000  -1.374000      5.558000  
1 1 1 9  40 5  o 17.76000 4.697000  1.436000       9.394000  
1 1 1 9  40 7  o 28.27000 4.127000  0.7544000      8.254000  
1 1 1 9  40 9  o 30.70000 3.749000  1.047000       7.498000  
1 1 1 9  40 11 o 14.08000 4.246000  -4.211000      8.493000  
1 1 1 9  40 13 o 20.52000 3.745000  11.35000       7.489000  
1 1 1 9  40 15 o 20.68000 4.613000  1.341000       9.227000  
1 1 1 9  40 17 o 16.15000 4.381000  -2.533000      8.762000  
1 1 1 9  40 19 o 19.20000 4.096000  0.6062000      8.192000  
1 1 1 9  40 21 o 12.37000 2.906000  6.901000       5.811000  
1 1 1 9  40 23 o 9.283000 3.036000  4.760000       6.073000  
1 1 1 9  40 25 o 28.74000 1.894000  ?              ?         
1 1 1 9  41 0  o 41.52000 4.323000  0.000000       0.000000  
1 1 1 9  41 2  o 24.36000 4.888000  -0.2343000     9.776000  
1 1 1 9  41 4  o 23.89000 4.669000  0.2133000      9.339000  
1 1 1 9  41 6  o 14.80000 4.546000  -0.9780000     9.091000  
1 1 1 9  41 8  o 15.89000 4.271000  -4.723000      8.542000  
1 1 1 9  41 10 o 12.06000 3.714000  -6.368000      7.427000  
1 1 1 9  41 12 o 30.02000 3.644000  -0.5981000     7.287000  
1 1 1 9  41 14 o 30.90000 3.205000  -4.091000      6.410000  
1 1 1 9  41 16 o 12.92000 3.858000  -2.389000      7.717000  
1 1 1 9  41 18 o 13.04000 3.593000  1.126000       7.186000  
1 1 1 9  41 20 o 9.860000 2.762000  4.452000       5.524000  
1 1 1 9  41 22 o 14.09000 2.772000  -3.076000      5.545000  
1 1 1 9  41 24 o 10.05000 3.546000  ?              ?         
1 1 1 9  42 1  o 26.85000 4.133000  6.411000       8.267000  
1 1 1 9  42 3  o 22.83000 4.450000  -8.410000      8.900000  
1 1 1 9  42 5  o 14.06000 4.295000  -3.279000      8.590000  
1 1 1 9  42 7  o 64.22000 2.561000  ?              ?         
1 1 1 9  42 9  o 41.12000 2.470000  3.375000       4.940000  
1 1 1 9  42 11 o 22.55000 4.303000  3.692000       8.606000  
1 1 1 9  42 13 f 16.28000 4.122000  -1.606000      8.243000  
1 1 1 9  42 15 o 35.37000 2.719000  0.6781000      5.437000  
1 1 1 9  42 17 o 7.532000 2.505000  2.399000       5.010000  
1 1 1 9  42 19 o 7.227000 3.523000  ?              ?         
1 1 1 9  43 0  o 14.16000 5.899000  0.000000       0.000000  
1 1 1 9  43 2  o 13.37000 4.033000  -0.7965000     8.066000  
1 1 1 9  43 4  o 18.45000 4.387000  2.248000       8.774000  
1 1 1 9  43 6  o 20.96000 4.691000  -1.625000      9.382000  
1 1 1 9  43 8  o 13.24000 3.891000  3.386000       7.783000  
1 1 1 9  43 10 o 15.90000 4.121000  4.498000       8.242000  
1 1 1 9  43 12 o 9.877000 2.850000  2.586000       5.699000  
1 1 1 9  43 14 o 13.70000 2.885000  8.677000       5.770000  
1 1 1 9  43 16 o 6.400000 2.246000  1.826000       4.492000  
1 1 1 9  43 18 o 35.46000 1.511000  -0.6668000E-01 3.022000  
1 1 1 9  43 20 o 20.69000 4.809000  ?              ?         
1 1 1 9  44 1  f 14.65000 4.353000  -0.5207000     8.705000  
1 1 1 9  44 3  o 13.05000 3.983000  -1.127000      7.965000  
1 1 1 9  44 5  o 13.56000 4.032000  0.2756000E-02  8.065000  
1 1 1 9  44 7  o 7.994000 2.588000  0.8339000      5.176000  
1 1 1 9  44 9  o 8.159000 2.649000  0.5667000      5.298000  
1 1 1 9  44 11 f 9.869000 2.989000  3.159000       5.978000  
1 1 1 9  44 13 o 8.047000 3.895000  ?              ?         
1 1 1 9  44 15 o 40.24000 2.075000  -2.303000      4.150000  
1 1 1 9  44 17 o 12.89000 4.928000  ?              ?         
1 1 1 9  45 0  o 7.677000 3.635000  0.000000       0.000000  
1 1 1 9  45 2  o 6.529000 2.254000  -0.7960000     4.507000  
1 1 1 9  45 4  o 7.515000 2.502000  -1.122000      5.005000  
1 1 1 9  45 6  o 7.585000 2.546000  2.452000       5.093000  
1 1 1 9  45 8  o 8.961000 2.889000  4.685000       5.779000  
1 1 1 9  45 10 o 31.11000 1.558000  -2.799000      3.117000  
1 1 1 9  45 12 o 12.73000 3.253000  -1.596000      6.505000  
1 1 1 9  45 14 o 18.21000 4.676000  ?              ?         
1 1 1 9  46 1  o 39.05000 1.350000  3.207000       2.700000  
1 1 1 9  46 3  o 41.88000 1.255000  1.528000       2.511000  
1 1 1 9  46 5  o 24.46000 2.858000  4.331000       5.715000  
1 1 1 9  46 7  o 9.105000 2.741000  1.025000       5.483000  
1 1 1 9  46 9  f 9.064000 4.155000  ?              ?         
1 1 1 10 0  0  o 37.44000 1.512000  0.000000       0.000000  
1 1 1 10 0  2  o 59.58000 1.287000  0.000000       0.000000  
1 1 1 10 0  4  o 42.50000 0.9706000 0.000000       0.000000  
1 1 1 10 0  6  o 23.91000 0.7456000 0.000000       0.000000  
1 1 1 10 0  8  o 4.148000 1.595000  0.000000       0.000000  
1 1 1 10 0  10 o 69.24000 1.284000  0.000000       0.000000  
1 1 1 10 0  12 o 48.64000 0.9487000 0.000000       0.000000  
1 1 1 10 0  14 o 98.11000 2.547000  0.000000       0.000000  
1 1 1 10 0  16 o 32.67000 0.9014000 0.000000       0.000000  
1 1 1 10 0  18 o 22.37000 1.392000  0.000000       0.000000  
1 1 1 10 0  20 o 40.76000 1.062000  0.000000       0.000000  
1 1 1 10 0  22 o 63.94000 1.522000  0.000000       0.000000  
1 1 1 10 0  24 o 24.32000 1.396000  0.000000       0.000000  
1 1 1 10 0  26 o 40.92000 1.481000  0.000000       0.000000  
1 1 1 10 0  28 o 50.29000 1.461000  0.000000       0.000000  
1 1 1 10 0  30 o 75.17000 1.794000  0.000000       0.000000  
1 1 1 10 0  32 o 55.61000 1.270000  0.000000       0.000000  
1 1 1 10 0  34 o 41.31000 1.811000  0.000000       0.000000  
1 1 1 10 0  36 o 7.463000 3.179000  0.000000       0.000000  
1 1 1 10 0  38 o 13.39000 5.864000  0.000000       0.000000  
1 1 1 10 0  40 o 4.879000 2.404000  0.000000       0.000000  
1 1 1 10 0  42 o 7.273000 3.510000  0.000000       0.000000  
1 1 1 10 0  44 o 7.287000 3.197000  0.000000       0.000000  
1 1 1 10 0  46 o 52.83000 1.668000  0.000000       0.000000  
1 1 1 10 0  48 o 32.54000 1.793000  0.000000       0.000000  
1 1 1 10 1  1  f 84.54000 1.410000  0.9672000      2.819000  
1 1 1 10 1  3  o 43.70000 0.7927000 1.433000       1.585000  
1 1 1 10 1  5  o 98.36000 1.460000  -0.5575000     2.919000  
1 1 1 10 1  7  o 46.87000 0.6687000 1.056000       1.337000  
1 1 1 10 1  9  o 90.11000 1.198000  1.919000       2.397000  
1 1 1 10 1  11 o 33.86000 0.5234000 -0.5333000     1.047000  
1 1 1 10 1  13 o 25.69000 0.6800000 -0.7034000     1.360000  
1 1 1 10 1  15 o 58.58000 0.8673000 0.4342000      1.735000  
1 1 1 10 1  17 o 104.7000 1.402000  -0.2818000     2.804000  
1 1 1 10 1  19 o 53.45000 0.8319000 0.4697000E-01  1.664000  
1 1 1 10 1  21 o 70.84000 1.110000  -0.6826000     2.220000  
1 1 1 10 1  23 o 83.97000 1.600000  -3.355000      3.201000  
1 1 1 10 1  25 o 69.45000 1.005000  2.606000       2.010000  
1 1 1 10 1  27 o 103.6000 1.374000  -0.7933000     2.748000  
1 1 1 10 1  29 o 34.02000 1.038000  -1.318000      2.075000  
1 1 1 10 1  31 o 50.90000 0.9564000 -1.197000      1.913000  
1 1 1 10 1  33 o 64.23000 1.127000  -1.270000      2.255000  
1 1 1 10 1  35 o 18.45000 1.569000  4.225000       3.138000  
1 1 1 10 1  37 o 31.19000 1.205000  2.912000       2.409000  
1 1 1 10 1  39 o 18.91000 1.703000  2.437000       3.406000  
1 1 1 10 1  41 o 10.67000 2.898000  0.1683000      5.797000  
1 1 1 10 1  43 o 29.37000 1.535000  -0.3527000     3.070000  
1 1 1 10 1  45 o 29.63000 1.323000  -4.091000      2.646000  
1 1 1 10 1  47 o 7.776000 2.291000  2.928000       4.583000  
1 1 1 10 1  49 o 26.91000 1.443000  0.9697000      2.886000  
1 1 1 10 2  0  o 46.40000 1.030000  0.000000       0.000000  
1 1 1 10 2  2  o 27.46000 0.6227000 1.815000       1.245000  
1 1 1 10 2  4  o 30.42000 0.6504000 2.079000       1.301000  
1 1 1 10 2  6  o 53.02000 0.9244000 -1.214000      1.849000  
1 1 1 10 2  8  o 15.87000 0.5376000 0.2611000      1.075000  
1 1 1 10 2  10 o 58.47000 0.8047000 0.2606000      1.609000  
1 1 1 10 2  12 o 89.51000 1.197000  0.3728000      2.394000  
1 1 1 10 2  14 o 136.7000 1.813000  2.802000       3.627000  
1 1 1 10 2  16 o 82.36000 1.120000  -1.770000      2.240000  
1 1 1 10 2  18 o 33.88000 0.6537000 -1.328000      1.307000  
1 1 1 10 2  20 o 122.6000 1.645000  -3.661000      3.290000  
1 1 1 10 2  22 f 98.09000 1.480000  7.199000       2.961000  
1 1 1 10 2  24 o 16.58000 2.059000  -0.6613000     4.117000  
1 1 1 10 2  26 f 54.31000 0.9743000 1.526000       1.949000  
1 1 1 10 2  28 o 82.95000 1.266000  -2.803000      2.531000  
1 1 1 10 2  30 o 28.97000 0.8997000 1.383000       1.799000  
1 1 1 10 2  32 o 34.44000 0.8678000 -1.402000      1.736000  
1 1 1 10 2  34 o 39.34000 0.8946000 -0.5245000     1.789000  
1 1 1 10 2  36 o 32.91000 1.333000  -1.106000      2.665000  
1 1 1 10 2  38 f 31.97000 0.9425000 0.8856000      1.885000  
1 1 1 10 2  40 o 30.36000 1.441000  -4.083000      2.882000  
1 1 1 10 2  42 o 13.34000 2.938000  3.637000       5.876000  
1 1 1 10 2  44 o 23.43000 1.560000  2.006000       3.121000  
1 1 1 10 2  46 o 42.90000 1.233000  3.770000       2.466000  
1 1 1 10 2  48 o 22.89000 1.564000  -1.037000      3.129000  
1 1 1 10 3  1  o 68.40000 1.154000  0.3158000      2.309000  
1 1 1 10 3  3  o 70.08000 1.188000  1.558000       2.376000  
1 1 1 10 3  5  o 30.89000 0.6510000 1.253000       1.302000  
1 1 1 10 3  7  o 40.83000 0.6341000 1.268000       1.268000  
1 1 1 10 3  9  o 22.14000 0.5216000 -2.103000      1.043000  
1 1 1 10 3  11 o 85.55000 1.196000  1.375000       2.392000  
1 1 1 10 3  13 o 127.1000 1.760000  -0.8145000     3.520000  
1 1 1 10 3  15 o 202.4000 3.171000  3.243000       6.342000  
1 1 1 10 3  17 o 136.8000 1.898000  -6.762000      3.795000  
1 1 1 10 3  19 o 79.19000 1.153000  0.8527000      2.306000  
1 1 1 10 3  21 f 53.49000 1.079000  4.935000       2.158000  
1 1 1 10 3  23 o 45.99000 1.056000  3.976000       2.112000  
1 1 1 10 3  25 o 93.23000 1.877000  -2.530000      3.754000  
1 1 1 10 3  27 o 42.39000 0.8804000 -0.6280000     1.761000  
1 1 1 10 3  29 o 11.30000 1.539000  -5.419000      3.078000  
1 1 1 10 3  31 o 36.67000 0.8333000 3.877000       1.667000  
1 1 1 10 3  33 o 26.59000 0.8837000 -1.305000      1.767000  
1 1 1 10 3  35 o 40.22000 1.000000  -0.7507000E-01 2.000000  
1 1 1 10 3  37 o 40.08000 0.9186000 2.292000       1.837000  
1 1 1 10 3  39 o 44.99000 0.9202000 -3.641000      1.840000  
1 1 1 10 3  41 o 48.20000 1.812000  0.3924000      3.625000  
1 1 1 10 3  43 o 33.22000 1.244000  -0.4089000     2.487000  
1 1 1 10 3  45 o 22.45000 1.591000  3.401000       3.182000  
1 1 1 10 3  47 o 13.83000 1.985000  5.644000       3.970000  
1 1 1 10 3  49 o 34.89000 0.9964000 -1.423000      1.993000  
1 1 1 10 4  0  o 43.73000 1.231000  0.000000       0.000000  
1 1 1 10 4  2  f 74.27000 1.583000  -0.5496000     3.166000  
1 1 1 10 4  4  o 68.90000 1.106000  0.5998000E-01  2.212000  
1 1 1 10 4  6  o 46.29000 0.6981000 0.7192000      1.396000  
1 1 1 10 4  8  o 53.42000 0.7795000 0.5089000      1.559000  
1 1 1 10 4  10 o 32.47000 0.5690000 -1.390000      1.138000  
1 1 1 10 4  12 o 40.02000 0.7948000 -0.7508000     1.590000  
1 1 1 10 4  14 o 124.2000 1.729000  -2.638000      3.457000  
1 1 1 10 4  16 o 66.80000 1.263000  2.935000       2.527000  
1 1 1 10 4  18 o 78.83000 1.140000  -0.1779000     2.280000  
1 1 1 10 4  20 o 55.97000 0.9897000 -0.3851000     1.979000  
1 1 1 10 4  22 o 52.19000 1.125000  2.349000       2.250000  
1 1 1 10 4  24 o 46.70000 0.9862000 2.877000       1.972000  
1 1 1 10 4  26 o 28.80000 0.8792000 0.1436000      1.758000  
1 1 1 10 4  28 o 31.00000 0.9542000 -2.293000      1.908000  
1 1 1 10 4  30 o 52.06000 1.093000  0.1464000      2.186000  
1 1 1 10 4  32 o 11.39000 1.602000  -4.966000      3.203000  
1 1 1 10 4  34 o 28.90000 1.089000  2.443000       2.178000  
1 1 1 10 4  36 o 48.85000 0.9040000 1.817000       1.808000  
1 1 1 10 4  38 o 23.72000 1.089000  -2.066000      2.177000  
1 1 1 10 4  40 o 7.130000 2.099000  1.052000       4.198000  
1 1 1 10 4  42 o 51.41000 1.430000  -2.132000      2.860000  
1 1 1 10 4  44 o 11.57000 2.627000  -3.075000      5.254000  
1 1 1 10 4  46 o 22.62000 1.411000  2.181000       2.822000  
1 1 1 10 4  48 o 33.15000 0.9818000 -1.437000      1.964000  
1 1 1 10 5  1  o 115.4000 2.419000  -0.2807000     4.837000  
1 1 1 10 5  3  o 54.01000 0.9485000 -0.3324000     1.897000  
1 1 1 10 5  5  o 36.07000 0.5980000 1.187000       1.196000  
1 1 1 10 5  7  f 38.77000 0.6195000 -0.1488000     1.239000  
1 1 1 10 5  9  o 62.11000 0.8938000 0.7177000      1.788000  
1 1 1 10 5  11 o 125.4000 1.739000  3.026000       3.477000  
1 1 1 10 5  13 o 132.9000 1.841000  1.216000       3.681000  
1 1 1 10 5  15 o 86.91000 1.226000  3.452000       2.452000  
1 1 1 10 5  17 o 94.27000 1.456000  0.2367000E-01  2.913000  
1 1 1 10 5  19 o 64.74000 1.108000  0.9575000      2.217000  
1 1 1 10 5  21 o 44.16000 1.627000  4.756000       3.254000  
1 1 1 10 5  23 o 119.2000 1.657000  5.033000       3.314000  
1 1 1 10 5  25 o 107.9000 1.716000  3.939000       3.432000  
1 1 1 10 5  27 o 67.25000 1.128000  -2.179000      2.257000  
1 1 1 10 5  29 o 64.05000 1.172000  1.914000       2.344000  
1 1 1 10 5  31 o 32.72000 0.9282000 1.237000       1.856000  
1 1 1 10 5  33 o 10.15000 1.578000  1.246000       3.156000  
1 1 1 10 5  35 o 45.94000 0.9522000 0.8094000E-01  1.904000  
1 1 1 10 5  37 o 55.16000 1.037000  -0.7808000     2.073000  
1 1 1 10 5  39 o 21.78000 1.363000  -1.617000      2.726000  
1 1 1 10 5  41 o 56.97000 2.058000  6.684000       4.116000  
1 1 1 10 5  43 o 33.59000 2.601000  -4.456000      5.201000  
1 1 1 10 5  45 o 24.69000 1.328000  -3.700000      2.656000  
1 1 1 10 5  47 o 21.39000 1.400000  4.764000       2.799000  
1 1 1 10 5  49 o 33.41000 1.594000  2.698000       3.189000  
1 1 1 10 6  0  o 48.25000 1.114000  0.000000       0.000000  
1 1 1 10 6  2  o 32.01000 0.6583000 -0.3455000     1.317000  
1 1 1 10 6  4  o 104.0000 1.449000  0.4504000      2.897000  
1 1 1 10 6  6  o 62.59000 0.9007000 1.118000       1.801000  
1 1 1 10 6  8  o 45.64000 0.7012000 0.8296000      1.402000  
1 1 1 10 6  10 f 48.04000 0.7280000 0.4450000      1.456000  
1 1 1 10 6  12 o 89.52000 1.253000  -1.807000      2.507000  
1 1 1 10 6  14 o 153.7000 2.126000  -1.137000      4.252000  
1 1 1 10 6  16 o 95.64000 1.340000  -1.078000      2.680000  
1 1 1 10 6  18 o 72.09000 1.042000  1.319000       2.083000  
1 1 1 10 6  20 o 141.9000 1.907000  -3.701000      3.814000  
1 1 1 10 6  22 o 19.86000 1.450000  -1.763000      2.901000  
1 1 1 10 6  24 o 25.81000 0.9332000 1.507000       1.866000  
1 1 1 10 6  26 o 36.32000 0.9236000 0.9523000      1.847000  
1 1 1 10 6  28 o 33.68000 0.9113000 2.241000       1.823000  
1 1 1 10 6  30 o 19.13000 1.008000  0.9503000      2.016000  
1 1 1 10 6  32 o 33.23000 0.9019000 0.1689000      1.804000  
1 1 1 10 6  34 o 26.88000 0.9096000 1.829000       1.819000  
1 1 1 10 6  36 o 36.90000 0.9341000 2.928000       1.868000  
1 1 1 10 6  38 o 47.77000 1.323000  1.174000       2.646000  
1 1 1 10 6  40 o 11.13000 2.943000  -1.382000      5.885000  
1 1 1 10 6  42 o 28.77000 3.310000  -9.240000      6.620000  
1 1 1 10 6  44 o 20.48000 3.153000  -0.3577000     6.305000  
1 1 1 10 6  46 o 21.16000 2.122000  -0.2326000     4.244000  
1 1 1 10 6  48 o 10.07000 2.333000  4.602000       4.666000  
1 1 1 10 7  1  o 21.08000 0.5675000 0.7106000      1.135000  
1 1 1 10 7  3  o 55.23000 0.8153000 0.8910000      1.631000  
1 1 1 10 7  5  o 41.12000 0.6706000 0.2564000      1.341000  
1 1 1 10 7  7  o 21.62000 0.5388000 -0.1311000     1.078000  
1 1 1 10 7  9  o 50.11000 0.7074000 -0.2856000     1.415000  
1 1 1 10 7  11 o 95.70000 1.240000  2.255000       2.480000  
1 1 1 10 7  13 o 186.5000 2.383000  3.258000       4.765000  
1 1 1 10 7  15 o 134.9000 1.736000  3.430000       3.473000  
1 1 1 10 7  17 o 90.00000 1.360000  2.701000       2.719000  
1 1 1 10 7  19 o 61.78000 1.134000  -0.7301000     2.268000  
1 1 1 10 7  21 o 83.36000 1.488000  -1.858000      2.976000  
1 1 1 10 7  23 o 126.7000 1.994000  1.371000       3.988000  
1 1 1 10 7  25 o 108.3000 1.722000  4.771000       3.444000  
1 1 1 10 7  27 o 100.1000 1.610000  -1.651000      3.220000  
1 1 1 10 7  29 o 18.87000 1.062000  -2.318000      2.125000  
1 1 1 10 7  31 o 61.46000 1.301000  0.2207000      2.602000  
1 1 1 10 7  33 o 14.26000 1.765000  -2.057000      3.531000  
1 1 1 10 7  35 o 29.31000 1.147000  1.758000       2.294000  
1 1 1 10 7  37 o 37.45000 1.138000  4.402000       2.275000  
1 1 1 10 7  39 o 17.62000 2.369000  3.972000       4.738000  
1 1 1 10 7  41 o 6.904000 2.441000  1.222000       4.882000  
1 1 1 10 7  43 f 16.67000 3.883000  5.941000       7.765000  
1 1 1 10 7  45 o 37.76000 1.383000  -1.777000      2.766000  
1 1 1 10 7  47 o 16.11000 2.433000  3.764000       4.865000  
1 1 1 10 7  49 o 7.998000 3.714000  ?              ?         
1 1 1 10 8  0  o 16.28000 1.372000  0.000000       0.000000  
1 1 1 10 8  2  o 29.76000 0.5640000 0.4222000      1.128000  
1 1 1 10 8  4  o 11.33000 0.9429000 1.926000       1.886000  
1 1 1 10 8  6  o 48.63000 0.7273000 1.469000       1.455000  
1 1 1 10 8  8  o 8.646000 1.136000  -0.3410000     2.273000  
1 1 1 10 8  10 o 103.3000 1.544000  4.927000       3.087000  
1 1 1 10 8  12 o 202.6000 2.583000  3.809000       5.167000  
1 1 1 10 8  14 o 152.4000 1.955000  6.023000       3.910000  
1 1 1 10 8  16 o 69.70000 1.020000  1.120000       2.040000  
1 1 1 10 8  18 o 94.79000 1.534000  9.055000       3.068000  
1 1 1 10 8  20 o 26.35000 0.9802000 2.551000       1.960000  
1 1 1 10 8  22 o 111.6000 1.993000  3.728000       3.986000  
1 1 1 10 8  24 o 104.8000 1.730000  -3.075000      3.461000  
1 1 1 10 8  26 o 33.96000 0.9303000 2.907000       1.861000  
1 1 1 10 8  28 o 36.47000 0.9966000 1.183000       1.993000  
1 1 1 10 8  30 o 30.82000 1.244000  0.9334000E-01  2.487000  
1 1 1 10 8  32 o 41.82000 1.030000  -4.042000      2.060000  
1 1 1 10 8  34 o 30.24000 1.111000  -1.713000      2.223000  
1 1 1 10 8  36 o 13.52000 1.936000  -1.451000      3.873000  
1 1 1 10 8  38 o 7.966000 2.227000  -0.7012000     4.454000  
1 1 1 10 8  40 o 10.14000 2.946000  -0.7679000     5.892000  
1 1 1 10 8  42 o 12.73000 2.551000  2.867000       5.101000  
1 1 1 10 8  44 o 18.81000 3.383000  -3.638000      6.765000  
1 1 1 10 8  46 o 7.805000 2.437000  -3.103000      4.874000  
1 1 1 10 8  48 o 10.93000 3.205000  -7.053000      6.410000  
1 1 1 10 9  1  o 29.64000 0.5923000 -0.2726000     1.185000  
1 1 1 10 9  3  o 46.37000 0.7230000 0.8346000      1.446000  
1 1 1 10 9  5  o 59.16000 0.8724000 -1.405000      1.745000  
1 1 1 10 9  7  o 44.00000 0.6831000 -1.486000      1.366000  
1 1 1 10 9  9  o 73.96000 1.070000  -0.9935000     2.141000  
1 1 1 10 9  11 o 59.04000 0.9148000 -2.299000      1.830000  
1 1 1 10 9  13 o 89.29000 1.269000  6.588000       2.537000  
1 1 1 10 9  15 o 16.93000 0.7164000 -1.148000      1.433000  
1 1 1 10 9  17 o 54.00000 0.8574000 -1.890000      1.715000  
1 1 1 10 9  19 o 88.28000 1.529000  -0.1680000     3.057000  
1 1 1 10 9  21 o 154.3000 2.404000  -3.890000      4.807000  
1 1 1 10 9  23 o 84.21000 1.234000  -4.379000      2.469000  
1 1 1 10 9  25 o 67.01000 1.187000  -0.4760000     2.373000  
1 1 1 10 9  27 o 55.84000 1.286000  -4.987000      2.572000  
1 1 1 10 9  29 o 63.27000 1.318000  -0.6879000     2.637000  
1 1 1 10 9  31 o 60.94000 1.175000  -3.953000      2.350000  
1 1 1 10 9  33 o 16.60000 1.695000  2.377000       3.390000  
1 1 1 10 9  35 o 40.62000 1.076000  -1.242000      2.151000  
1 1 1 10 9  37 o 9.851000 2.251000  0.3011000      4.501000  
1 1 1 10 9  39 o 41.59000 1.678000  -2.640000      3.356000  
1 1 1 10 9  41 o 21.60000 5.301000  ?              ?         
1 1 1 10 9  43 o 57.76000 1.915000  2.154000       3.830000  
1 1 1 10 9  45 o 40.78000 2.040000  3.847000       4.079000  
1 1 1 10 9  47 o 12.33000 2.676000  1.396000       5.352000  
1 1 1 10 10 0  o 79.37000 1.476000  0.000000       0.000000  
1 1 1 10 10 2  o 51.40000 0.7847000 -0.5200000     1.569000  
1 1 1 10 10 4  o 32.12000 0.6574000 -0.9886000     1.315000  
1 1 1 10 10 6  o 60.64000 1.022000  3.261000       2.043000  
1 1 1 10 10 8  o 93.20000 1.264000  1.435000       2.527000  
1 1 1 10 10 10 o 38.92000 0.7267000 1.402000       1.453000  
1 1 1 10 10 12 o 158.9000 2.044000  4.175000       4.088000  
1 1 1 10 10 14 o 89.38000 1.187000  -2.980000      2.373000  
1 1 1 10 10 16 o 62.10000 1.098000  -0.6910000     2.195000  
1 1 1 10 10 18 o 107.2000 1.651000  4.258000       3.303000  
1 1 1 10 10 20 o 47.58000 0.9689000 -0.7691000     1.938000  
1 1 1 10 10 22 o 49.59000 1.099000  2.189000       2.198000  
1 1 1 10 10 24 o 33.76000 0.8932000 -1.361000      1.786000  
1 1 1 10 10 26 f 68.18000 1.359000  0.8009000      2.719000  
1 1 1 10 10 28 f 44.13000 1.175000  -1.127000      2.350000  
1 1 1 10 10 30 o 40.59000 1.011000  0.1532000E-01  2.021000  
1 1 1 10 10 32 o 43.40000 1.063000  -0.6390000     2.127000  
1 1 1 10 10 34 o 41.87000 1.104000  2.549000       2.209000  
1 1 1 10 10 36 o 35.13000 1.110000  -0.3749000     2.220000  
1 1 1 10 10 38 o 45.73000 1.161000  -1.058000      2.323000  
1 1 1 10 10 40 o 29.82000 2.550000  -11.05000      5.100000  
1 1 1 10 10 42 o 28.53000 1.909000  -4.539000      3.819000  
1 1 1 10 10 44 o 42.27000 1.923000  -6.238000      3.847000  
1 1 1 10 10 46 o 20.92000 3.154000  3.004000       6.308000  
1 1 1 10 10 48 o 39.68000 1.627000  4.263000       3.254000  
1 1 1 10 11 1  o 81.87000 1.081000  -0.7048000     2.162000  
1 1 1 10 11 3  o 84.98000 1.207000  0.4495000      2.414000  
1 1 1 10 11 5  o 34.85000 0.7046000 -3.396000      1.409000  
1 1 1 10 11 7  o 36.18000 0.7303000 -1.832000      1.461000  
1 1 1 10 11 9  o 103.1000 1.601000  -3.632000      3.202000  
1 1 1 10 11 11 o 94.73000 1.312000  6.838000       2.623000  
1 1 1 10 11 13 o 66.37000 1.103000  -0.2300000     2.206000  
1 1 1 10 11 15 o 145.8000 1.886000  0.8329000      3.773000  
1 1 1 10 11 17 o 81.96000 1.246000  1.616000       2.492000  
1 1 1 10 11 19 o 17.79000 1.465000  2.381000       2.930000  
1 1 1 10 11 21 f 130.5000 1.727000  4.675000       3.455000  
1 1 1 10 11 23 o 34.04000 0.9132000 -0.5565000     1.826000  
1 1 1 10 11 25 o 50.48000 1.309000  0.5446000      2.619000  
1 1 1 10 11 27 o 98.20000 1.557000  4.111000       3.113000  
1 1 1 10 11 29 f 36.56000 1.025000  2.235000       2.049000  
1 1 1 10 11 31 o 36.21000 1.030000  3.435000       2.059000  
1 1 1 10 11 33 o 45.18000 1.115000  1.528000       2.229000  
1 1 1 10 11 35 o 18.65000 1.434000  -0.4781000     2.869000  
1 1 1 10 11 37 o 17.23000 1.772000  4.312000       3.544000  
1 1 1 10 11 39 o 8.229000 2.551000  0.9614000      5.103000  
1 1 1 10 11 41 o 29.79000 2.441000  3.639000       4.881000  
1 1 1 10 11 43 o 59.85000 1.606000  -3.973000      3.212000  
1 1 1 10 11 45 o 38.92000 2.772000  -6.077000      5.544000  
1 1 1 10 11 47 o 19.03000 3.753000  -7.988000      7.505000  
1 1 1 10 12 0  o 63.88000 1.247000  0.000000       0.000000  
1 1 1 10 12 2  o 87.29000 1.148000  0.1797000E-01  2.296000  
1 1 1 10 12 4  o 22.94000 0.7522000 -0.5080000     1.504000  
1 1 1 10 12 6  o 106.5000 1.498000  -2.717000      2.996000  
1 1 1 10 12 8  o 139.0000 2.214000  5.670000       4.428000  
1 1 1 10 12 10 f 166.0000 2.202000  0.6567000      4.404000  
1 1 1 10 12 12 o 51.56000 0.8458000 -0.6695000     1.692000  
1 1 1 10 12 14 o 45.60000 0.8407000 0.4892000      1.681000  
1 1 1 10 12 16 o 54.75000 1.092000  -1.362000      2.185000  
1 1 1 10 12 18 o 29.32000 1.479000  -2.755000      2.958000  
1 1 1 10 12 20 o 22.69000 0.9733000 -1.435000      1.947000  
1 1 1 10 12 22 o 86.99000 1.293000  3.104000       2.585000  
1 1 1 10 12 24 o 104.5000 1.513000  -0.5651000     3.026000  
1 1 1 10 12 26 o 119.6000 1.840000  5.520000       3.681000  
1 1 1 10 12 28 o 47.97000 1.161000  2.823000       2.322000  
1 1 1 10 12 30 o 11.69000 1.767000  0.7056000      3.534000  
1 1 1 10 12 32 o 48.43000 1.076000  -1.700000      2.151000  
1 1 1 10 12 34 o 60.63000 1.187000  -1.358000      2.375000  
1 1 1 10 12 36 o 23.86000 1.270000  -1.622000      2.540000  
1 1 1 10 12 38 o 44.01000 1.287000  0.4966000      2.573000  
1 1 1 10 12 40 o 42.55000 1.967000  -6.819000      3.933000  
1 1 1 10 12 42 o 12.06000 2.836000  -2.136000      5.672000  
1 1 1 10 12 44 o 54.60000 1.424000  3.343000       2.848000  
1 1 1 10 12 46 o 26.43000 3.986000  -6.442000      7.971000  
1 1 1 10 12 48 o 9.854000 3.296000  6.005000       6.592000  
1 1 1 10 13 1  o 22.46000 0.8604000 -0.6133000E-01 1.721000  
1 1 1 10 13 3  o 48.82000 0.7534000 1.030000       1.507000  
1 1 1 10 13 5  o 69.42000 1.035000  -0.8917000     2.070000  
1 1 1 10 13 7  o 45.54000 0.8112000 -1.584000      1.622000  
1 1 1 10 13 9  o 107.8000 1.525000  0.7860000      3.051000  
1 1 1 10 13 11 o 122.0000 1.646000  1.597000       3.293000  
1 1 1 10 13 13 o 78.57000 1.192000  2.962000       2.385000  
1 1 1 10 13 15 o 60.11000 1.163000  -0.1683000E-01 2.326000  
1 1 1 10 13 17 o 63.40000 1.445000  -1.157000      2.891000  
1 1 1 10 13 19 o 48.80000 1.102000  2.866000       2.204000  
1 1 1 10 13 21 o 107.3000 1.715000  -2.771000      3.430000  
1 1 1 10 13 23 o 126.0000 1.790000  1.543000       3.580000  
1 1 1 10 13 25 f 66.57000 1.207000  -1.742000      2.414000  
1 1 1 10 13 27 o 69.56000 1.233000  1.651000       2.467000  
1 1 1 10 13 29 o 79.11000 1.647000  -6.698000      3.294000  
1 1 1 10 13 31 o 37.51000 1.015000  -2.269000      2.031000  
1 1 1 10 13 33 o 39.61000 1.131000  3.987000       2.263000  
1 1 1 10 13 35 o 45.24000 1.119000  2.759000       2.239000  
1 1 1 10 13 37 o 19.94000 1.775000  2.321000       3.550000  
1 1 1 10 13 39 f 52.28000 1.609000  -5.688000      3.217000  
1 1 1 10 13 41 o 16.95000 2.689000  -4.755000      5.378000  
1 1 1 10 13 43 o 8.731000 2.679000  -4.907000      5.358000  
1 1 1 10 13 45 o 13.86000 4.245000  5.932000       8.490000  
1 1 1 10 13 47 o 40.50000 2.172000  -4.393000      4.343000  
1 1 1 10 14 0  o 158.6000 2.893000  0.000000       0.000000  
1 1 1 10 14 2  o 44.84000 0.9164000 0.9208000      1.833000  
1 1 1 10 14 4  o 165.2000 2.123000  1.629000       4.246000  
1 1 1 10 14 6  o 101.9000 1.447000  2.129000       2.894000  
1 1 1 10 14 8  o 89.81000 1.301000  -0.6229000     2.602000  
1 1 1 10 14 10 o 107.5000 1.530000  -0.6847000     3.060000  
1 1 1 10 14 12 o 76.89000 1.367000  3.276000       2.734000  
1 1 1 10 14 14 o 115.8000 1.674000  -3.370000      3.348000  
1 1 1 10 14 16 f 87.18000 1.425000  3.919000       2.850000  
1 1 1 10 14 18 o 56.60000 1.333000  -0.9482000     2.666000  
1 1 1 10 14 20 o 72.83000 1.262000  0.2505000      2.524000  
1 1 1 10 14 22 o 67.65000 1.414000  5.121000       2.827000  
1 1 1 10 14 24 o 43.32000 1.386000  5.474000       2.773000  
1 1 1 10 14 26 o 79.81000 1.634000  6.077000       3.267000  
1 1 1 10 14 28 o 50.24000 1.090000  1.814000       2.180000  
1 1 1 10 14 30 o 21.21000 1.167000  0.8892000      2.335000  
1 1 1 10 14 32 o 5.997000 1.845000  -1.325000      3.690000  
1 1 1 10 14 34 o 13.75000 1.864000  -1.271000      3.729000  
1 1 1 10 14 36 o 33.62000 1.110000  1.777000       2.219000  
1 1 1 10 14 38 f 22.92000 3.480000  -12.64000      6.961000  
1 1 1 10 14 40 o 43.97000 1.755000  -6.719000      3.510000  
1 1 1 10 14 42 o 19.10000 2.281000  -6.493000      4.563000  
1 1 1 10 14 44 o 13.39000 2.382000  -3.720000      4.764000  
1 1 1 10 14 46 o 14.29000 4.613000  -0.3031000     9.225000  
1 1 1 10 15 1  o 53.91000 0.9954000 -0.9646000     1.991000  
1 1 1 10 15 3  f 39.75000 0.7488000 -1.992000      1.498000  
1 1 1 10 15 5  o 128.5000 1.669000  2.161000       3.339000  
1 1 1 10 15 7  o 146.6000 2.184000  5.064000       4.368000  
1 1 1 10 15 9  o 104.2000 1.501000  6.310000       3.002000  
1 1 1 10 15 11 f 58.70000 1.244000  2.557000       2.488000  
1 1 1 10 15 13 o 83.58000 1.296000  -0.8745000E-01 2.592000  
1 1 1 10 15 15 o 24.39000 1.440000  2.838000       2.880000  
1 1 1 10 15 17 o 98.01000 1.708000  0.4901000      3.417000  
1 1 1 10 15 19 o 44.38000 0.9740000 1.483000       1.948000  
1 1 1 10 15 21 o 26.54000 0.8528000 -0.2525000     1.706000  
1 1 1 10 15 23 o 35.53000 0.8936000 -2.998000      1.787000  
1 1 1 10 15 25 o 15.56000 0.9216000 -3.461000      1.843000  
1 1 1 10 15 27 o 10.43000 3.003000  6.868000       6.006000  
1 1 1 10 15 29 o 16.68000 2.817000  -1.826000      5.634000  
1 1 1 10 15 31 o 38.81000 2.131000  0.2827000      4.261000  
1 1 1 10 15 33 o 49.93000 1.930000  0.8704000      3.860000  
1 1 1 10 15 35 o 16.76000 1.564000  1.415000       3.129000  
1 1 1 10 15 37 o 48.73000 1.273000  -2.314000      2.545000  
1 1 1 10 15 39 o 23.06000 2.404000  2.793000       4.808000  
1 1 1 10 15 41 f 49.14000 1.633000  2.937000       3.266000  
1 1 1 10 15 43 o 18.21000 2.783000  -0.8882000     5.565000  
1 1 1 10 15 45 o 25.70000 1.961000  -3.743000      3.922000  
1 1 1 10 15 47 o 13.41000 3.353000  4.187000       6.706000  
1 1 1 10 16 0  o 106.8000 2.001000  0.000000       0.000000  
1 1 1 10 16 2  o 146.5000 1.889000  0.3652000      3.778000  
1 1 1 10 16 4  o 74.46000 1.040000  3.326000       2.080000  
1 1 1 10 16 6  f 91.95000 1.342000  -5.540000      2.685000  
1 1 1 10 16 8  o 101.2000 1.355000  4.661000       2.710000  
1 1 1 10 16 10 o 6.828000 2.050000  1.903000       4.101000  
1 1 1 10 16 12 o 70.43000 1.325000  -5.170000      2.650000  
1 1 1 10 16 14 o 124.0000 1.758000  -1.840000      3.517000  
1 1 1 10 16 16 o 65.92000 1.566000  1.254000       3.133000  
1 1 1 10 16 18 o 70.32000 1.368000  -0.3162000     2.736000  
1 1 1 10 16 20 o 91.27000 1.324000  -0.6136000     2.648000  
1 1 1 10 16 22 o 60.01000 1.217000  4.800000       2.434000  
1 1 1 10 16 24 o 23.94000 0.9854000 -1.395000      1.971000  
1 1 1 10 16 26 o 27.43000 0.7734000 -1.570000      1.547000  
1 1 1 10 16 28 o 47.08000 1.830000  0.2474000      3.660000  
1 1 1 10 16 30 o 41.25000 1.287000  ?              ?         
1 1 1 10 16 32 o 52.15000 1.604000  1.562000       3.207000  
1 1 1 10 16 34 o 27.04000 2.584000  7.738000       5.168000  
1 1 1 10 16 36 o 49.78000 2.219000  -4.752000      4.437000  
1 1 1 10 16 38 o 33.78000 4.387000  -13.76000      8.774000  
1 1 1 10 16 40 o 84.93000 2.928000  10.76000       5.855000  
1 1 1 10 16 42 o 33.63000 2.466000  -4.836000      4.932000  
1 1 1 10 16 44 o 17.79000 4.257000  3.852000       8.514000  
1 1 1 10 16 46 o 31.79000 2.576000  11.78000       5.152000  
1 1 1 10 17 1  o 109.1000 1.444000  3.509000       2.888000  
1 1 1 10 17 3  o 73.06000 1.043000  -0.8925000E-01 2.086000  
1 1 1 10 17 5  f 85.15000 1.188000  5.342000       2.377000  
1 1 1 10 17 7  o 88.08000 1.225000  2.634000       2.450000  
1 1 1 10 17 9  o 109.1000 1.475000  -0.5064000     2.949000  
1 1 1 10 17 11 o 47.39000 1.209000  1.918000       2.418000  
1 1 1 10 17 13 o 69.71000 2.180000  ?              ?         
1 1 1 10 17 15 o 32.14000 1.466000  -4.919000      2.932000  
1 1 1 10 17 17 o 83.31000 1.326000  0.8326000      2.652000  
1 1 1 10 17 19 o 76.17000 1.220000  0.1352000      2.441000  
1 1 1 10 17 21 o 67.16000 1.215000  0.4343000      2.429000  
1 1 1 10 17 23 o 37.41000 0.9839000 -0.2332000     1.968000  
1 1 1 10 17 25 o 25.92000 0.8416000 -1.678000      1.683000  
1 1 1 10 17 27 o 42.54000 0.9273000 -1.655000      1.855000  
1 1 1 10 17 29 o 35.77000 2.102000  -2.182000      4.204000  
1 1 1 10 17 31 o 32.05000 2.158000  4.016000       4.317000  
1 1 1 10 17 33 o 60.30000 1.753000  4.910000       3.506000  
1 1 1 10 17 35 o 11.40000 3.460000  5.478000       6.920000  
1 1 1 10 17 37 o 40.61000 2.274000  ?              ?         
1 1 1 10 17 39 o 60.05000 3.620000  6.556000       7.241000  
1 1 1 10 17 41 o 22.86000 3.061000  -13.77000      6.122000  
1 1 1 10 17 43 o 17.61000 3.340000  -2.881000      6.680000  
1 1 1 10 17 45 o 11.01000 3.758000  5.230000       7.516000  
1 1 1 10 18 0  o 68.76000 1.452000  0.000000       0.000000  
1 1 1 10 18 2  o 67.73000 1.380000  -5.171000      2.760000  
1 1 1 10 18 4  o 115.9000 1.545000  1.788000       3.091000  
1 1 1 10 18 6  o 60.66000 1.270000  -4.158000      2.540000  
1 1 1 10 18 8  o 96.07000 1.466000  3.396000       2.932000  
1 1 1 10 18 10 o 45.11000 1.361000  2.429000       2.723000  
1 1 1 10 18 12 o 70.53000 2.900000  11.24000       5.801000  
1 1 1 10 18 14 o 72.66000 1.581000  -2.926000      3.163000  
1 1 1 10 18 16 o 101.4000 1.772000  -4.472000      3.544000  
1 1 1 10 18 18 o 21.22000 1.286000  -0.5994000     2.571000  
1 1 1 10 18 20 o 33.88000 1.009000  -1.512000      2.018000  
1 1 1 10 18 22 o 94.44000 1.547000  3.245000       3.094000  
1 1 1 10 18 24 o 40.16000 0.9517000 1.217000       1.903000  
1 1 1 10 18 26 o 37.93000 1.012000  -2.070000      2.025000  
1 1 1 10 18 28 o 20.50000 3.281000  -3.506000      6.562000  
1 1 1 10 18 30 o 42.06000 2.124000  3.825000       4.248000  
1 1 1 10 18 32 o 38.25000 2.737000  -6.084000      5.474000  
1 1 1 10 18 34 o 31.28000 3.549000  -5.603000      7.098000  
1 1 1 10 18 36 o 28.06000 4.172000  -14.95000      8.345000  
1 1 1 10 18 38 o 13.93000 3.371000  -0.9093000     6.741000  
1 1 1 10 18 40 o 31.49000 5.057000  -14.13000      10.11000  
1 1 1 10 18 42 o 14.10000 3.893000  5.497000       7.786000  
1 1 1 10 18 44 o 13.33000 3.805000  1.510000       7.610000  
1 1 1 10 19 1  o 40.62000 1.117000  2.249000       2.235000  
1 1 1 10 19 3  o 27.85000 1.529000  0.4039000      3.058000  
1 1 1 10 19 5  o 79.94000 1.422000  -0.2507000E-01 2.844000  
1 1 1 10 19 7  o 93.48000 1.389000  2.870000       2.779000  
1 1 1 10 19 9  o 68.82000 1.629000  -6.977000      3.257000  
1 1 1 10 19 11 o 66.83000 1.356000  5.410000       2.711000  
1 1 1 10 19 13 o 185.6000 3.124000  -2.297000      6.249000  
1 1 1 10 19 15 f 60.30000 1.462000  9.165000       2.924000  
1 1 1 10 19 17 o 69.72000 1.172000  -1.643000      2.344000  
1 1 1 10 19 19 o 29.53000 1.159000  -1.267000      2.318000  
1 1 1 10 19 21 o 94.30000 1.557000  -0.3123000     3.114000  
1 1 1 10 19 23 o 98.88000 1.453000  0.7156000E-02  2.906000  
1 1 1 10 19 25 o 42.77000 1.018000  5.139000       2.035000  
1 1 1 10 19 27 o 58.27000 1.177000  7.967000       2.354000  
1 1 1 10 19 29 o 51.66000 2.317000  -2.215000      4.633000  
1 1 1 10 19 31 o 18.48000 3.902000  2.205000       7.805000  
1 1 1 10 19 33 o 24.18000 3.798000  -4.014000      7.597000  
1 1 1 10 19 35 o 30.14000 1.643000  ?              ?         
1 1 1 10 19 37 o 9.954000 3.459000  8.547000       6.919000  
1 1 1 10 19 39 o 45.87000 3.047000  -1.664000      6.095000  
1 1 1 10 19 41 o 37.95000 2.439000  -7.924000      4.877000  
1 1 1 10 19 43 o 15.14000 3.741000  6.208000       7.481000  
1 1 1 10 19 45 o 15.81000 3.300000  -6.453000      6.601000  
1 1 1 10 20 0  o 16.44000 4.106000  0.000000       0.000000  
1 1 1 10 20 2  o 49.18000 1.673000  0.4303000E-02  3.345000  
1 1 1 10 20 4  o 28.53000 2.194000  1.224000       4.387000  
1 1 1 10 20 6  o 50.83000 1.899000  -10.20000      3.798000  
1 1 1 10 20 8  o 48.20000 1.668000  2.846000       3.336000  
1 1 1 10 20 10 o 134.1000 2.107000  1.025000       4.215000  
1 1 1 10 20 12 o 131.3000 2.269000  5.941000       4.537000  
1 1 1 10 20 14 o 82.83000 1.626000  4.898000       3.253000  
1 1 1 10 20 16 o 46.75000 2.658000  13.67000       5.316000  
1 1 1 10 20 18 o 60.84000 1.194000  2.289000       2.388000  
1 1 1 10 20 20 o 53.26000 1.144000  5.411000       2.289000  
1 1 1 10 20 22 o 32.10000 1.153000  -3.746000      2.306000  
1 1 1 10 20 24 o 55.09000 1.157000  2.980000       2.314000  
1 1 1 10 20 26 o 37.58000 1.007000  0.8292000      2.014000  
1 1 1 10 20 28 o 12.28000 1.647000  -2.602000      3.294000  
1 1 1 10 20 30 o 20.32000 3.595000  -4.480000      7.189000  
1 1 1 10 20 32 o 24.78000 3.726000  -6.218000      7.451000  
1 1 1 10 20 34 o 53.26000 2.918000  -10.57000      5.835000  
1 1 1 10 20 36 o 20.09000 3.780000  -10.55000      7.560000  
1 1 1 10 20 38 o 18.26000 4.486000  5.975000       8.971000  
1 1 1 10 20 40 o 25.92000 2.652000  -7.164000      5.303000  
1 1 1 10 20 42 o 31.21000 3.693000  -8.303000      7.386000  
1 1 1 10 20 44 o 18.40000 2.921000  -1.031000      5.842000  
1 1 1 10 21 1  o 52.05000 2.204000  6.796000       4.408000  
1 1 1 10 21 3  o 66.38000 2.066000  -8.641000      4.133000  
1 1 1 10 21 5  o 69.34000 1.730000  0.4191000      3.460000  
1 1 1 10 21 7  o 21.59000 2.786000  1.965000       5.572000  
1 1 1 10 21 9  o 32.06000 1.527000  0.1044000E-01  3.055000  
1 1 1 10 21 11 o 50.57000 1.332000  1.612000       2.664000  
1 1 1 10 21 13 o 41.54000 1.074000  -2.090000      2.148000  
1 1 1 10 21 15 o 32.26000 1.212000  0.9870000E-01  2.424000  
1 1 1 10 21 17 o 24.17000 3.501000  -6.605000      7.002000  
1 1 1 10 21 19 o 52.70000 1.272000  -4.778000      2.545000  
1 1 1 10 21 21 o 34.18000 1.230000  -1.095000      2.460000  
1 1 1 10 21 23 o 50.69000 1.216000  4.056000       2.431000  
1 1 1 10 21 25 o 37.66000 1.110000  0.5429000      2.220000  
1 1 1 10 21 27 o 61.97000 1.274000  2.129000       2.548000  
1 1 1 10 21 29 o 40.80000 1.033000  -2.282000      2.065000  
1 1 1 10 21 31 o 27.72000 3.608000  2.623000       7.216000  
1 1 1 10 21 33 o 43.40000 2.122000  ?              ?         
1 1 1 10 21 35 o 51.25000 3.168000  -11.54000      6.337000  
1 1 1 10 21 37 o 19.89000 4.635000  7.090000       9.270000  
1 1 1 10 21 39 o 13.54000 2.980000  1.380000       5.961000  
1 1 1 10 21 41 o 15.80000 3.570000  0.8764000      7.139000  
1 1 1 10 21 43 o 9.423000 3.075000  2.298000       6.150000  
1 1 1 10 22 0  o 12.64000 5.198000  0.000000       0.000000  
1 1 1 10 22 2  o 124.8000 2.284000  -0.9803000     4.569000  
1 1 1 10 22 4  o 55.86000 1.768000  -1.059000      3.535000  
1 1 1 10 22 6  o 44.52000 2.023000  ?              ?         
1 1 1 10 22 8  o 9.980000 2.904000  0.9424000E-01  5.808000  
1 1 1 10 22 10 o 40.97000 1.343000  1.352000       2.686000  
1 1 1 10 22 12 o 42.51000 1.127000  -5.548000      2.254000  
1 1 1 10 22 14 o 108.9000 1.536000  -3.858000      3.072000  
1 1 1 10 22 16 o 76.13000 1.243000  -3.084000      2.487000  
1 1 1 10 22 18 o 50.10000 2.144000  2.230000       4.289000  
1 1 1 10 22 20 o 23.37000 3.789000  -0.2916000     7.578000  
1 1 1 10 22 22 o 56.21000 1.292000  -5.509000      2.584000  
1 1 1 10 22 24 o 89.48000 1.439000  1.716000       2.878000  
1 1 1 10 22 26 o 9.755000 2.626000  1.719000       5.253000  
1 1 1 10 22 28 o 72.87000 1.464000  5.964000       2.929000  
1 1 1 10 22 30 o 36.24000 1.165000  -1.954000      2.329000  
1 1 1 10 22 32 f 10.48000 3.409000  3.308000       6.817000  
1 1 1 10 22 34 o 45.51000 2.700000  2.658000       5.400000  
1 1 1 10 22 36 o 11.65000 3.836000  9.293000       7.671000  
1 1 1 10 22 38 o 24.12000 3.186000  -9.566000      6.372000  
1 1 1 10 22 40 f 30.30000 3.401000  -12.59000      6.802000  
1 1 1 10 22 42 o 10.01000 3.220000  3.882000       6.441000  
1 1 1 10 23 1  o 68.82000 1.528000  3.614000       3.056000  
1 1 1 10 23 3  o 109.9000 2.469000  ?              ?         
1 1 1 10 23 5  o 11.38000 3.323000  1.500000       6.646000  
1 1 1 10 23 7  o 98.62000 1.702000  -2.082000      3.404000  
1 1 1 10 23 9  f 93.94000 1.759000  4.784000       3.518000  
1 1 1 10 23 11 o 98.66000 1.571000  -6.267000      3.142000  
1 1 1 10 23 13 o 11.93000 3.271000  2.920000       6.542000  
1 1 1 10 23 15 o 46.45000 1.481000  -6.387000      2.961000  
1 1 1 10 23 17 o 18.41000 2.987000  -1.973000      5.974000  
1 1 1 10 23 19 o 14.14000 3.218000  -0.1174000     6.435000  
1 1 1 10 23 21 o 44.86000 2.536000  -3.072000      5.073000  
1 1 1 10 23 23 o 45.47000 1.906000  -0.4226000E-01 3.813000  
1 1 1 10 23 25 o 33.77000 1.581000  -3.007000      3.163000  
1 1 1 10 23 27 o 22.87000 2.056000  1.701000       4.112000  
1 1 1 10 23 29 o 9.708000 2.602000  -0.4174000     5.205000  
1 1 1 10 23 31 o 58.95000 1.983000  -1.777000      3.966000  
1 1 1 10 23 33 o 75.69000 2.931000  4.221000       5.862000  
1 1 1 10 23 35 o 32.16000 3.874000  -4.768000      7.748000  
1 1 1 10 23 37 o 11.43000 3.200000  2.455000       6.400000  
1 1 1 10 23 39 o 20.97000 3.557000  -1.966000      7.113000  
1 1 1 10 23 41 o 12.97000 3.552000  1.719000       7.105000  
1 1 1 10 23 43 o 6.647000 2.211000  1.090000       4.423000  
1 1 1 10 24 0  o 113.9000 2.577000  0.000000       0.000000  
1 1 1 10 24 2  o 86.11000 1.764000  3.550000       3.527000  
1 1 1 10 24 4  o 75.39000 1.335000  3.988000       2.670000  
1 1 1 10 24 6  o 53.78000 1.532000  -1.020000      3.063000  
1 1 1 10 24 8  o 45.59000 1.414000  -2.904000      2.827000  
1 1 1 10 24 10 o 75.22000 1.246000  -2.791000      2.492000  
1 1 1 10 24 12 f 92.59000 1.691000  -1.517000      3.382000  
1 1 1 10 24 14 o 37.24000 1.788000  -2.646000      3.576000  
1 1 1 10 24 16 o 19.72000 3.031000  -3.218000      6.061000  
1 1 1 10 24 18 o 43.16000 1.570000  -1.536000      3.140000  
1 1 1 10 24 20 o 35.74000 1.748000  -4.752000      3.496000  
1 1 1 10 24 22 o 82.90000 2.402000  10.38000       4.805000  
1 1 1 10 24 24 o 14.41000 3.288000  2.086000       6.576000  
1 1 1 10 24 26 o 34.78000 1.347000  -1.333000      2.694000  
1 1 1 10 24 28 o 26.38000 1.481000  -1.473000      2.963000  
1 1 1 10 24 30 o 16.08000 2.281000  -0.6826000     4.562000  
1 1 1 10 24 32 o 27.08000 1.789000  2.363000       3.578000  
1 1 1 10 24 34 o 11.84000 3.531000  2.946000       7.062000  
1 1 1 10 24 36 o 39.47000 3.128000  -5.998000      6.256000  
1 1 1 10 24 38 o 17.75000 3.520000  -3.278000      7.039000  
1 1 1 10 24 40 o 25.54000 3.320000  -6.162000      6.639000  
1 1 1 10 24 42 o 32.57000 3.165000  -1.028000      6.331000  
1 1 1 10 25 1  o 44.39000 1.267000  -2.048000      2.534000  
1 1 1 10 25 3  o 50.85000 1.382000  -3.065000      2.764000  
1 1 1 10 25 5  o 78.06000 1.273000  -5.272000      2.546000  
1 1 1 10 25 7  o 84.13000 1.448000  0.6123000      2.897000  
1 1 1 10 25 9  o 43.66000 1.474000  -2.765000      2.949000  
1 1 1 10 25 11 o 57.90000 1.593000  1.046000       3.187000  
1 1 1 10 25 13 o 70.30000 1.402000  0.8807000      2.803000  
1 1 1 10 25 15 o 79.53000 1.442000  0.7596000      2.885000  
1 1 1 10 25 17 o 44.56000 1.393000  -4.559000      2.786000  
1 1 1 10 25 19 f 33.22000 1.730000  0.4831000      3.461000  
1 1 1 10 25 21 o 14.51000 2.816000  -2.415000      5.631000  
1 1 1 10 25 23 o 17.80000 4.096000  4.077000       8.193000  
1 1 1 10 25 25 o 14.25000 2.604000  -1.475000      5.208000  
1 1 1 10 25 27 o 35.10000 1.450000  -1.427000      2.900000  
1 1 1 10 25 29 o 27.20000 3.024000  6.357000       6.047000  
1 1 1 10 25 31 o 40.47000 1.831000  6.445000       3.662000  
1 1 1 10 25 33 o 25.82000 1.544000  -6.622000      3.087000  
1 1 1 10 25 35 o 13.12000 4.014000  8.099000       8.028000  
1 1 1 10 25 37 o 30.82000 3.780000  2.498000       7.560000  
1 1 1 10 25 39 o 18.30000 4.453000  2.630000       8.906000  
1 1 1 10 25 41 o 41.55000 2.526000  4.562000       5.052000  
1 1 1 10 26 0  o 72.01000 1.801000  0.000000       0.000000  
1 1 1 10 26 2  o 12.65000 3.441000  -3.701000      6.882000  
1 1 1 10 26 4  o 24.73000 2.203000  4.508000       4.407000  
1 1 1 10 26 6  o 86.61000 1.352000  -0.5393000     2.704000  
1 1 1 10 26 8  o 25.00000 2.056000  -3.693000      4.113000  
1 1 1 10 26 10 o 62.34000 1.550000  0.2804000      3.100000  
1 1 1 10 26 12 o 61.44000 1.261000  -1.776000      2.523000  
1 1 1 10 26 14 o 87.69000 1.370000  1.240000       2.740000  
1 1 1 10 26 16 o 95.54000 1.581000  -0.3778000     3.162000  
1 1 1 10 26 18 o 37.54000 1.574000  -4.760000      3.149000  
1 1 1 10 26 20 o 43.22000 1.725000  -2.653000      3.449000  
1 1 1 10 26 22 o 24.29000 2.267000  -4.663000      4.533000  
1 1 1 10 26 24 o 24.79000 2.395000  -3.743000      4.790000  
1 1 1 10 26 26 o 27.39000 4.482000  -4.773000      8.964000  
1 1 1 10 26 28 o 20.20000 2.424000  -3.925000      4.849000  
1 1 1 10 26 30 o 52.41000 2.552000  -4.203000      5.104000  
1 1 1 10 26 32 o 25.79000 3.285000  -10.53000      6.569000  
1 1 1 10 26 34 o 24.84000 4.844000  3.216000       9.687000  
1 1 1 10 26 36 o 14.63000 4.127000  5.159000       8.254000  
1 1 1 10 26 38 o 15.19000 3.932000  4.085000       7.864000  
1 1 1 10 26 40 o 13.80000 2.615000  -4.557000      5.229000  
1 1 1 10 27 1  o 44.05000 1.555000  1.609000       3.110000  
1 1 1 10 27 3  o 72.63000 1.376000  3.146000       2.751000  
1 1 1 10 27 5  o 22.13000 2.471000  3.025000       4.941000  
1 1 1 10 27 7  o 51.08000 1.335000  1.602000       2.670000  
1 1 1 10 27 9  o 50.78000 1.370000  3.766000       2.740000  
1 1 1 10 27 11 o 40.42000 1.475000  2.001000       2.949000  
1 1 1 10 27 13 o 41.77000 1.340000  0.9004000      2.681000  
1 1 1 10 27 15 o 56.92000 1.267000  -0.3178000     2.534000  
1 1 1 10 27 17 o 31.91000 1.592000  -3.360000      3.185000  
1 1 1 10 27 19 o 27.78000 1.953000  0.4084000      3.905000  
1 1 1 10 27 21 o 60.91000 1.332000  -0.5232000     2.664000  
1 1 1 10 27 23 o 16.66000 2.877000  3.146000       5.754000  
1 1 1 10 27 25 o 48.16000 1.745000  0.2404000      3.491000  
1 1 1 10 27 27 o 11.44000 3.568000  8.199000       7.135000  
1 1 1 10 27 29 o 24.98000 2.679000  6.714000       5.358000  
1 1 1 10 27 31 o 10.87000 2.595000  -1.307000      5.191000  
1 1 1 10 27 33 o 8.724000 2.544000  -0.5911000     5.088000  
1 1 1 10 27 35 o 9.761000 2.268000  -2.223000      4.537000  
1 1 1 10 27 37 o 21.11000 4.526000  6.690000       9.053000  
1 1 1 10 27 39 o 12.36000 3.235000  -2.078000      6.469000  
1 1 1 10 28 0  o 34.64000 2.909000  0.000000       0.000000  
1 1 1 10 28 2  o 56.66000 1.522000  -1.681000      3.043000  
1 1 1 10 28 4  o 82.08000 1.396000  0.8169000      2.791000  
1 1 1 10 28 6  o 25.39000 2.336000  -5.319000      4.672000  
1 1 1 10 28 8  o 60.75000 1.344000  0.2336000      2.688000  
1 1 1 10 28 10 o 63.14000 1.636000  -1.011000      3.271000  
1 1 1 10 28 12 o 9.698000 2.829000  0.8996000      5.657000  
1 1 1 10 28 14 o 38.47000 1.473000  0.3957000      2.946000  
1 1 1 10 28 16 o 26.66000 2.088000  2.991000       4.176000  
1 1 1 10 28 18 o 16.21000 2.870000  -5.599000      5.740000  
1 1 1 10 28 20 o 20.21000 2.609000  3.745000       5.219000  
1 1 1 10 28 22 o 16.23000 3.024000  -0.4372000     6.049000  
1 1 1 10 28 24 o 37.81000 1.755000  -5.423000      3.511000  
1 1 1 10 28 26 o 11.90000 3.432000  2.632000       6.864000  
1 1 1 10 28 28 o 55.95000 4.310000  13.41000       8.621000  
1 1 1 10 28 30 o 12.01000 2.962000  10.56000       5.923000  
1 1 1 10 28 32 f 45.68000 1.606000  -3.652000      3.212000  
1 1 1 10 28 34 o 15.52000 2.266000  -9.386000      4.532000  
1 1 1 10 28 36 o 10.84000 2.320000  -2.177000      4.640000  
1 1 1 10 28 38 o 12.50000 5.873000  ?              ?         
1 1 1 10 29 1  o 19.01000 3.087000  0.6128000      6.174000  
1 1 1 10 29 3  o 96.81000 1.476000  -4.028000      2.952000  
1 1 1 10 29 5  o 39.71000 1.846000  -3.865000      3.693000  
1 1 1 10 29 7  o 56.16000 1.461000  -1.533000      2.922000  
1 1 1 10 29 9  o 64.41000 1.563000  3.411000       3.127000  
1 1 1 10 29 11 o 112.0000 1.752000  -2.149000      3.504000  
1 1 1 10 29 13 o 75.15000 1.338000  -1.100000      2.677000  
1 1 1 10 29 15 f 14.67000 3.256000  -1.989000      6.511000  
1 1 1 10 29 17 o 16.96000 2.951000  -2.819000      5.901000  
1 1 1 10 29 19 o 12.55000 3.017000  0.8150000      6.035000  
1 1 1 10 29 21 o 61.82000 1.367000  0.9760000      2.734000  
1 1 1 10 29 23 o 24.17000 3.785000  7.702000       7.571000  
1 1 1 10 29 25 o 7.316000 2.453000  1.693000       4.907000  
1 1 1 10 29 27 o 57.71000 2.172000  -8.318000      4.344000  
1 1 1 10 29 29 o 12.39000 4.226000  10.95000       8.452000  
1 1 1 10 29 31 o 47.02000 1.901000  6.650000       3.803000  
1 1 1 10 29 33 o 18.86000 2.736000  0.8654000      5.471000  
1 1 1 10 29 35 o 29.45000 1.861000  0.1726000      3.722000  
1 1 1 10 29 37 o 13.87000 2.347000  -6.405000      4.694000  
1 1 1 10 30 0  o 108.5000 2.236000  0.000000       0.000000  
1 1 1 10 30 2  o 82.74000 1.385000  -3.203000      2.770000  
1 1 1 10 30 4  o 37.35000 1.674000  1.225000       3.348000  
1 1 1 10 30 6  o 12.81000 3.472000  4.020000       6.945000  
1 1 1 10 30 8  o 42.58000 1.592000  -4.830000      3.185000  
1 1 1 10 30 10 o 61.37000 1.897000  1.725000       3.794000  
1 1 1 10 30 12 o 42.40000 1.577000  -3.326000      3.155000  
1 1 1 10 30 14 o 78.07000 1.466000  -0.4032000     2.931000  
1 1 1 10 30 16 o 37.98000 1.657000  -0.6945000     3.314000  
1 1 1 10 30 18 o 23.17000 2.482000  2.249000       4.963000  
1 1 1 10 30 20 o 28.64000 2.281000  5.093000       4.562000  
1 1 1 10 30 22 o 17.04000 3.315000  5.151000       6.630000  
1 1 1 10 30 24 o 9.417000 4.628000  ?              ?         
1 1 1 10 30 26 o 36.44000 2.585000  -3.983000      5.170000  
1 1 1 10 30 28 o 10.26000 2.934000  4.208000       5.868000  
1 1 1 10 30 30 o 19.84000 3.442000  -6.126000      6.885000  
1 1 1 10 30 32 o 14.26000 3.962000  7.156000       7.923000  
1 1 1 10 30 34 o 10.97000 3.023000  2.027000       6.045000  
1 1 1 10 30 36 o 6.777000 2.255000  3.425000       4.511000  
1 1 1 10 30 38 o 13.38000 4.360000  ?              ?         
1 1 1 10 31 1  o 21.45000 2.917000  4.251000       5.835000  
1 1 1 10 31 3  o 78.66000 1.361000  -1.831000      2.722000  
1 1 1 10 31 5  o 68.89000 1.381000  7.629000       2.762000  
1 1 1 10 31 7  o 25.33000 2.519000  -1.699000      5.038000  
1 1 1 10 31 9  o 15.51000 3.460000  -6.421000      6.920000  
1 1 1 10 31 11 o 25.10000 2.776000  1.628000       5.553000  
1 1 1 10 31 13 o 15.47000 3.324000  -2.030000      6.649000  
1 1 1 10 31 15 o 52.10000 1.491000  -1.446000      2.982000  
1 1 1 10 31 17 o 47.47000 1.654000  1.739000       3.308000  
1 1 1 10 31 19 o 28.20000 3.455000  -0.8354000     6.909000  
1 1 1 10 31 21 o 17.43000 3.323000  0.8974000      6.646000  
1 1 1 10 31 23 o 17.97000 8.648000  ?              ?         
1 1 1 10 31 27 o 25.35000 3.208000  -6.582000      6.416000  
1 1 1 10 31 29 o 20.66000 3.192000  -0.2687000     6.384000  
1 1 1 10 31 31 o 28.31000 3.623000  -2.435000      7.247000  
1 1 1 10 31 33 o 25.51000 4.294000  7.330000       8.588000  
1 1 1 10 31 35 o 8.112000 2.672000  5.745000       5.344000  
1 1 1 10 31 37 o 11.85000 3.787000  ?              ?         
1 1 1 10 32 0  o 30.18000 3.365000  0.000000       0.000000  
1 1 1 10 32 2  o 58.27000 1.663000  1.241000       3.327000  
1 1 1 10 32 4  o 18.92000 3.294000  4.283000       6.588000  
1 1 1 10 32 6  o 25.42000 2.879000  2.782000       5.759000  
1 1 1 10 32 8  o 78.78000 1.748000  -1.620000      3.496000  
1 1 1 10 32 10 f 21.93000 3.225000  -1.420000      6.450000  
1 1 1 10 32 12 o 28.37000 2.510000  3.524000       5.019000  
1 1 1 10 32 14 o 37.82000 2.045000  -0.7596000     4.090000  
1 1 1 10 32 16 o 34.42000 2.363000  0.5444000      4.725000  
1 1 1 10 32 18 o 10.47000 3.412000  -6.148000      6.824000  
1 1 1 10 32 20 o 30.77000 3.220000  8.529000       6.441000  
1 1 1 10 32 22 o 13.29000 3.845000  -0.2562000     7.690000  
1 1 1 10 32 24 o 7.467000 3.711000  ?              ?         
1 1 1 10 32 26 o 17.73000 3.659000  2.463000       7.319000  
1 1 1 10 32 28 o 19.50000 2.899000  -1.204000      5.798000  
1 1 1 10 32 30 o 21.97000 2.871000  -9.205000      5.742000  
1 1 1 10 32 32 o 36.53000 2.014000  3.868000       4.028000  
1 1 1 10 32 34 o 8.475000 2.964000  6.991000       5.929000  
1 1 1 10 32 36 o 11.61000 3.961000  ?              ?         
1 1 1 10 33 1  o 14.35000 3.474000  -4.890000      6.948000  
1 1 1 10 33 3  o 21.61000 3.004000  1.515000       6.008000  
1 1 1 10 33 5  o 49.32000 1.548000  2.041000       3.096000  
1 1 1 10 33 7  o 21.56000 3.469000  -1.258000      6.937000  
1 1 1 10 33 9  o 20.15000 3.521000  -1.154000      7.041000  
1 1 1 10 33 11 o 54.29000 1.683000  -2.464000      3.366000  
1 1 1 10 33 13 o 31.16000 2.427000  3.819000       4.853000  
1 1 1 10 33 15 o 14.20000 4.063000  -13.54000      8.125000  
1 1 1 10 33 17 o 19.80000 3.585000  4.933000       7.171000  
1 1 1 10 33 19 o 32.78000 3.567000  3.258000       7.134000  
1 1 1 10 33 21 o 56.54000 1.425000  -5.352000      2.850000  
1 1 1 10 33 23 o 10.12000 2.721000  10.66000       5.441000  
1 1 1 10 33 25 o 18.75000 3.499000  -0.5044000     6.998000  
1 1 1 10 33 27 o 20.97000 2.971000  -11.43000      5.941000  
1 1 1 10 33 29 o 22.47000 2.711000  0.6925000      5.421000  
1 1 1 10 33 31 o 18.13000 3.048000  -3.348000      6.096000  
1 1 1 10 33 33 o 7.746000 3.784000  ?              ?         
1 1 1 10 33 35 o 18.56000 4.743000  ?              ?         
1 1 1 10 34 0  o 11.08000 4.734000  0.000000       0.000000  
1 1 1 10 34 2  f 19.79000 3.344000  5.157000       6.689000  
1 1 1 10 34 4  o 35.08000 2.089000  1.979000       4.178000  
1 1 1 10 34 6  f 31.45000 2.443000  -2.835000      4.886000  
1 1 1 10 34 8  o 37.07000 2.138000  2.662000       4.277000  
1 1 1 10 34 10 o 17.15000 3.662000  -1.559000      7.323000  
1 1 1 10 34 12 o 35.10000 2.164000  -2.560000      4.329000  
1 1 1 10 34 14 o 18.71000 3.974000  3.267000       7.949000  
1 1 1 10 34 16 o 11.94000 3.190000  7.152000       6.380000  
1 1 1 10 34 20 o 11.21000 5.132000  ?              ?         
1 1 1 10 34 22 o 10.33000 2.609000  7.555000       5.217000  
1 1 1 10 34 24 o 11.66000 3.458000  -3.698000      6.916000  
1 1 1 10 34 26 o 17.73000 3.238000  1.228000       6.475000  
1 1 1 10 34 28 o 9.169000 2.918000  2.835000       5.837000  
1 1 1 10 34 30 o 14.10000 2.665000  -4.890000      5.329000  
1 1 1 10 34 32 o 6.904000 3.419000  ?              ?         
1 1 1 10 35 1  f 15.67000 3.899000  -4.664000      7.798000  
1 1 1 10 35 3  o 38.34000 2.289000  1.144000       4.577000  
1 1 1 10 35 5  o 49.14000 1.716000  3.066000       3.433000  
1 1 1 10 35 7  o 38.71000 2.244000  0.7961000      4.488000  
1 1 1 10 35 9  o 29.82000 2.605000  -3.955000      5.210000  
1 1 1 10 35 11 o 29.50000 3.612000  2.148000       7.225000  
1 1 1 10 35 13 o 19.40000 3.159000  10.52000       6.319000  
1 1 1 10 35 15 o 8.828000 4.405000  ?              ?         
1 1 1 10 35 17 o 61.79000 1.469000  2.245000       2.939000  
1 1 1 10 35 19 o 5.783000 2.899000  ?              ?         
1 1 1 10 35 21 o 30.29000 3.025000  -1.691000      6.050000  
1 1 1 10 35 23 o 22.28000 3.198000  -1.137000      6.396000  
1 1 1 10 35 25 o 35.78000 1.954000  3.183000       3.908000  
1 1 1 10 35 27 o 31.71000 2.893000  5.893000       5.786000  
1 1 1 10 35 29 o 16.85000 2.671000  -10.78000      5.342000  
1 1 1 10 35 31 o 9.729000 2.632000  0.9329000      5.264000  
1 1 1 10 36 0  o 27.51000 5.080000  0.000000       0.000000  
1 1 1 10 36 2  o 25.76000 3.619000  8.772000       7.237000  
1 1 1 10 36 4  o 13.53000 4.115000  0.7527000      8.231000  
1 1 1 10 36 6  o 16.33000 4.083000  -5.135000      8.165000  
1 1 1 10 36 8  o 20.89000 3.015000  2.382000       6.030000  
1 1 1 10 36 10 o 9.081000 2.990000  0.5951000      5.980000  
1 1 1 10 36 14 o 67.87000 1.640000  6.052000       3.280000  
1 1 1 10 36 16 o 24.78000 4.602000  -18.37000      9.205000  
1 1 1 10 36 18 o 10.27000 2.768000  6.385000       5.535000  
1 1 1 10 36 20 o 14.74000 3.971000  -2.513000      7.942000  
1 1 1 10 36 22 o 22.77000 3.549000  2.860000       7.099000  
1 1 1 10 36 24 o 28.05000 2.424000  8.040000       4.848000  
1 1 1 10 36 26 o 28.04000 2.594000  3.023000       5.188000  
1 1 1 10 36 28 o 8.651000 2.617000  -0.1137000     5.234000  
1 1 1 10 36 30 o 33.74000 2.777000  0.3723000      5.553000  
1 1 1 10 37 1  o 9.466000 3.158000  -0.1598000     6.316000  
1 1 1 10 37 3  o 9.084000 3.052000  -0.5463000     6.104000  
1 1 1 10 37 5  o 11.08000 3.639000  -0.6373000     7.278000  
1 1 1 10 37 7  o 7.678000 3.816000  ?              ?         
1 1 1 10 37 9  o 10.21000 3.481000  -0.4546000     6.963000  
1 1 1 10 37 11 o 60.05000 1.687000  -0.1913000     3.373000  
1 1 1 10 37 15 o 15.05000 2.874000  13.58000       5.749000  
1 1 1 10 37 17 o 40.18000 2.499000  0.6235000      4.998000  
1 1 1 10 37 19 o 15.78000 3.996000  1.481000       7.992000  
1 1 1 10 37 21 o 13.10000 3.719000  -0.4929000     7.437000  
1 1 1 10 37 23 o 12.47000 3.673000  -4.923000      7.347000  
1 1 1 10 37 25 o 9.560000 3.012000  -0.4270000     6.025000  
1 1 1 10 37 27 o 8.298000 2.734000  0.5883000      5.468000  
1 1 1 10 37 29 o 26.93000 2.975000  -9.905000      5.950000  
1 1 1 10 38 0  o 11.46000 5.482000  0.000000       0.000000  
1 1 1 10 38 2  o 37.74000 3.322000  13.82000       6.644000  
1 1 1 10 38 4  o 62.46000 2.258000  6.156000       4.515000  
1 1 1 10 38 6  f 66.12000 2.025000  -4.298000      4.049000  
1 1 1 10 38 8  o 8.779000 2.820000  -1.103000      5.639000  
1 1 1 10 38 10 o 6.521000 3.233000  ?              ?         
1 1 1 10 38 12 o 16.10000 3.327000  6.299000       6.653000  
1 1 1 10 38 14 o 47.32000 2.678000  -2.046000      5.357000  
1 1 1 10 38 16 o 40.18000 2.925000  -0.7849000     5.850000  
1 1 1 10 38 18 o 31.23000 2.904000  -0.1841000     5.809000  
1 1 1 10 38 20 o 15.41000 3.829000  2.896000       7.658000  
1 1 1 10 38 22 o 22.44000 3.197000  4.569000       6.395000  
1 1 1 10 38 24 o 24.49000 3.157000  -0.3918000     6.314000  
1 1 1 10 38 26 o 8.806000 2.929000  0.2784000      5.857000  
1 1 1 10 38 28 o 10.11000 3.179000  6.974000       6.359000  
1 1 1 10 39 3  o 10.09000 4.659000  ?              ?         
1 1 1 10 39 7  o 7.126000 2.350000  1.379000       4.701000  
1 1 1 10 39 9  o 22.88000 4.704000  -1.448000      9.408000  
1 1 1 10 39 11 o 14.93000 4.247000  0.5141000      8.493000  
1 1 1 10 39 13 o 54.76000 2.240000  5.567000       4.480000  
1 1 1 10 39 15 o 12.04000 3.634000  -0.7900000     7.267000  
1 1 1 10 39 17 o 21.28000 4.485000  1.465000       8.970000  
1 1 1 10 39 19 o 20.93000 3.776000  14.35000       7.552000  
1 1 1 10 39 21 o 20.27000 4.078000  3.907000       8.156000  
1 1 1 10 39 23 o 11.30000 2.941000  5.818000       5.882000  
1 1 1 10 39 25 o 9.654000 2.847000  4.077000       5.695000  
1 1 1 10 40 0  o 17.02000 7.122000  0.000000       0.000000  
1 1 1 10 40 2  f 17.21000 4.693000  3.833000       9.386000  
1 1 1 10 40 4  o 15.34000 4.371000  -5.381000      8.741000  
1 1 1 10 40 6  o 18.23000 4.991000  -6.277000      9.982000  
1 1 1 10 40 8  o 22.03000 4.285000  3.216000       8.570000  
1 1 1 10 40 10 o 16.29000 4.383000  0.3758000      8.766000  
1 1 1 10 40 12 f 20.58000 3.908000  5.217000       7.816000  
1 1 1 10 40 14 f 21.62000 3.657000  11.16000       7.313000  
1 1 1 10 40 16 o 12.63000 3.822000  -4.053000      7.644000  
1 1 1 10 40 18 o 12.59000 3.853000  -5.033000      7.705000  
1 1 1 10 40 20 o 13.07000 2.767000  4.525000       5.534000  
1 1 1 10 40 22 o 8.932000 2.591000  6.078000       5.183000  
1 1 1 10 40 24 o 27.82000 2.107000  -6.734000      4.213000  
1 1 1 10 41 1  o 15.19000 4.538000  2.762000       9.075000  
1 1 1 10 41 3  o 37.81000 5.155000  -5.477000      10.31000  
1 1 1 10 41 5  o 38.56000 2.754000  -8.987000      5.507000  
1 1 1 10 41 7  o 26.77000 4.413000  6.355000       8.827000  
1 1 1 10 41 9  o 31.11000 3.160000  -3.934000      6.320000  
1 1 1 10 41 11 o 31.50000 2.912000  3.889000       5.825000  
1 1 1 10 41 13 o 11.53000 3.639000  -1.463000      7.278000  
1 1 1 10 41 15 o 31.90000 3.156000  2.537000       6.312000  
1 1 1 10 41 17 o 11.80000 3.531000  -0.6615000E-01 7.063000  
1 1 1 10 41 19 o 6.584000 2.247000  1.456000       4.494000  
1 1 1 10 41 21 o 13.02000 2.757000  2.068000       5.514000  
1 1 1 10 41 23 o 15.78000 3.861000  7.402000       7.721000  
1 1 1 10 42 0  o 40.77000 3.537000  0.000000       0.000000  
1 1 1 10 42 2  o 18.44000 4.657000  -0.7927000     9.313000  
1 1 1 10 42 4  o 14.34000 4.236000  3.256000       8.471000  
1 1 1 10 42 6  o 13.54000 3.952000  0.3780000      7.904000  
1 1 1 10 42 8  o 19.07000 4.374000  4.983000       8.749000  
1 1 1 10 42 10 o 13.41000 3.948000  2.072000       7.896000  
1 1 1 10 42 12 o 30.01000 3.071000  -0.6559000     6.142000  
1 1 1 10 42 14 o 16.65000 2.759000  4.892000       5.519000  
1 1 1 10 42 16 o 7.498000 2.448000  0.9057000      4.896000  
1 1 1 10 42 18 o 6.221000 2.184000  0.1440000      4.368000  
1 1 1 10 42 20 o 30.37000 2.368000  10.14000       4.737000  
1 1 1 10 43 1  o 12.97000 3.962000  0.2499000      7.923000  
1 1 1 10 43 3  o 13.16000 3.959000  1.231000       7.918000  
1 1 1 10 43 5  o 12.34000 3.818000  -0.5996000     7.635000  
1 1 1 10 43 7  o 21.07000 4.502000  -2.014000      9.004000  
1 1 1 10 43 9  o 14.98000 4.284000  -0.4339000     8.569000  
1 1 1 10 43 11 o 9.828000 2.888000  1.223000       5.776000  
1 1 1 10 43 13 o 7.427000 2.514000  0.5316000E-01  5.029000  
1 1 1 10 43 15 o 6.636000 3.278000  ?              ?         
1 1 1 10 43 17 f 35.63000 1.602000  1.114000       3.204000  
1 1 1 10 43 19 o 19.53000 4.986000  ?              ?         
1 1 1 10 44 0  o 9.034000 3.898000  0.000000       0.000000  
1 1 1 10 44 2  o 8.225000 2.630000  0.6062000      5.259000  
1 1 1 10 44 4  o 8.661000 2.696000  -0.1051000     5.393000  
1 1 1 10 44 6  f 10.61000 3.018000  4.389000       6.036000  
1 1 1 10 44 8  o 8.000000 2.638000  2.217000       5.277000  
1 1 1 10 44 10 o 8.414000 2.890000  3.353000       5.781000  
1 1 1 10 44 12 o 9.260000 2.708000  -5.300000      5.417000  
1 1 1 10 44 14 o 27.63000 1.846000  2.545000       3.693000  
1 1 1 10 44 16 o 12.51000 4.594000  ?              ?         
1 1 1 10 45 1  o 7.136000 2.499000  -0.6572000     4.997000  
1 1 1 10 45 3  o 6.192000 3.092000  ?              ?         
1 1 1 10 45 5  o 7.024000 2.454000  1.230000       4.908000  
1 1 1 10 45 7  o 13.14000 2.656000  -2.623000      5.312000  
1 1 1 10 45 9  o 38.81000 1.986000  2.111000       3.971000  
1 1 1 10 45 11 o 5.982000 2.059000  1.319000       4.118000  
1 1 1 10 46 0  o 35.74000 4.050000  0.000000       0.000000  
1 1 1 10 46 2  o 12.17000 3.220000  5.021000       6.440000  
1 1 1 10 46 4  o 6.723000 2.276000  -0.5144000E-01 4.552000  
1 1 1 10 46 6  o 9.859000 3.088000  -1.516000      6.175000  
1 1 1 11 0  1  o 16.08000 1.150000  0.000000       0.000000  
1 1 1 11 0  3  o 67.42000 1.252000  0.000000       0.000000  
1 1 1 11 0  5  o 32.75000 0.8327000 0.000000       0.000000  
1 1 1 11 0  7  o 133.5000 2.787000  0.000000       0.000000  
1 1 1 11 0  9  o 35.32000 1.138000  0.000000       0.000000  
1 1 1 11 0  11 o 25.15000 0.6980000 0.000000       0.000000  
1 1 1 11 0  13 o 128.1000 3.292000  0.000000       0.000000  
1 1 1 11 0  15 o 130.9000 2.385000  0.000000       0.000000  
1 1 1 11 0  17 o 52.31000 1.242000  0.000000       0.000000  
1 1 1 11 0  19 o 57.67000 1.784000  0.000000       0.000000  
1 1 1 11 0  21 o 23.27000 1.456000  0.000000       0.000000  
1 1 1 11 0  23 o 19.40000 1.497000  0.000000       0.000000  
1 1 1 11 0  25 o 36.85000 1.070000  0.000000       0.000000  
1 1 1 11 0  27 o 70.37000 1.669000  0.000000       0.000000  
1 1 1 11 0  29 o 56.96000 1.623000  0.000000       0.000000  
1 1 1 11 0  31 o 30.86000 1.836000  0.000000       0.000000  
1 1 1 11 0  33 o 85.37000 2.430000  0.000000       0.000000  
1 1 1 11 0  35 o 20.28000 3.879000  0.000000       0.000000  
1 1 1 11 0  37 o 23.80000 2.082000  0.000000       0.000000  
1 1 1 11 0  39 o 13.62000 3.373000  0.000000       0.000000  
1 1 1 11 0  41 o 25.09000 4.066000  0.000000       0.000000  
1 1 1 11 0  43 o 14.55000 3.391000  0.000000       0.000000  
1 1 1 11 0  45 o 8.640000 3.468000  0.000000       0.000000  
1 1 1 11 0  47 o 7.740000 3.229000  0.000000       0.000000  
1 1 1 11 0  49 o 23.21000 2.128000  0.000000       0.000000  
1 1 1 11 1  0  o 7.206000 2.071000  0.000000       0.000000  
1 1 1 11 1  2  o 104.3000 1.732000  0.4480000      3.464000  
1 1 1 11 1  4  o 43.12000 0.7514000 -0.1810000     1.503000  
1 1 1 11 1  6  o 46.18000 0.7388000 -0.4604000     1.478000  
1 1 1 11 1  8  o 87.62000 1.396000  -1.708000      2.791000  
1 1 1 11 1  10 o 75.32000 1.062000  -0.5995000E-01 2.125000  
1 1 1 11 1  12 o 50.31000 0.7512000 0.1263000      1.502000  
1 1 1 11 1  14 o 69.30000 1.066000  1.835000       2.133000  
1 1 1 11 1  16 o 44.34000 0.8150000 1.222000       1.630000  
1 1 1 11 1  18 o 84.12000 1.156000  3.783000       2.312000  
1 1 1 11 1  20 o 52.52000 0.9268000 2.953000       1.854000  
1 1 1 11 1  22 o 59.89000 1.176000  -0.2719000     2.351000  
1 1 1 11 1  24 o 13.86000 2.117000  6.070000       4.235000  
1 1 1 11 1  26 o 89.85000 1.321000  1.673000       2.642000  
1 1 1 11 1  28 o 73.16000 1.152000  -1.469000      2.303000  
1 1 1 11 1  30 o 85.21000 1.384000  -2.826000      2.768000  
1 1 1 11 1  32 o 40.69000 0.8948000 -1.196000      1.790000  
1 1 1 11 1  34 o 17.30000 1.445000  2.487000       2.890000  
1 1 1 11 1  36 o 6.301000 1.887000  -0.3578000     3.774000  
1 1 1 11 1  38 o 8.163000 2.013000  -0.7940000     4.025000  
1 1 1 11 1  40 o 46.19000 1.566000  -1.009000      3.133000  
1 1 1 11 1  42 o 13.23000 2.787000  4.852000       5.574000  
1 1 1 11 1  44 o 12.80000 2.259000  -0.2931000     4.519000  
1 1 1 11 1  46 o 41.67000 1.123000  0.1414000      2.246000  
1 1 1 11 1  48 f 38.85000 3.526000  2.383000       7.053000  
1 1 1 11 2  1  o 59.99000 1.033000  -0.9355000E-01 2.066000  
1 1 1 11 2  3  o 55.11000 0.9081000 0.5030000      1.816000  
1 1 1 11 2  5  o 64.88000 1.050000  -0.6995000     2.100000  
1 1 1 11 2  7  o 35.33000 0.6499000 -0.9852000     1.300000  
1 1 1 11 2  9  o 29.17000 0.5424000 0.6972000      1.085000  
1 1 1 11 2  11 o 37.61000 0.6175000 -0.6493000     1.235000  
1 1 1 11 2  13 o 77.00000 1.093000  0.2267000      2.185000  
1 1 1 11 2  15 o 116.5000 1.621000  0.3159000      3.241000  
1 1 1 11 2  17 o 100.9000 1.417000  -2.106000      2.833000  
1 1 1 11 2  19 o 60.42000 1.063000  -0.6725000     2.126000  
1 1 1 11 2  21 o 25.86000 1.159000  1.779000       2.317000  
1 1 1 11 2  23 o 12.22000 2.851000  -3.519000      5.703000  
1 1 1 11 2  25 o 75.10000 1.268000  -0.4542000     2.536000  
1 1 1 11 2  27 o 61.42000 1.129000  3.265000       2.257000  
1 1 1 11 2  29 o 76.86000 1.272000  -5.814000      2.544000  
1 1 1 11 2  31 o 11.54000 1.587000  -1.713000      3.175000  
1 1 1 11 2  33 o 13.76000 3.168000  -10.44000      6.336000  
1 1 1 11 2  35 o 44.78000 0.8772000 0.5022000      1.754000  
1 1 1 11 2  37 o 41.09000 1.043000  1.969000       2.087000  
1 1 1 11 2  39 o 54.84000 1.277000  -0.7335000     2.554000  
1 1 1 11 2  41 o 5.533000 1.929000  -1.005000      3.858000  
1 1 1 11 2  43 o 31.86000 1.131000  0.5206000      2.262000  
1 1 1 11 2  45 o 27.49000 1.528000  5.426000       3.056000  
1 1 1 11 2  47 f 9.295000 2.068000  4.083000       4.136000  
1 1 1 11 2  49 o 18.17000 1.826000  6.073000       3.653000  
1 1 1 11 3  0  o 27.09000 0.7980000 0.000000       0.000000  
1 1 1 11 3  2  o 23.03000 0.6191000 -0.6425000     1.238000  
1 1 1 11 3  4  o 21.85000 0.6016000 0.7615000      1.203000  
1 1 1 11 3  6  f 23.91000 0.6116000 -0.7883000     1.223000  
1 1 1 11 3  8  o 51.32000 0.7603000 -3.098000      1.521000  
1 1 1 11 3  10 o 85.97000 1.206000  -1.422000      2.413000  
1 1 1 11 3  12 o 60.64000 0.9470000 -2.738000      1.894000  
1 1 1 11 3  14 o 87.29000 1.172000  -3.758000      2.344000  
1 1 1 11 3  16 o 92.02000 1.234000  -6.160000      2.469000  
1 1 1 11 3  18 o 29.34000 0.8183000 -3.364000      1.637000  
1 1 1 11 3  20 f 106.5000 1.661000  1.668000       3.322000  
1 1 1 11 3  22 o 20.98000 1.157000  3.616000       2.314000  
1 1 1 11 3  24 o 7.940000 1.799000  1.463000       3.597000  
1 1 1 11 3  26 o 92.11000 1.455000  -0.3397000     2.910000  
1 1 1 11 3  28 o 55.64000 1.246000  -5.840000      2.493000  
1 1 1 11 3  30 o 13.38000 1.465000  -0.1066000E-01 2.930000  
1 1 1 11 3  32 o 31.94000 1.125000  -2.532000      2.250000  
1 1 1 11 3  34 o 39.75000 0.9373000 0.4465000      1.875000  
1 1 1 11 3  36 o 6.104000 1.800000  -0.1585000     3.599000  
1 1 1 11 3  38 o 7.334000 1.975000  -4.503000      3.951000  
1 1 1 11 3  40 o 41.36000 1.193000  0.6301000      2.386000  
1 1 1 11 3  42 o 39.03000 1.230000  -2.659000      2.461000  
1 1 1 11 3  44 o 42.30000 1.251000  -3.473000      2.502000  
1 1 1 11 3  46 o 15.80000 1.662000  -2.040000      3.324000  
1 1 1 11 3  48 o 39.59000 0.9879000 1.462000       1.976000  
1 1 1 11 4  1  o 92.89000 1.384000  0.1898000      2.767000  
1 1 1 11 4  3  o 36.42000 0.6759000 -0.2310000     1.352000  
1 1 1 11 4  5  o 5.948000 1.355000  -2.248000      2.711000  
1 1 1 11 4  7  o 33.43000 0.5689000 -1.157000      1.138000  
1 1 1 11 4  9  o 27.67000 0.5456000 -1.111000      1.091000  
1 1 1 11 4  11 o 86.43000 1.215000  2.641000       2.430000  
1 1 1 11 4  13 o 193.8000 2.674000  3.525000       5.348000  
1 1 1 11 4  15 o 123.1000 1.954000  4.741000       3.908000  
1 1 1 11 4  17 o 86.13000 1.344000  -0.5423000     2.687000  
1 1 1 11 4  19 o 37.32000 0.8621000 0.6342000      1.724000  
1 1 1 11 4  21 o 78.57000 1.818000  -1.565000      3.636000  
1 1 1 11 4  23 o 11.03000 2.139000  3.382000       4.278000  
1 1 1 11 4  25 o 53.05000 0.9681000 1.814000       1.936000  
1 1 1 11 4  27 o 73.84000 1.285000  -4.611000      2.571000  
1 1 1 11 4  29 f 77.37000 1.331000  -3.861000      2.661000  
1 1 1 11 4  31 o 33.64000 0.9341000 0.7103000      1.868000  
1 1 1 11 4  33 o 50.28000 1.053000  1.701000       2.106000  
1 1 1 11 4  35 o 7.520000 1.859000  1.920000       3.718000  
1 1 1 11 4  37 o 39.78000 1.831000  0.9568000      3.661000  
1 1 1 11 4  39 o 14.28000 2.905000  -1.694000      5.810000  
1 1 1 11 4  41 o 24.38000 4.044000  -13.98000      8.089000  
1 1 1 11 4  43 o 39.51000 1.198000  -4.288000      2.395000  
1 1 1 11 4  45 o 41.68000 1.139000  -3.068000      2.279000  
1 1 1 11 4  47 o 8.956000 2.259000  3.373000       4.518000  
1 1 1 11 4  49 o 6.094000 2.794000  ?              ?         
1 1 1 11 5  0  f 127.7000 2.669000  0.000000       0.000000  
1 1 1 11 5  2  o 60.16000 0.8660000 0.7624000      1.732000  
1 1 1 11 5  4  o 58.11000 0.9284000 -1.104000      1.857000  
1 1 1 11 5  6  o 51.32000 0.8405000 -0.6375000     1.681000  
1 1 1 11 5  8  o 54.93000 0.7436000 0.2562000      1.487000  
1 1 1 11 5  10 o 62.83000 0.9066000 0.3030000      1.813000  
1 1 1 11 5  12 o 60.22000 0.8778000 0.4216000      1.756000  
1 1 1 11 5  14 o 35.65000 0.6780000 -1.775000      1.356000  
1 1 1 11 5  16 o 139.4000 1.936000  -0.1056000     3.873000  
1 1 1 11 5  18 o 24.18000 0.8568000 -1.218000      1.714000  
1 1 1 11 5  20 o 24.80000 1.103000  -3.019000      2.205000  
1 1 1 11 5  22 f 44.48000 0.9433000 2.709000       1.887000  
1 1 1 11 5  24 o 78.24000 1.153000  1.764000       2.306000  
1 1 1 11 5  26 o 25.97000 0.9571000 -0.8989000     1.914000  
1 1 1 11 5  28 o 20.14000 0.9572000 1.835000       1.914000  
1 1 1 11 5  30 o 46.03000 1.017000  -3.882000      2.035000  
1 1 1 11 5  32 o 65.67000 1.143000  1.789000       2.286000  
1 1 1 11 5  34 o 25.77000 0.9828000 -0.1360000E-02 1.966000  
1 1 1 11 5  36 o 28.67000 0.9741000 0.4668000      1.948000  
1 1 1 11 5  38 o 47.51000 1.815000  -3.437000      3.630000  
1 1 1 11 5  40 o 30.11000 2.727000  -5.089000      5.453000  
1 1 1 11 5  42 o 25.37000 1.235000  1.985000       2.470000  
1 1 1 11 5  44 o 9.070000 2.039000  0.3631000      4.078000  
1 1 1 11 5  46 o 9.948000 1.776000  3.799000       3.552000  
1 1 1 11 5  48 o 9.765000 2.338000  -0.4132000     4.675000  
1 1 1 11 6  1  o 11.90000 0.8212000 0.1300000      1.642000  
1 1 1 11 6  3  o 51.85000 0.7397000 0.7882000      1.479000  
1 1 1 11 6  5  o 37.46000 0.6758000 -0.3106000     1.352000  
1 1 1 11 6  7  o 39.30000 0.5874000 0.3878000      1.175000  
1 1 1 11 6  9  o 93.63000 1.214000  0.2281000      2.428000  
1 1 1 11 6  11 o 124.8000 1.602000  3.267000       3.204000  
1 1 1 11 6  13 o 163.9000 2.096000  -1.135000      4.192000  
1 1 1 11 6  15 o 91.85000 1.203000  2.450000       2.406000  
1 1 1 11 6  17 o 86.67000 1.152000  1.024000       2.304000  
1 1 1 11 6  19 o 90.96000 1.285000  1.644000       2.570000  
1 1 1 11 6  21 o 51.38000 3.017000  -13.09000      6.034000  
1 1 1 11 6  23 o 35.04000 0.8979000 -0.8134000     1.796000  
1 1 1 11 6  25 f 50.03000 1.004000  4.928000       2.007000  
1 1 1 11 6  27 f 96.16000 1.559000  -0.5346000     3.117000  
1 1 1 11 6  29 o 48.09000 1.039000  -0.7972000     2.079000  
1 1 1 11 6  31 o 33.39000 0.9297000 1.128000       1.859000  
1 1 1 11 6  33 o 52.15000 1.014000  -1.581000      2.027000  
1 1 1 11 6  35 o 41.72000 0.9719000 1.324000       1.944000  
1 1 1 11 6  37 o 24.98000 1.005000  -0.3593000     2.010000  
1 1 1 11 6  39 o 31.80000 3.052000  -6.270000      6.103000  
1 1 1 11 6  41 o 17.53000 2.975000  -2.576000      5.950000  
1 1 1 11 6  43 o 23.20000 1.764000  -5.756000      3.529000  
1 1 1 11 6  45 o 8.430000 2.538000  -3.280000      5.077000  
1 1 1 11 6  47 o 25.35000 1.840000  1.224000       3.680000  
1 1 1 11 7  0  o 73.06000 1.359000  0.000000       0.000000  
1 1 1 11 7  2  o 42.18000 0.6646000 -1.447000      1.329000  
1 1 1 11 7  4  o 52.33000 0.7234000 0.7499000      1.447000  
1 1 1 11 7  6  o 65.41000 0.9374000 1.451000       1.875000  
1 1 1 11 7  8  o 45.11000 0.6529000 0.4181000      1.306000  
1 1 1 11 7  10 o 82.75000 1.252000  0.3927000      2.504000  
1 1 1 11 7  12 o 179.6000 2.296000  -3.522000      4.592000  
1 1 1 11 7  14 o 84.54000 1.204000  -1.142000      2.408000  
1 1 1 11 7  16 o 95.29000 1.438000  -1.145000      2.876000  
1 1 1 11 7  18 o 73.52000 1.184000  -1.568000      2.369000  
1 1 1 11 7  20 o 161.6000 2.190000  6.878000       4.380000  
1 1 1 11 7  22 o 123.4000 1.943000  0.8397000      3.885000  
1 1 1 11 7  24 o 14.57000 1.151000  2.130000       2.303000  
1 1 1 11 7  26 o 80.95000 1.367000  1.335000       2.733000  
1 1 1 11 7  28 o 48.43000 1.040000  -2.252000      2.079000  
1 1 1 11 7  30 f 52.79000 1.009000  -1.056000      2.018000  
1 1 1 11 7  32 o 6.187000 1.693000  0.8928000      3.385000  
1 1 1 11 7  34 o 41.01000 1.093000  3.345000       2.187000  
1 1 1 11 7  36 o 18.27000 1.886000  4.636000       3.772000  
1 1 1 11 7  38 o 7.229000 2.182000  -1.773000      4.364000  
1 1 1 11 7  40 o 58.80000 2.016000  -1.348000      4.032000  
1 1 1 11 7  42 o 10.71000 2.642000  -1.607000      5.284000  
1 1 1 11 7  44 o 13.43000 2.636000  1.384000       5.273000  
1 1 1 11 7  46 o 31.07000 1.606000  -0.7505000E-01 3.211000  
1 1 1 11 7  48 o 22.90000 3.798000  -10.12000      7.596000  
1 1 1 11 8  1  o 26.34000 0.5664000 0.2695000      1.133000  
1 1 1 11 8  3  o 97.70000 1.495000  -0.5856000     2.991000  
1 1 1 11 8  5  o 13.56000 0.9899000 -1.060000      1.980000  
1 1 1 11 8  7  o 55.23000 0.8205000 -1.597000      1.641000  
1 1 1 11 8  9  o 70.42000 0.9405000 -1.096000      1.881000  
1 1 1 11 8  11 o 114.9000 1.484000  1.148000       2.968000  
1 1 1 11 8  13 o 170.4000 2.182000  4.357000       4.365000  
1 1 1 11 8  15 o 38.60000 0.8135000 -0.5037000     1.627000  
1 1 1 11 8  17 o 26.05000 0.7794000 -3.297000      1.559000  
1 1 1 11 8  19 o 92.24000 1.491000  1.100000       2.982000  
1 1 1 11 8  21 o 67.47000 1.268000  0.7783000      2.536000  
1 1 1 11 8  23 o 29.46000 0.8751000 0.9712000      1.750000  
1 1 1 11 8  25 o 26.29000 0.8660000 -0.2781000     1.732000  
1 1 1 11 8  27 o 27.48000 0.9273000 -0.9279000     1.855000  
1 1 1 11 8  29 o 35.53000 0.9216000 0.5724000      1.843000  
1 1 1 11 8  31 o 30.86000 1.072000  1.195000       2.144000  
1 1 1 11 8  33 o 42.81000 1.108000  3.837000       2.216000  
1 1 1 11 8  35 o 45.34000 1.243000  5.260000       2.486000  
1 1 1 11 8  37 o 39.51000 1.301000  0.6239000      2.602000  
1 1 1 11 8  39 o 33.93000 2.801000  -2.525000      5.602000  
1 1 1 11 8  41 o 11.87000 3.550000  5.303000       7.101000  
1 1 1 11 8  43 o 45.11000 1.327000  4.145000       2.654000  
1 1 1 11 8  45 o 34.37000 1.458000  0.6833000      2.916000  
1 1 1 11 8  47 o 18.08000 2.490000  3.145000       4.980000  
1 1 1 11 9  0  o 18.90000 1.107000  0.000000       0.000000  
1 1 1 11 9  2  o 58.10000 0.9363000 -2.165000      1.873000  
1 1 1 11 9  4  o 82.80000 1.293000  1.710000       2.585000  
1 1 1 11 9  6  o 36.25000 0.6608000 -0.9170000E-01 1.322000  
1 1 1 11 9  8  o 70.35000 1.015000  -1.549000      2.031000  
1 1 1 11 9  10 o 157.8000 2.020000  3.764000       4.041000  
1 1 1 11 9  12 o 120.3000 1.554000  -0.9449000     3.108000  
1 1 1 11 9  14 o 107.2000 1.396000  -0.8974000E-01 2.791000  
1 1 1 11 9  16 o 122.5000 1.724000  4.403000       3.449000  
1 1 1 11 9  18 o 153.4000 2.145000  0.6956000      4.291000  
1 1 1 11 9  20 o 116.1000 1.818000  -0.2542000     3.637000  
1 1 1 11 9  22 o 56.07000 1.144000  2.732000       2.287000  
1 1 1 11 9  24 o 18.80000 0.9958000 -2.744000      1.992000  
1 1 1 11 9  26 o 68.31000 1.136000  1.711000       2.272000  
1 1 1 11 9  28 o 22.97000 1.127000  1.796000       2.254000  
1 1 1 11 9  30 f 20.74000 1.168000  -1.572000      2.337000  
1 1 1 11 9  32 o 19.02000 1.528000  1.504000       3.055000  
1 1 1 11 9  34 o 34.75000 1.122000  -0.1093000E-01 2.243000  
1 1 1 11 9  36 f 51.61000 1.322000  -1.910000      2.644000  
1 1 1 11 9  38 o 38.54000 1.491000  5.687000       2.981000  
1 1 1 11 9  40 o 24.29000 3.713000  -15.76000      7.427000  
1 1 1 11 9  42 o 25.47000 3.166000  0.8399000E-01  6.331000  
1 1 1 11 9  44 o 15.89000 2.443000  1.456000       4.886000  
1 1 1 11 9  46 o 9.866000 2.569000  0.5210000      5.138000  
1 1 1 11 9  48 o 18.22000 3.783000  -1.036000      7.567000  
1 1 1 11 10 1  o 39.06000 0.6158000 -0.3962000     1.232000  
1 1 1 11 10 3  o 19.04000 0.9183000 0.4685000      1.837000  
1 1 1 11 10 5  o 69.00000 1.111000  0.7629000      2.223000  
1 1 1 11 10 7  o 74.26000 1.069000  0.1241000E-01  2.138000  
1 1 1 11 10 9  o 10.30000 1.871000  -1.332000      3.741000  
1 1 1 11 10 11 o 63.55000 1.150000  -5.123000      2.299000  
1 1 1 11 10 13 f 38.54000 0.9182000 1.411000       1.836000  
1 1 1 11 10 15 o 134.3000 1.748000  3.300000       3.496000  
1 1 1 11 10 17 o 18.23000 1.060000  -4.485000      2.120000  
1 1 1 11 10 19 o 28.92000 1.016000  2.992000       2.033000  
1 1 1 11 10 21 o 92.74000 1.365000  -5.889000      2.729000  
1 1 1 11 10 23 o 117.3000 1.837000  -0.8732000     3.674000  
1 1 1 11 10 25 o 30.02000 0.9195000 -4.186000      1.839000  
1 1 1 11 10 27 f 21.13000 1.057000  0.3400000      2.113000  
1 1 1 11 10 29 o 32.07000 1.031000  -2.145000      2.063000  
1 1 1 11 10 31 o 5.816000 1.812000  -0.2492000     3.625000  
1 1 1 11 10 33 o 58.45000 1.185000  -1.807000      2.370000  
1 1 1 11 10 35 o 35.15000 1.290000  -1.908000      2.581000  
1 1 1 11 10 37 o 45.35000 1.379000  -2.640000      2.758000  
1 1 1 11 10 39 o 33.42000 1.775000  -2.566000      3.550000  
1 1 1 11 10 41 o 28.43000 3.470000  -2.963000      6.940000  
1 1 1 11 10 43 o 14.33000 2.451000  1.653000       4.902000  
1 1 1 11 10 45 o 34.97000 1.407000  2.485000       2.814000  
1 1 1 11 10 47 o 14.39000 2.367000  7.989000       4.734000  
1 1 1 11 11 0  f 11.42000 1.545000  0.000000       0.000000  
1 1 1 11 11 2  o 53.89000 0.7620000 -0.4832000     1.524000  
1 1 1 11 11 4  o 39.00000 0.8796000 2.024000       1.759000  
1 1 1 11 11 6  o 62.81000 1.337000  -3.542000      2.674000  
1 1 1 11 11 8  o 96.49000 1.559000  -0.8562000     3.118000  
1 1 1 11 11 10 o 105.0000 1.489000  -3.326000      2.977000  
1 1 1 11 11 12 o 149.5000 2.009000  5.622000       4.017000  
1 1 1 11 11 14 o 14.96000 1.245000  1.902000       2.490000  
1 1 1 11 11 16 o 35.46000 0.8546000 -0.3404000     1.709000  
1 1 1 11 11 18 o 38.92000 1.386000  -1.116000      2.772000  
1 1 1 11 11 20 o 30.02000 0.8434000 -2.994000      1.687000  
1 1 1 11 11 22 o 106.9000 1.426000  -2.969000      2.851000  
1 1 1 11 11 24 o 50.24000 0.9891000 -2.564000      1.978000  
1 1 1 11 11 26 o 14.10000 1.384000  -1.243000      2.768000  
1 1 1 11 11 28 f 66.25000 1.215000  -3.493000      2.431000  
1 1 1 11 11 30 o 19.79000 1.218000  -4.302000      2.436000  
1 1 1 11 11 32 o 48.96000 1.103000  2.574000       2.206000  
1 1 1 11 11 34 o 40.59000 1.081000  -2.122000      2.162000  
1 1 1 11 11 36 o 32.42000 1.423000  4.342000       2.847000  
1 1 1 11 11 38 o 67.24000 1.871000  -3.099000      3.742000  
1 1 1 11 11 40 o 56.46000 2.402000  ?              ?         
1 1 1 11 11 42 f 13.83000 3.557000  -0.1254000     7.114000  
1 1 1 11 11 44 o 8.448000 2.464000  -3.713000      4.927000  
1 1 1 11 11 46 o 39.35000 1.533000  3.752000       3.066000  
1 1 1 11 11 48 o 15.11000 3.938000  ?              ?         
1 1 1 11 12 1  o 36.07000 0.6550000 -1.616000      1.310000  
1 1 1 11 12 3  o 50.24000 0.8093000 2.394000       1.619000  
1 1 1 11 12 5  o 93.23000 1.472000  2.371000       2.944000  
1 1 1 11 12 7  o 74.26000 1.210000  -5.928000      2.420000  
1 1 1 11 12 9  o 47.91000 0.8834000 -1.593000      1.767000  
1 1 1 11 12 11 o 134.3000 1.881000  -0.4221000     3.763000  
1 1 1 11 12 13 o 59.97000 1.009000  -4.195000      2.019000  
1 1 1 11 12 15 o 18.24000 1.232000  1.635000       2.464000  
1 1 1 11 12 17 o 83.92000 1.492000  1.207000       2.983000  
1 1 1 11 12 19 o 94.88000 1.697000  -1.191000      3.394000  
1 1 1 11 12 21 o 48.87000 0.8707000 0.7689000      1.741000  
1 1 1 11 12 23 o 9.048000 1.597000  -1.561000      3.194000  
1 1 1 11 12 25 o 86.32000 1.436000  3.341000       2.873000  
1 1 1 11 12 27 o 75.44000 1.317000  -2.069000      2.634000  
1 1 1 11 12 29 o 48.17000 1.273000  -0.7071000     2.546000  
1 1 1 11 12 31 o 27.19000 1.044000  -4.824000      2.088000  
1 1 1 11 12 33 o 8.567000 2.073000  1.256000       4.146000  
1 1 1 11 12 35 o 26.38000 1.588000  -3.543000      3.175000  
1 1 1 11 12 37 o 21.91000 2.287000  3.627000       4.573000  
1 1 1 11 12 39 o 35.98000 3.184000  -10.33000      6.368000  
1 1 1 11 12 41 o 14.25000 4.019000  6.336000       8.038000  
1 1 1 11 12 43 o 59.36000 1.545000  2.000000       3.090000  
1 1 1 11 12 45 o 61.88000 1.406000  1.693000       2.812000  
1 1 1 11 12 47 o 47.28000 2.066000  0.7054000      4.132000  
1 1 1 11 13 0  o 70.38000 1.370000  0.000000       0.000000  
1 1 1 11 13 2  o 73.40000 0.9979000 -1.522000      1.996000  
1 1 1 11 13 4  o 116.3000 1.509000  0.4474000      3.018000  
1 1 1 11 13 6  o 104.4000 1.411000  -3.985000      2.822000  
1 1 1 11 13 8  o 81.74000 1.336000  -1.144000      2.672000  
1 1 1 11 13 10 f 110.3000 1.561000  0.5926000      3.122000  
1 1 1 11 13 12 o 44.37000 0.8991000 -3.590000      1.798000  
1 1 1 11 13 14 o 84.49000 1.296000  -0.9351000     2.593000  
1 1 1 11 13 16 o 113.5000 1.625000  2.092000       3.250000  
1 1 1 11 13 18 o 85.38000 1.620000  -0.2723000     3.240000  
1 1 1 11 13 20 o 17.44000 0.9603000 -3.175000      1.921000  
1 1 1 11 13 22 o 32.13000 0.8434000 2.362000       1.687000  
1 1 1 11 13 24 o 32.25000 0.8617000 3.209000       1.723000  
1 1 1 11 13 26 o 83.04000 1.259000  2.578000       2.518000  
1 1 1 11 13 28 o 42.38000 1.027000  1.444000       2.053000  
1 1 1 11 13 30 f 30.94000 1.009000  -0.7048000     2.017000  
1 1 1 11 13 32 o 20.16000 1.302000  -4.621000      2.604000  
1 1 1 11 13 34 o 46.54000 1.141000  0.4706000      2.282000  
1 1 1 11 13 36 o 28.58000 1.531000  -3.895000      3.061000  
1 1 1 11 13 38 o 27.60000 2.679000  5.811000       5.359000  
1 1 1 11 13 40 f 16.66000 3.523000  -5.050000      7.046000  
1 1 1 11 13 42 o 30.87000 2.447000  -8.071000      4.893000  
1 1 1 11 13 44 o 21.03000 1.811000  -2.463000      3.623000  
1 1 1 11 13 46 o 13.62000 2.721000  4.871000       5.441000  
1 1 1 11 14 1  o 74.03000 1.011000  -0.7317000     2.021000  
1 1 1 11 14 3  o 18.67000 1.505000  -2.464000      3.009000  
1 1 1 11 14 5  o 167.8000 2.153000  -4.917000      4.306000  
1 1 1 11 14 7  o 118.7000 1.674000  0.1861000      3.347000  
1 1 1 11 14 9  o 100.6000 1.606000  -0.4657000     3.212000  
1 1 1 11 14 11 o 27.28000 1.032000  -4.567000      2.064000  
1 1 1 11 14 13 o 30.66000 1.921000  -1.160000      3.842000  
1 1 1 11 14 15 o 95.70000 1.477000  1.854000       2.954000  
1 1 1 11 14 17 o 67.53000 1.358000  2.771000       2.716000  
1 1 1 11 14 19 o 69.20000 1.263000  -4.201000      2.527000  
1 1 1 11 14 21 o 112.8000 1.560000  5.874000       3.120000  
1 1 1 11 14 23 o 129.8000 1.779000  3.008000       3.558000  
1 1 1 11 14 25 o 27.82000 2.639000  -6.166000      5.277000  
1 1 1 11 14 27 o 43.16000 1.006000  -0.2893000     2.012000  
1 1 1 11 14 29 o 9.070000 2.492000  -5.811000      4.984000  
1 1 1 11 14 31 o 16.58000 1.476000  -0.5191000     2.951000  
1 1 1 11 14 33 o 42.02000 1.118000  3.157000       2.235000  
1 1 1 11 14 35 o 43.54000 1.366000  0.6158000      2.733000  
1 1 1 11 14 37 o 49.61000 1.910000  ?              ?         
1 1 1 11 14 39 o 21.40000 2.520000  -2.705000      5.041000  
1 1 1 11 14 41 o 24.38000 4.537000  -0.9178000     9.075000  
1 1 1 11 14 43 o 30.54000 2.818000  -2.166000      5.637000  
1 1 1 11 14 45 o 30.16000 1.769000  -0.1596000E-01 3.538000  
1 1 1 11 14 47 o 8.218000 3.697000  ?              ?         
1 1 1 11 15 0  o 102.4000 1.907000  0.000000       0.000000  
1 1 1 11 15 2  o 83.08000 1.120000  0.5310000      2.241000  
1 1 1 11 15 4  o 15.18000 1.255000  0.4057000      2.509000  
1 1 1 11 15 6  o 82.00000 1.291000  -0.7756000     2.581000  
1 1 1 11 15 8  o 65.69000 1.058000  -2.141000      2.117000  
1 1 1 11 15 10 o 136.4000 2.132000  -2.343000      4.264000  
1 1 1 11 15 12 o 95.20000 1.438000  0.9986000      2.876000  
1 1 1 11 15 14 o 62.16000 1.455000  -6.314000      2.909000  
1 1 1 11 15 16 o 76.12000 1.380000  2.811000       2.760000  
1 1 1 11 15 18 o 62.03000 1.071000  -2.192000      2.142000  
1 1 1 11 15 20 o 32.50000 0.8748000 -3.092000      1.750000  
1 1 1 11 15 22 o 54.78000 1.059000  1.075000       2.117000  
1 1 1 11 15 24 o 11.97000 1.331000  2.146000       2.661000  
1 1 1 11 15 26 o 68.74000 1.174000  3.755000       2.348000  
1 1 1 11 15 28 o 49.64000 1.894000  7.400000       3.787000  
1 1 1 11 15 30 o 30.81000 1.752000  ?              ?         
1 1 1 11 15 32 o 19.11000 1.311000  0.6412000      2.621000  
1 1 1 11 15 34 o 8.928000 2.550000  -5.926000      5.100000  
1 1 1 11 15 36 o 40.76000 1.568000  3.056000       3.136000  
1 1 1 11 15 38 o 58.79000 2.061000  -0.2037000     4.122000  
1 1 1 11 15 40 o 24.19000 4.579000  3.214000       9.159000  
1 1 1 11 15 42 o 27.28000 2.783000  -8.269000      5.567000  
1 1 1 11 15 44 o 16.35000 2.522000  -5.251000      5.043000  
1 1 1 11 15 46 o 27.36000 2.545000  5.289000       5.091000  
1 1 1 11 16 1  o 6.957000 1.944000  -0.2896000     3.888000  
1 1 1 11 16 3  o 116.6000 1.531000  -3.592000      3.061000  
1 1 1 11 16 5  o 143.8000 1.863000  1.071000       3.726000  
1 1 1 11 16 7  o 24.36000 1.054000  0.3034000      2.108000  
1 1 1 11 16 9  o 109.3000 1.474000  -0.3107000     2.948000  
1 1 1 11 16 11 o 44.87000 1.691000  5.458000       3.381000  
1 1 1 11 16 13 f 55.31000 1.718000  -0.9479000E-01 3.435000  
1 1 1 11 16 15 o 87.12000 1.584000  -3.765000      3.168000  
1 1 1 11 16 17 o 101.2000 1.502000  2.131000       3.005000  
1 1 1 11 16 19 o 97.37000 1.554000  2.481000       3.108000  
1 1 1 11 16 21 o 15.99000 1.325000  -2.766000      2.650000  
1 1 1 11 16 23 o 19.34000 1.027000  -2.330000      2.055000  
1 1 1 11 16 25 o 61.44000 1.110000  1.720000       2.219000  
1 1 1 11 16 27 o 29.44000 0.8127000 1.964000       1.625000  
1 1 1 11 16 29 o 67.43000 1.935000  7.546000       3.870000  
1 1 1 11 16 31 o 33.04000 2.575000  -9.445000      5.151000  
1 1 1 11 16 33 o 48.93000 1.761000  0.7967000      3.521000  
1 1 1 11 16 35 o 34.06000 2.165000  -3.846000      4.329000  
1 1 1 11 16 37 o 61.64000 2.989000  6.452000       5.978000  
1 1 1 11 16 39 o 57.83000 3.935000  3.023000       7.870000  
1 1 1 11 16 41 o 9.694000 3.069000  1.191000       6.138000  
1 1 1 11 16 43 o 28.49000 3.638000  -3.172000      7.277000  
1 1 1 11 16 45 o 9.292000 2.633000  0.6639000      5.267000  
1 1 1 11 17 0  o 123.2000 2.635000  0.000000       0.000000  
1 1 1 11 17 2  o 139.0000 1.808000  -0.5352000     3.617000  
1 1 1 11 17 4  o 106.3000 1.422000  2.049000       2.843000  
1 1 1 11 17 6  o 25.01000 1.340000  2.874000       2.680000  
1 1 1 11 17 8  o 49.53000 0.9975000 -1.172000      1.995000  
1 1 1 11 17 10 o 51.62000 1.488000  -3.948000      2.976000  
1 1 1 11 17 12 o 59.60000 3.141000  7.678000       6.282000  
1 1 1 11 17 14 o 25.12000 2.690000  -3.051000      5.380000  
1 1 1 11 17 16 o 37.24000 2.123000  0.9288000      4.246000  
1 1 1 11 17 18 o 65.88000 1.189000  -1.589000      2.379000  
1 1 1 11 17 20 o 51.09000 1.098000  0.2191000      2.196000  
1 1 1 11 17 22 o 23.67000 1.013000  -1.001000      2.025000  
1 1 1 11 17 24 o 50.75000 1.028000  -1.100000      2.056000  
1 1 1 11 17 26 o 77.60000 1.309000  -1.031000      2.619000  
1 1 1 11 17 28 o 44.93000 1.691000  3.511000       3.383000  
1 1 1 11 17 30 o 43.22000 1.767000  4.911000       3.533000  
1 1 1 11 17 32 o 46.09000 1.741000  -3.634000      3.483000  
1 1 1 11 17 34 o 34.30000 2.417000  1.336000       4.834000  
1 1 1 11 17 36 o 10.40000 3.451000  -0.9670000     6.902000  
1 1 1 11 17 38 o 64.78000 3.072000  -13.71000      6.144000  
1 1 1 11 17 40 o 17.32000 3.295000  -2.660000      6.590000  
1 1 1 11 17 42 o 12.62000 3.703000  2.342000       7.405000  
1 1 1 11 17 44 o 11.18000 3.306000  3.182000       6.611000  
1 1 1 11 18 1  o 126.2000 1.675000  -3.885000      3.351000  
1 1 1 11 18 3  o 62.31000 1.181000  2.264000       2.362000  
1 1 1 11 18 5  o 121.4000 2.169000  0.3795000      4.338000  
1 1 1 11 18 7  o 42.95000 1.712000  3.945000       3.425000  
1 1 1 11 18 9  o 102.2000 1.702000  -5.158000      3.404000  
1 1 1 11 18 11 o 88.76000 1.443000  0.1364000      2.886000  
1 1 1 11 18 13 o 46.03000 1.778000  0.2061000      3.557000  
1 1 1 11 18 15 o 48.84000 1.501000  -1.313000      3.001000  
1 1 1 11 18 17 o 59.38000 1.095000  0.8674000      2.191000  
1 1 1 11 18 19 o 13.08000 1.868000  -5.709000      3.736000  
1 1 1 11 18 21 o 46.98000 1.018000  0.1787000      2.037000  
1 1 1 11 18 23 o 84.92000 1.424000  1.402000       2.848000  
1 1 1 11 18 25 f 61.96000 1.067000  1.484000       2.135000  
1 1 1 11 18 27 o 98.13000 1.429000  6.357000       2.858000  
1 1 1 11 18 29 o 44.31000 1.793000  2.196000       3.586000  
1 1 1 11 18 31 o 64.66000 1.671000  0.3325000      3.342000  
1 1 1 11 18 33 o 33.37000 2.771000  -1.572000      5.542000  
1 1 1 11 18 35 o 7.217000 2.543000  1.953000       5.086000  
1 1 1 11 18 37 o 56.07000 2.208000  ?              ?         
1 1 1 11 18 39 o 22.94000 4.182000  -2.632000      8.364000  
1 1 1 11 18 41 o 21.23000 3.066000  -5.537000      6.132000  
1 1 1 11 18 43 o 18.96000 3.521000  -0.7010000     7.041000  
1 1 1 11 18 45 o 12.81000 2.876000  -3.104000      5.753000  
1 1 1 11 19 0  f 11.66000 4.253000  0.000000       0.000000  
1 1 1 11 19 2  o 29.61000 1.483000  1.871000       2.966000  
1 1 1 11 19 4  o 34.65000 2.062000  -2.676000      4.123000  
1 1 1 11 19 6  o 72.53000 1.642000  -1.302000      3.283000  
1 1 1 11 19 8  f 97.87000 1.555000  2.206000       3.109000  
1 1 1 11 19 10 o 23.83000 2.312000  5.988000       4.625000  
1 1 1 11 19 12 o 107.8000 1.927000  -8.867000      3.854000  
1 1 1 11 19 14 o 9.013000 2.303000  0.6140000      4.606000  
1 1 1 11 19 16 o 39.81000 1.854000  7.975000       3.709000  
1 1 1 11 19 18 o 62.45000 1.207000  -2.551000      2.415000  
1 1 1 11 19 20 o 38.37000 1.005000  4.703000       2.010000  
1 1 1 11 19 22 o 51.40000 1.043000  2.172000       2.086000  
1 1 1 11 19 24 o 57.40000 1.059000  -3.592000      2.118000  
1 1 1 11 19 26 o 29.40000 1.012000  -0.7046000     2.024000  
1 1 1 11 19 28 o 44.10000 1.075000  -0.3528000E-01 2.150000  
1 1 1 11 19 30 o 27.98000 3.085000  -2.937000      6.171000  
1 1 1 11 19 32 o 23.39000 4.306000  0.7912000      8.612000  
1 1 1 11 19 34 o 23.41000 3.548000  -10.78000      7.097000  
1 1 1 11 19 36 o 8.682000 4.333000  ?              ?         
1 1 1 11 19 38 o 22.50000 4.148000  -1.028000      8.296000  
1 1 1 11 19 40 o 32.04000 2.818000  -14.25000      5.637000  
1 1 1 11 19 42 o 22.31000 3.889000  -4.215000      7.777000  
1 1 1 11 19 44 o 19.09000 2.916000  -7.876000      5.832000  
1 1 1 11 20 1  o 88.76000 2.798000  1.115000       5.596000  
1 1 1 11 20 3  o 45.39000 1.879000  -0.2628000     3.759000  
1 1 1 11 20 5  o 7.757000 2.683000  -1.926000      5.365000  
1 1 1 11 20 7  o 68.09000 1.453000  0.1597000      2.906000  
1 1 1 11 20 9  o 74.13000 1.326000  1.662000       2.652000  
1 1 1 11 20 11 o 35.03000 1.237000  0.2685000      2.475000  
1 1 1 11 20 13 o 36.00000 1.111000  -2.576000      2.221000  
1 1 1 11 20 15 o 33.34000 1.222000  -4.217000      2.444000  
1 1 1 11 20 17 o 45.74000 1.519000  -0.5624000     3.037000  
1 1 1 11 20 19 o 28.14000 1.312000  -3.629000      2.625000  
1 1 1 11 20 21 o 15.73000 1.795000  0.3449000      3.590000  
1 1 1 11 20 23 o 37.26000 1.230000  -2.464000      2.461000  
1 1 1 11 20 25 o 52.24000 1.141000  0.1541000      2.281000  
1 1 1 11 20 27 o 15.37000 1.754000  -1.983000      3.508000  
1 1 1 11 20 29 o 40.59000 1.052000  -2.598000      2.104000  
1 1 1 11 20 31 o 31.47000 3.895000  -1.498000      7.791000  
1 1 1 11 20 33 o 13.84000 3.328000  -0.6370000     6.657000  
1 1 1 11 20 35 o 23.19000 3.986000  -2.792000      7.972000  
1 1 1 11 20 37 o 23.24000 4.009000  -2.880000      8.017000  
1 1 1 11 20 39 o 14.08000 3.557000  12.18000       7.115000  
1 1 1 11 20 41 o 14.30000 3.917000  7.436000       7.835000  
1 1 1 11 20 43 o 9.134000 3.143000  4.353000       6.286000  
1 1 1 11 21 0  o 33.60000 3.321000  0.000000       0.000000  
1 1 1 11 21 2  o 113.4000 1.874000  1.766000       3.748000  
1 1 1 11 21 4  o 72.11000 1.417000  6.375000       2.834000  
1 1 1 11 21 6  o 69.16000 1.832000  9.012000       3.663000  
1 1 1 11 21 8  o 14.20000 3.377000  -3.258000      6.754000  
1 1 1 11 21 10 o 92.22000 1.718000  3.579000       3.437000  
1 1 1 11 21 12 o 38.44000 1.287000  -2.666000      2.573000  
1 1 1 11 21 14 o 58.34000 1.353000  2.369000       2.706000  
1 1 1 11 21 16 o 67.07000 1.282000  -4.230000      2.564000  
1 1 1 11 21 18 o 49.21000 1.673000  0.8499000E-01  3.347000  
1 1 1 11 21 20 o 9.820000 2.547000  -4.001000      5.094000  
1 1 1 11 21 22 o 29.87000 1.503000  -1.562000      3.006000  
1 1 1 11 21 24 o 64.03000 1.253000  4.463000       2.505000  
1 1 1 11 21 26 o 43.34000 1.211000  5.409000       2.422000  
1 1 1 11 21 28 o 38.99000 1.154000  2.112000       2.309000  
1 1 1 11 21 30 o 20.89000 1.016000  0.1245000      2.032000  
1 1 1 11 21 32 o 13.15000 3.425000  0.1573000      6.850000  
1 1 1 11 21 34 o 57.93000 2.566000  1.897000       5.132000  
1 1 1 11 21 36 o 29.78000 4.179000  -11.77000      8.358000  
1 1 1 11 21 38 o 10.69000 3.233000  1.979000       6.467000  
1 1 1 11 21 40 o 27.92000 3.516000  -1.735000      7.031000  
1 1 1 11 21 42 o 22.27000 3.505000  -9.852000      7.010000  
1 1 1 11 21 44 o 17.41000 3.436000  ?              ?         
1 1 1 11 22 1  o 44.12000 1.384000  5.221000       2.767000  
1 1 1 11 22 3  o 51.30000 1.438000  -4.473000      2.876000  
1 1 1 11 22 5  o 17.67000 3.260000  -0.7772000     6.521000  
1 1 1 11 22 7  o 125.2000 2.245000  -6.412000      4.490000  
1 1 1 11 22 9  o 121.1000 1.790000  7.231000       3.580000  
1 1 1 11 22 11 f 71.21000 1.321000  0.3059000E-01  2.643000  
1 1 1 11 22 13 o 55.22000 1.292000  1.892000       2.585000  
1 1 1 11 22 15 o 47.51000 1.303000  2.931000       2.607000  
1 1 1 11 22 17 o 38.88000 1.498000  -1.925000      2.996000  
1 1 1 11 22 19 o 26.48000 3.748000  -5.363000      7.495000  
1 1 1 11 22 21 o 39.87000 2.853000  -0.5781000     5.706000  
1 1 1 11 22 23 o 21.94000 1.900000  -6.910000      3.800000  
1 1 1 11 22 25 o 40.49000 1.140000  0.2234000      2.279000  
1 1 1 11 22 27 o 49.26000 1.145000  -1.016000      2.289000  
1 1 1 11 22 29 o 26.74000 1.200000  -0.7660000E-01 2.399000  
1 1 1 11 22 31 o 26.21000 1.040000  -3.589000      2.080000  
1 1 1 11 22 35 o 42.10000 3.339000  -12.12000      6.677000  
1 1 1 11 22 37 o 14.20000 3.396000  0.6580000      6.792000  
1 1 1 11 22 39 o 30.83000 4.104000  -11.07000      8.209000  
1 1 1 11 22 41 o 20.34000 3.440000  -6.090000      6.880000  
1 1 1 11 22 43 o 13.17000 2.960000  -5.219000      5.920000  
1 1 1 11 23 0  o 46.66000 1.759000  0.000000       0.000000  
1 1 1 11 23 2  o 33.38000 1.641000  4.295000       3.283000  
1 1 1 11 23 4  o 60.96000 1.288000  5.664000       2.576000  
1 1 1 11 23 6  o 27.39000 1.746000  -1.306000      3.492000  
1 1 1 11 23 8  o 71.31000 1.448000  2.110000       2.895000  
1 1 1 11 23 10 o 62.19000 1.280000  -1.491000      2.559000  
1 1 1 11 23 12 o 122.5000 1.813000  -4.729000      3.627000  
1 1 1 11 23 14 o 30.29000 1.325000  -1.066000      2.650000  
1 1 1 11 23 16 f 11.76000 2.551000  -2.646000      5.101000  
1 1 1 11 23 18 o 38.43000 1.372000  -2.163000      2.743000  
1 1 1 11 23 20 o 40.69000 1.470000  -5.443000      2.939000  
1 1 1 11 23 22 o 55.06000 2.067000  -1.299000      4.133000  
1 1 1 11 23 24 o 19.72000 1.680000  0.7212000      3.359000  
1 1 1 11 23 26 f 25.44000 1.419000  2.595000       2.838000  
1 1 1 11 23 28 o 31.80000 1.215000  -1.357000      2.429000  
1 1 1 11 23 30 o 33.89000 1.282000  1.293000       2.564000  
1 1 1 11 23 32 o 32.40000 4.416000  -6.031000      8.832000  
1 1 1 11 23 34 o 20.56000 3.193000  -14.01000      6.386000  
1 1 1 11 23 36 o 21.66000 4.246000  0.5088000      8.493000  
1 1 1 11 23 38 o 17.44000 3.283000  -5.530000      6.565000  
1 1 1 11 23 40 o 11.62000 3.660000  7.774000       7.319000  
1 1 1 11 23 42 o 32.83000 1.469000  -2.115000      2.939000  
1 1 1 11 24 1  o 63.66000 1.448000  1.269000       2.897000  
1 1 1 11 24 3  o 54.77000 1.299000  -2.041000      2.599000  
1 1 1 11 24 5  o 41.49000 1.458000  0.8126000      2.915000  
1 1 1 11 24 7  o 22.92000 2.256000  -1.526000      4.513000  
1 1 1 11 24 9  o 49.33000 1.346000  -0.4525000     2.692000  
1 1 1 11 24 11 o 82.75000 1.418000  -1.239000      2.835000  
1 1 1 11 24 13 f 43.73000 1.409000  -3.766000      2.818000  
1 1 1 11 24 15 o 30.35000 1.816000  -0.4619000     3.632000  
1 1 1 11 24 17 o 44.76000 1.490000  1.117000       2.980000  
1 1 1 11 24 19 o 43.29000 1.390000  0.8262000      2.779000  
1 1 1 11 24 21 o 76.39000 1.454000  -0.5229000     2.907000  
1 1 1 11 24 23 o 48.73000 4.412000  -14.29000      8.825000  
1 1 1 11 24 25 o 30.94000 1.453000  -0.8695000     2.907000  
1 1 1 11 24 27 o 36.13000 1.277000  1.417000       2.554000  
1 1 1 11 24 29 o 23.37000 1.571000  -2.344000      3.141000  
1 1 1 11 24 31 o 14.06000 2.519000  -3.624000      5.038000  
1 1 1 11 24 33 f 28.43000 3.747000  -5.424000      7.494000  
1 1 1 11 24 35 o 21.84000 4.559000  3.154000       9.119000  
1 1 1 11 24 37 o 16.94000 2.828000  -10.81000      5.657000  
1 1 1 11 24 39 o 31.93000 3.969000  -8.528000      7.939000  
1 1 1 11 24 41 o 25.16000 2.703000  -7.829000      5.406000  
1 1 1 11 25 0  o 77.30000 1.981000  0.000000       0.000000  
1 1 1 11 25 2  o 91.81000 1.659000  -1.362000      3.318000  
1 1 1 11 25 4  o 33.59000 1.581000  1.188000       3.162000  
1 1 1 11 25 6  o 40.90000 1.299000  -0.2187000     2.597000  
1 1 1 11 25 8  o 19.32000 2.224000  -3.952000      4.449000  
1 1 1 11 25 10 o 58.24000 1.225000  2.247000       2.451000  
1 1 1 11 25 12 o 66.64000 1.593000  -0.7176000     3.186000  
1 1 1 11 25 14 o 54.66000 1.227000  -0.8544000     2.455000  
1 1 1 11 25 16 o 76.33000 1.302000  1.122000       2.605000  
1 1 1 11 25 18 o 57.87000 1.236000  -1.796000      2.472000  
1 1 1 11 25 20 o 9.812000 2.812000  5.579000       5.623000  
1 1 1 11 25 22 o 53.19000 1.346000  -4.365000      2.692000  
1 1 1 11 25 24 o 15.70000 4.218000  6.464000       8.436000  
1 1 1 11 25 26 o 11.17000 2.566000  -0.4022000     5.131000  
1 1 1 11 25 28 o 18.11000 2.165000  -0.7010000     4.330000  
1 1 1 11 25 30 o 9.764000 2.988000  1.029000       5.976000  
1 1 1 11 25 32 o 12.62000 3.424000  5.107000       6.848000  
1 1 1 11 25 34 o 18.39000 4.977000  8.275000       9.955000  
1 1 1 11 25 36 o 45.59000 4.676000  -6.220000      9.353000  
1 1 1 11 25 38 o 19.06000 4.045000  -1.759000      8.090000  
1 1 1 11 25 40 o 25.49000 3.816000  -16.52000      7.633000  
1 1 1 11 26 1  o 41.86000 1.795000  1.188000       3.590000  
1 1 1 11 26 3  f 38.36000 1.445000  -0.4308000     2.890000  
1 1 1 11 26 5  o 12.76000 3.147000  -0.8685000     6.293000  
1 1 1 11 26 7  o 90.22000 1.403000  -1.283000      2.807000  
1 1 1 11 26 9  f 30.89000 1.630000  -1.463000      3.261000  
1 1 1 11 26 11 o 45.91000 1.661000  -1.315000      3.323000  
1 1 1 11 26 13 o 69.22000 1.274000  -2.375000      2.547000  
1 1 1 11 26 15 o 40.72000 1.395000  -1.900000      2.789000  
1 1 1 11 26 17 o 40.54000 1.302000  0.9820000      2.604000  
1 1 1 11 26 19 o 33.08000 1.571000  1.503000       3.142000  
1 1 1 11 26 21 o 47.75000 1.452000  4.216000       2.903000  
1 1 1 11 26 23 o 10.39000 2.716000  2.559000       5.431000  
1 1 1 11 26 25 o 42.10000 3.071000  -13.48000      6.143000  
1 1 1 11 26 27 o 36.66000 1.505000  -1.089000      3.010000  
1 1 1 11 26 29 o 10.64000 2.964000  0.4450000      5.927000  
1 1 1 11 26 31 o 9.309000 2.764000  8.173000       5.527000  
1 1 1 11 26 33 o 20.90000 1.755000  -6.719000      3.510000  
1 1 1 11 26 35 o 16.66000 3.144000  -6.903000      6.287000  
1 1 1 11 26 37 o 15.77000 3.936000  1.316000       7.871000  
1 1 1 11 26 39 o 14.15000 3.353000  -2.149000      6.706000  
1 1 1 11 27 0  o 20.16000 4.851000  0.000000       0.000000  
1 1 1 11 27 2  o 44.86000 1.643000  0.2958000      3.285000  
1 1 1 11 27 4  o 26.27000 2.161000  -0.2259000     4.322000  
1 1 1 11 27 6  f 37.56000 1.565000  1.548000       3.130000  
1 1 1 11 27 8  o 30.31000 1.735000  -1.765000      3.469000  
1 1 1 11 27 10 f 30.41000 1.614000  -0.2817000     3.227000  
1 1 1 11 27 12 o 38.59000 1.433000  0.2308000      2.866000  
1 1 1 11 27 14 o 56.23000 1.404000  -0.5307000     2.809000  
1 1 1 11 27 16 o 41.44000 1.516000  -3.375000      3.031000  
1 1 1 11 27 18 o 22.17000 2.301000  -3.267000      4.601000  
1 1 1 11 27 20 o 56.18000 1.318000  -0.5275000E-01 2.636000  
1 1 1 11 27 22 o 27.95000 2.007000  -0.4578000E-04 4.014000  
1 1 1 11 27 24 o 47.42000 1.466000  -5.612000      2.932000  
1 1 1 11 27 26 o 8.992000 2.696000  2.439000       5.392000  
1 1 1 11 27 28 o 17.46000 3.597000  6.224000       7.194000  
1 1 1 11 27 30 o 7.636000 2.705000  6.003000       5.410000  
1 1 1 11 27 32 o 40.29000 1.465000  -3.675000      2.930000  
1 1 1 11 27 34 o 17.42000 1.919000  -1.481000      3.839000  
1 1 1 11 27 36 o 22.86000 4.150000  -7.942000      8.300000  
1 1 1 11 27 38 o 10.98000 3.549000  8.006000       7.097000  
1 1 1 11 28 1  o 60.17000 1.339000  -1.485000      2.677000  
1 1 1 11 28 3  o 50.28000 1.567000  1.425000       3.133000  
1 1 1 11 28 5  o 10.15000 3.011000  -2.129000      6.021000  
1 1 1 11 28 7  o 25.73000 2.208000  3.502000       4.415000  
1 1 1 11 28 9  o 72.52000 1.296000  1.243000       2.592000  
1 1 1 11 28 11 o 65.00000 1.297000  -1.446000      2.593000  
1 1 1 11 28 13 o 21.61000 2.515000  -7.137000      5.030000  
1 1 1 11 28 15 o 18.65000 2.748000  4.347000       5.496000  
1 1 1 11 28 17 o 13.65000 3.146000  -1.695000      6.293000  
1 1 1 11 28 19 o 14.58000 3.027000  -2.753000      6.054000  
1 1 1 11 28 21 o 12.30000 3.536000  -0.3769000     7.072000  
1 1 1 11 28 23 o 14.30000 2.837000  -0.9953000     5.674000  
1 1 1 11 28 25 o 27.22000 2.336000  -1.421000      4.672000  
1 1 1 11 28 27 o 62.16000 1.815000  -4.205000      3.629000  
1 1 1 11 28 29 o 8.516000 3.042000  8.107000       6.084000  
1 1 1 11 28 31 o 20.45000 2.584000  -4.136000      5.168000  
1 1 1 11 28 33 f 20.86000 1.968000  -0.7479000     3.935000  
1 1 1 11 28 35 o 28.33000 1.523000  -0.3701000     3.047000  
1 1 1 11 28 37 o 20.97000 3.080000  -14.21000      6.159000  
1 1 1 11 28 39 o 15.41000 3.417000  -1.397000      6.833000  
1 1 1 11 29 0  o 12.28000 4.563000  0.000000       0.000000  
1 1 1 11 29 2  o 33.58000 1.847000  0.3877000      3.693000  
1 1 1 11 29 4  o 30.67000 1.860000  0.7173000      3.720000  
1 1 1 11 29 6  o 32.46000 2.008000  -2.895000      4.017000  
1 1 1 11 29 8  o 41.68000 1.498000  -0.5524000     2.995000  
1 1 1 11 29 10 o 28.19000 3.054000  2.470000       6.107000  
1 1 1 11 29 12 o 8.243000 2.620000  2.153000       5.240000  
1 1 1 11 29 14 o 42.85000 1.470000  -0.2451000     2.939000  
1 1 1 11 29 16 o 11.86000 3.053000  -1.772000      6.106000  
1 1 1 11 29 18 o 37.09000 1.543000  0.3676000E-01  3.086000  
1 1 1 11 29 20 o 79.98000 1.460000  4.195000       2.920000  
1 1 1 11 29 22 o 60.44000 2.043000  -1.921000      4.086000  
1 1 1 11 29 24 o 9.551000 2.831000  1.382000       5.662000  
1 1 1 11 29 26 o 87.20000 2.118000  -7.275000      4.235000  
1 1 1 11 29 28 o 7.094000 2.544000  5.882000       5.089000  
1 1 1 11 29 30 o 22.54000 4.612000  2.077000       9.225000  
1 1 1 11 29 32 o 39.12000 2.686000  4.617000       5.373000  
1 1 1 11 29 34 o 26.56000 2.050000  -1.705000      4.100000  
1 1 1 11 29 36 o 7.275000 2.125000  1.233000       4.249000  
1 1 1 11 29 38 o 8.867000 3.058000  6.176000       6.116000  
1 1 1 11 30 1  o 25.33000 2.352000  -0.9896000     4.704000  
1 1 1 11 30 3  o 32.97000 1.871000  0.3792000      3.741000  
1 1 1 11 30 5  o 42.60000 1.450000  -2.860000      2.901000  
1 1 1 11 30 7  o 30.97000 2.282000  -8.163000      4.564000  
1 1 1 11 30 9  o 9.300000 3.061000  -0.3164000     6.121000  
1 1 1 11 30 11 o 63.11000 1.441000  -0.3427000     2.882000  
1 1 1 11 30 13 f 47.39000 1.658000  -0.5045000     3.316000  
1 1 1 11 30 15 o 22.47000 2.442000  -0.7547000E-01 4.884000  
1 1 1 11 30 17 o 65.48000 1.455000  3.365000       2.910000  
1 1 1 11 30 19 o 54.50000 1.820000  3.586000       3.640000  
1 1 1 11 30 21 f 22.47000 2.804000  4.651000       5.609000  
1 1 1 11 30 23 o 11.16000 3.571000  6.628000       7.142000  
1 1 1 11 30 25 o 57.63000 1.966000  1.831000       3.932000  
1 1 1 11 30 27 o 9.689000 2.930000  3.572000       5.861000  
1 1 1 11 30 29 o 27.28000 2.468000  -4.947000      4.937000  
1 1 1 11 30 31 o 31.16000 4.197000  12.88000       8.394000  
1 1 1 11 30 33 o 21.35000 2.478000  -3.529000      4.955000  
1 1 1 11 30 35 o 14.33000 2.886000  -2.744000      5.772000  
1 1 1 11 30 37 o 11.84000 3.181000  0.2864000      6.362000  
1 1 1 11 31 0  o 51.63000 2.080000  0.000000       0.000000  
1 1 1 11 31 2  o 32.86000 2.510000  3.444000       5.020000  
1 1 1 11 31 4  o 21.75000 3.161000  0.8106000      6.321000  
1 1 1 11 31 6  o 44.41000 1.576000  0.2523000      3.152000  
1 1 1 11 31 8  o 11.79000 3.314000  -1.370000      6.628000  
1 1 1 11 31 10 o 35.82000 2.525000  1.384000       5.050000  
1 1 1 11 31 12 o 50.10000 1.999000  2.369000       3.997000  
1 1 1 11 31 14 o 42.27000 1.998000  -5.591000      3.995000  
1 1 1 11 31 16 o 32.64000 2.129000  2.688000       4.258000  
1 1 1 11 31 18 o 13.87000 3.435000  0.3918000      6.869000  
1 1 1 11 31 20 o 30.10000 2.381000  4.510000       4.761000  
1 1 1 11 31 22 o 14.68000 7.320000  ?              ?         
1 1 1 11 31 24 o 11.38000 3.345000  4.299000       6.691000  
1 1 1 11 31 26 o 40.31000 2.489000  3.704000       4.978000  
1 1 1 11 31 28 f 10.38000 3.266000  5.925000       6.532000  
1 1 1 11 31 30 o 13.19000 3.000000  0.8256000      5.999000  
1 1 1 11 31 32 o 11.92000 3.668000  5.462000       7.337000  
1 1 1 11 31 34 o 7.534000 2.517000  2.924000       5.034000  
1 1 1 11 31 36 o 16.59000 2.777000  ?              ?         
1 1 1 11 32 1  o 31.55000 1.980000  0.7482000      3.960000  
1 1 1 11 32 3  o 39.44000 1.799000  -2.196000      3.598000  
1 1 1 11 32 5  o 42.63000 1.729000  -0.4995000     3.458000  
1 1 1 11 32 7  o 32.95000 1.966000  -0.2456000     3.932000  
1 1 1 11 32 9  o 33.68000 2.497000  1.801000       4.994000  
1 1 1 11 32 11 o 47.61000 1.707000  -3.568000      3.414000  
1 1 1 11 32 13 o 59.27000 1.648000  -3.814000      3.296000  
1 1 1 11 32 15 o 43.55000 1.746000  0.8296000      3.491000  
1 1 1 11 32 17 o 26.50000 3.028000  -0.7061000     6.057000  
1 1 1 11 32 19 o 65.65000 1.844000  6.151000       3.689000  
1 1 1 11 32 21 o 49.31000 2.337000  5.051000       4.674000  
1 1 1 11 32 23 o 7.194000 3.605000  ?              ?         
1 1 1 11 32 25 o 29.00000 2.888000  -4.355000      5.777000  
1 1 1 11 32 27 o 14.79000 3.455000  2.773000       6.909000  
1 1 1 11 32 29 o 12.07000 3.336000  7.382000       6.673000  
1 1 1 11 32 31 o 11.62000 2.979000  -0.2502000E-01 5.959000  
1 1 1 11 32 33 o 15.20000 4.235000  9.305000       8.471000  
1 1 1 11 32 35 o 7.942000 3.548000  ?              ?         
1 1 1 11 33 0  o 34.39000 2.773000  0.000000       0.000000  
1 1 1 11 33 2  o 38.59000 1.792000  -1.111000      3.583000  
1 1 1 11 33 4  o 28.93000 2.501000  -0.2197000     5.002000  
1 1 1 11 33 6  f 25.18000 2.614000  0.1589000      5.227000  
1 1 1 11 33 8  o 17.56000 3.510000  13.75000       7.021000  
1 1 1 11 33 10 o 13.75000 3.555000  -0.5893000E-02 7.109000  
1 1 1 11 33 12 o 12.40000 3.439000  -1.769000      6.878000  
1 1 1 11 33 14 o 19.51000 3.997000  -0.7534000     7.993000  
1 1 1 11 33 16 f 11.41000 3.254000  1.688000       6.508000  
1 1 1 11 33 18 o 10.21000 4.766000  ?              ?         
1 1 1 11 33 20 o 69.58000 1.886000  -4.594000      3.771000  
1 1 1 11 33 22 o 11.54000 4.313000  ?              ?         
1 1 1 11 33 24 o 17.91000 3.578000  -0.4044000E-01 7.155000  
1 1 1 11 33 26 o 50.16000 1.702000  -5.383000      3.403000  
1 1 1 11 33 28 o 27.22000 2.627000  -2.975000      5.253000  
1 1 1 11 33 30 o 12.06000 3.131000  0.6394000      6.261000  
1 1 1 11 33 32 o 20.49000 3.310000  7.177000       6.621000  
1 1 1 11 33 34 o 4.793000 2.260000  ?              ?         
1 1 1 11 34 1  o 37.44000 1.921000  3.126000       3.842000  
1 1 1 11 34 3  o 14.62000 3.829000  -0.5856000     7.658000  
1 1 1 11 34 5  o 15.41000 3.792000  -3.656000      7.585000  
1 1 1 11 34 7  o 12.97000 3.775000  1.235000       7.550000  
1 1 1 11 34 9  o 64.64000 1.674000  1.946000       3.347000  
1 1 1 11 34 11 o 42.60000 2.052000  2.105000       4.104000  
1 1 1 11 34 13 o 28.46000 3.598000  0.8870000      7.197000  
1 1 1 11 34 15 o 8.509000 2.816000  2.635000       5.632000  
1 1 1 11 34 17 o 23.67000 3.634000  -4.314000      7.268000  
1 1 1 11 34 19 o 8.498000 2.849000  2.787000       5.698000  
1 1 1 11 34 21 o 8.341000 2.500000  3.684000       4.999000  
1 1 1 11 34 23 o 18.33000 3.594000  -2.213000      7.188000  
1 1 1 11 34 25 o 23.64000 2.924000  6.827000       5.847000  
1 1 1 11 34 27 o 23.70000 3.068000  -1.468000      6.136000  
1 1 1 11 34 29 o 20.48000 3.692000  -5.836000      7.384000  
1 1 1 11 34 31 o 12.14000 3.059000  0.8525000      6.118000  
1 1 1 11 34 33 o 6.923000 2.909000  ?              ?         
1 1 1 11 35 0  o 45.26000 3.193000  0.000000       0.000000  
1 1 1 11 35 2  o 36.35000 2.761000  -2.605000      5.523000  
1 1 1 11 35 4  o 13.28000 3.873000  1.465000       7.746000  
1 1 1 11 35 6  o 39.84000 2.119000  2.043000       4.237000  
1 1 1 11 35 8  o 12.32000 3.475000  2.595000       6.949000  
1 1 1 11 35 10 o 24.24000 2.928000  6.988000       5.857000  
1 1 1 11 35 12 o 40.13000 2.788000  -1.492000      5.575000  
1 1 1 11 35 16 o 31.40000 2.498000  -4.731000      4.996000  
1 1 1 11 35 18 o 6.748000 3.304000  ?              ?         
1 1 1 11 35 20 o 18.12000 3.822000  0.4735000      7.644000  
1 1 1 11 35 22 o 13.72000 3.644000  -0.5791000     7.289000  
1 1 1 11 35 24 o 18.53000 3.131000  -0.6240000E-01 6.261000  
1 1 1 11 35 26 o 13.22000 3.777000  3.616000       7.553000  
1 1 1 11 35 28 o 9.111000 2.688000  0.8838000      5.376000  
1 1 1 11 35 30 o 10.39000 2.845000  -3.161000      5.690000  
1 1 1 11 35 32 o 9.395000 4.065000  ?              ?         
1 1 1 11 36 1  f 20.09000 3.856000  -3.336000      7.712000  
1 1 1 11 36 3  o 19.90000 4.472000  4.386000       8.943000  
1 1 1 11 36 5  o 13.15000 3.892000  2.498000       7.784000  
1 1 1 11 36 7  o 12.53000 3.704000  6.276000       7.408000  
1 1 1 11 36 9  o 12.11000 3.184000  7.928000       6.368000  
1 1 1 11 36 11 o 9.672000 3.356000  -2.719000      6.712000  
1 1 1 11 36 13 o 48.21000 1.952000  -2.103000      3.904000  
1 1 1 11 36 15 o 6.507000 3.203000  ?              ?         
1 1 1 11 36 17 o 12.56000 3.743000  0.6338000      7.486000  
1 1 1 11 36 19 o 25.84000 3.493000  3.196000       6.987000  
1 1 1 11 36 21 o 34.39000 2.161000  3.665000       4.322000  
1 1 1 11 36 23 o 19.48000 3.186000  7.350000       6.372000  
1 1 1 11 36 25 o 11.71000 3.289000  -1.792000      6.578000  
1 1 1 11 36 27 o 6.938000 2.322000  2.361000       4.645000  
1 1 1 11 36 29 o 11.85000 2.904000  5.903000       5.808000  
1 1 1 11 37 0  o 8.122000 4.010000  0.000000       0.000000  
1 1 1 11 37 2  o 39.03000 2.918000  6.382000       5.837000  
1 1 1 11 37 8  o 70.44000 2.192000  -6.037000      4.385000  
1 1 1 11 37 10 o 13.02000 3.460000  -4.185000      6.920000  
1 1 1 11 37 12 o 13.64000 3.170000  10.03000       6.341000  
1 1 1 11 37 14 o 22.39000 2.416000  9.980000       4.832000  
1 1 1 11 37 16 o 15.80000 3.981000  -1.026000      7.963000  
1 1 1 11 37 18 o 27.32000 3.195000  3.262000       6.391000  
1 1 1 11 37 20 o 21.61000 3.368000  5.643000       6.737000  
1 1 1 11 37 22 o 12.72000 3.593000  2.502000       7.186000  
1 1 1 11 37 24 o 15.45000 3.654000  -0.9688000     7.308000  
1 1 1 11 37 26 o 6.561000 2.256000  0.5785000      4.512000  
1 1 1 11 37 28 o 35.98000 2.142000  -3.610000      4.285000  
1 1 1 11 38 1  o 32.15000 2.715000  6.435000       5.430000  
1 1 1 11 38 3  o 26.64000 3.163000  4.817000       6.326000  
1 1 1 11 38 5  o 10.91000 3.244000  -7.706000      6.488000  
1 1 1 11 38 7  o 5.753000 2.881000  ?              ?         
1 1 1 11 38 9  o 6.991000 2.383000  0.6736000      4.765000  
1 1 1 11 38 11 o 14.85000 4.267000  0.5230000      8.535000  
1 1 1 11 38 13 o 13.78000 4.098000  -2.796000      8.195000  
1 1 1 11 38 15 o 18.55000 4.645000  2.407000       9.289000  
1 1 1 11 38 17 o 23.30000 4.104000  13.23000       8.208000  
1 1 1 11 38 19 o 27.43000 3.426000  3.514000       6.852000  
1 1 1 11 38 21 o 23.90000 4.245000  -2.130000      8.490000  
1 1 1 11 38 23 o 16.10000 3.330000  2.991000       6.659000  
1 1 1 11 38 25 o 7.365000 2.571000  3.583000       5.141000  
1 1 1 11 38 27 o 14.81000 3.439000  6.758000       6.877000  
1 1 1 11 39 0  o 8.156000 3.596000  0.000000       0.000000  
1 1 1 11 39 2  o 6.746000 2.288000  -0.1152000     4.576000  
1 1 1 11 39 4  o 6.498000 2.199000  2.128000       4.398000  
1 1 1 11 39 6  o 20.62000 4.938000  3.496000       9.877000  
1 1 1 11 39 8  f 39.06000 2.892000  -2.091000      5.784000  
1 1 1 11 39 10 o 17.59000 4.315000  1.273000       8.629000  
1 1 1 11 39 12 o 25.19000 3.895000  3.423000       7.789000  
1 1 1 11 39 14 o 13.18000 3.865000  -7.040000      7.730000  
1 1 1 11 39 16 o 24.22000 4.923000  2.039000       9.846000  
1 1 1 11 39 18 o 17.55000 4.170000  0.3591000      8.341000  
1 1 1 11 39 20 o 11.07000 3.360000  -3.307000      6.720000  
1 1 1 11 39 22 o 6.721000 2.290000  -0.3987000E-01 4.579000  
1 1 1 11 39 24 o 9.497000 2.530000  8.405000       5.061000  
1 1 1 11 39 26 o 11.58000 4.039000  ?              ?         
1 1 1 11 40 1  o 44.86000 3.016000  3.882000       6.033000  
1 1 1 11 40 3  o 36.08000 3.115000  1.193000       6.230000  
1 1 1 11 40 5  o 39.50000 2.824000  6.889000       5.649000  
1 1 1 11 40 7  o 41.38000 3.048000  -2.123000      6.097000  
1 1 1 11 40 9  o 23.98000 3.770000  -0.8681000     7.541000  
1 1 1 11 40 11 f 12.56000 3.963000  -2.529000      7.925000  
1 1 1 11 40 13 o 23.70000 3.628000  6.109000       7.256000  
1 1 1 11 40 15 o 33.27000 2.491000  1.089000       4.981000  
1 1 1 11 40 17 o 24.75000 3.419000  1.205000       6.838000  
1 1 1 11 40 19 o 10.43000 3.064000  -0.6626000     6.128000  
1 1 1 11 40 21 o 15.88000 3.270000  11.70000       6.540000  
1 1 1 11 40 23 o 23.81000 2.905000  -1.477000      5.811000  
1 1 1 11 41 0  o 15.40000 5.888000  0.000000       0.000000  
1 1 1 11 41 2  o 17.48000 4.470000  0.9725000      8.940000  
1 1 1 11 41 4  o 15.29000 4.013000  1.640000       8.027000  
1 1 1 11 41 6  o 35.47000 3.690000  4.910000       7.381000  
1 1 1 11 41 8  o 21.05000 4.250000  1.331000       8.499000  
1 1 1 11 41 10 o 11.83000 3.644000  -3.533000      7.289000  
1 1 1 11 41 12 o 17.17000 4.068000  -1.036000      8.136000  
1 1 1 11 41 14 o 13.92000 3.798000  0.8196000      7.597000  
1 1 1 11 41 16 o 11.22000 2.826000  1.295000       5.653000  
1 1 1 11 41 18 o 7.943000 2.446000  3.868000       4.892000  
1 1 1 11 41 20 o 12.10000 2.560000  -6.552000      5.121000  
1 1 1 11 41 22 o 9.980000 3.122000  5.898000       6.244000  
1 1 1 11 42 1  o 11.57000 3.685000  0.1835000      7.370000  
1 1 1 11 42 3  o 17.04000 4.402000  -3.477000      8.803000  
1 1 1 11 42 5  o 32.73000 3.135000  -0.6802000     6.270000  
1 1 1 11 42 7  o 16.30000 4.231000  -6.126000      8.462000  
1 1 1 11 42 9  f 14.62000 4.142000  -5.266000      8.283000  
1 1 1 11 42 11 o 12.54000 3.816000  -2.151000      7.631000  
1 1 1 11 42 13 o 8.071000 2.592000  -0.2580000     5.184000  
1 1 1 11 42 15 o 7.456000 2.457000  -0.6300000     4.913000  
1 1 1 11 42 17 o 8.409000 2.505000  3.845000       5.011000  
1 1 1 11 42 19 o 13.19000 3.308000  1.246000       6.615000  
1 1 1 11 43 0  o 13.26000 5.595000  0.000000       0.000000  
1 1 1 11 43 2  o 17.71000 4.497000  2.804000       8.994000  
1 1 1 11 43 4  o 13.60000 3.966000  -2.764000      7.932000  
1 1 1 11 43 6  o 15.32000 4.126000  0.8553000      8.251000  
1 1 1 11 43 8  o 8.864000 2.772000  -0.2108000     5.544000  
1 1 1 11 43 10 o 9.223000 2.815000  1.761000       5.630000  
1 1 1 11 43 12 o 8.993000 2.793000  2.280000       5.587000  
1 1 1 11 43 14 o 8.907000 2.667000  -0.1315000     5.334000  
1 1 1 11 43 16 o 22.33000 3.302000  -2.900000      6.605000  
1 1 1 11 44 1  o 7.446000 2.482000  -0.6345000     4.965000  
1 1 1 11 44 3  o 6.964000 2.361000  -0.3448000     4.723000  
1 1 1 11 44 5  o 7.930000 2.585000  1.848000       5.171000  
1 1 1 11 44 7  o 6.987000 2.399000  0.5368000E-01  4.799000  
1 1 1 11 44 9  o 7.491000 2.602000  1.308000       5.203000  
1 1 1 11 44 11 o 28.89000 1.618000  -1.567000      3.235000  
1 1 1 11 44 13 o 8.545000 2.854000  2.925000       5.708000  
1 1 1 11 45 0  o 7.068000 3.225000  0.000000       0.000000  
1 1 1 11 45 2  o 10.89000 2.679000  -3.305000      5.359000  
1 1 1 11 45 4  o 31.23000 1.420000  -1.189000      2.841000  
1 1 1 11 45 6  o 42.23000 1.530000  -1.210000      3.061000  
1 1 1 11 45 8  o 27.63000 2.754000  -4.005000      5.509000  
1 1 1 11 45 10 o 9.546000 2.808000  -1.232000      5.616000  
1 1 1 12 0  0  o 23.82000 0.9874000 0.000000       0.000000  
1 1 1 12 0  2  o 59.52000 1.120000  0.000000       0.000000  
1 1 1 12 0  4  o 30.67000 0.8412000 0.000000       0.000000  
1 1 1 12 0  6  o 33.57000 0.8652000 0.000000       0.000000  
1 1 1 12 0  8  o 68.46000 1.476000  0.000000       0.000000  
1 1 1 12 0  10 o 126.7000 2.296000  0.000000       0.000000  
1 1 1 12 0  12 o 111.2000 2.346000  0.000000       0.000000  
1 1 1 12 0  14 o 107.9000 2.282000  0.000000       0.000000  
1 1 1 12 0  16 o 49.09000 1.471000  0.000000       0.000000  
1 1 1 12 0  18 o 51.06000 1.324000  0.000000       0.000000  
1 1 1 12 0  20 o 38.13000 1.735000  0.000000       0.000000  
1 1 1 12 0  22 f 30.21000 1.542000  0.000000       0.000000  
1 1 1 12 0  24 o 12.73000 5.349000  0.000000       0.000000  
1 1 1 12 0  26 o 6.882000 2.889000  0.000000       0.000000  
1 1 1 12 0  28 o 105.9000 2.874000  0.000000       0.000000  
1 1 1 12 0  30 o 47.81000 1.926000  0.000000       0.000000  
1 1 1 12 0  34 o 7.022000 2.974000  0.000000       0.000000  
1 1 1 12 0  36 o 24.99000 1.876000  0.000000       0.000000  
1 1 1 12 0  38 o 10.38000 3.025000  0.000000       0.000000  
1 1 1 12 0  40 o 84.35000 2.767000  0.000000       0.000000  
1 1 1 12 0  42 o 28.89000 1.978000  0.000000       0.000000  
1 1 1 12 0  44 o 8.433000 3.078000  0.000000       0.000000  
1 1 1 12 0  46 o 17.25000 2.127000  0.000000       0.000000  
1 1 1 12 0  48 f 14.92000 5.290000  0.000000       0.000000  
1 1 1 12 1  1  f 74.03000 0.9660000 -0.3154000     1.932000  
1 1 1 12 1  3  o 55.91000 0.8118000 0.2261000      1.624000  
1 1 1 12 1  5  o 100.4000 1.493000  -1.634000      2.986000  
1 1 1 12 1  7  o 74.41000 1.125000  -1.171000      2.250000  
1 1 1 12 1  9  o 90.19000 1.260000  -0.3827000     2.521000  
1 1 1 12 1  11 o 173.4000 2.859000  -0.4793000E-01 5.717000  
1 1 1 12 1  13 o 168.0000 2.784000  3.395000       5.567000  
1 1 1 12 1  15 o 69.44000 0.9991000 -0.2967000     1.998000  
1 1 1 12 1  17 o 41.71000 0.8316000 -4.748000      1.663000  
1 1 1 12 1  19 o 44.89000 0.9413000 -2.124000      1.883000  
1 1 1 12 1  21 o 82.12000 2.021000  -6.696000      4.043000  
1 1 1 12 1  23 o 5.093000 1.616000  2.072000       3.231000  
1 1 1 12 1  25 o 19.60000 1.030000  0.2911000      2.059000  
1 1 1 12 1  27 o 19.37000 1.053000  2.762000       2.106000  
1 1 1 12 1  29 o 73.55000 1.304000  0.1559000      2.609000  
1 1 1 12 1  31 o 50.79000 1.238000  3.102000       2.476000  
1 1 1 12 1  33 o 60.43000 1.120000  -1.445000      2.240000  
1 1 1 12 1  35 o 57.88000 1.127000  -0.6050000     2.253000  
1 1 1 12 1  37 o 90.66000 1.927000  1.557000       3.853000  
1 1 1 12 1  39 o 26.14000 1.615000  3.186000       3.230000  
1 1 1 12 1  41 o 7.237000 2.372000  0.9593000      4.745000  
1 1 1 12 1  43 o 23.35000 1.550000  0.6613000      3.100000  
1 1 1 12 1  45 o 7.146000 2.224000  0.7343000E-01  4.448000  
1 1 1 12 1  47 o 7.677000 2.325000  0.7960000      4.651000  
1 1 1 12 2  0  o 6.451000 1.664000  0.000000       0.000000  
1 1 1 12 2  2  o 61.49000 0.8161000 1.014000       1.632000  
1 1 1 12 2  4  o 99.94000 1.389000  -1.418000      2.777000  
1 1 1 12 2  6  o 97.94000 1.363000  -0.3597000     2.726000  
1 1 1 12 2  8  o 32.65000 0.5630000 1.705000       1.126000  
1 1 1 12 2  10 o 64.92000 1.070000  -2.539000      2.141000  
1 1 1 12 2  12 o 114.8000 1.908000  0.5596000      3.817000  
1 1 1 12 2  14 o 95.23000 1.336000  -0.3746000     2.671000  
1 1 1 12 2  16 o 29.71000 0.7716000 -0.1831000     1.543000  
1 1 1 12 2  18 o 93.45000 1.513000  -0.7089000     3.026000  
1 1 1 12 2  20 o 111.3000 1.748000  1.709000       3.496000  
1 1 1 12 2  22 o 24.75000 1.007000  1.504000       2.014000  
1 1 1 12 2  24 o 68.51000 1.150000  5.269000       2.301000  
1 1 1 12 2  26 o 79.72000 1.679000  -0.5754000     3.358000  
1 1 1 12 2  28 o 29.82000 1.007000  0.1448000      2.014000  
1 1 1 12 2  30 f 36.89000 0.9196000 -0.1297000     1.839000  
1 1 1 12 2  32 o 77.15000 1.206000  2.168000       2.411000  
1 1 1 12 2  34 o 15.08000 1.426000  0.9524000      2.853000  
1 1 1 12 2  36 o 27.53000 0.9090000 -0.8032000     1.818000  
1 1 1 12 2  38 f 18.44000 1.348000  3.215000       2.696000  
1 1 1 12 2  40 o 32.79000 1.553000  2.874000       3.106000  
1 1 1 12 2  42 o 9.577000 2.271000  2.490000       4.542000  
1 1 1 12 2  44 o 23.81000 1.655000  1.807000       3.309000  
1 1 1 12 2  46 o 28.21000 1.015000  -2.820000      2.030000  
1 1 1 12 2  48 o 23.79000 2.220000  5.262000       4.439000  
1 1 1 12 3  1  o 47.06000 0.6544000 -0.6088000     1.309000  
1 1 1 12 3  3  o 27.92000 0.5402000 0.6956000E-01  1.080000  
1 1 1 12 3  5  o 37.67000 0.6138000 0.2941000E-01  1.228000  
1 1 1 12 3  7  o 45.30000 0.6652000 -0.4738000     1.330000  
1 1 1 12 3  9  o 13.33000 0.8703000 -0.4236000     1.741000  
1 1 1 12 3  11 o 152.1000 2.386000  -0.5654000     4.771000  
1 1 1 12 3  13 o 116.3000 1.621000  -0.8547000     3.242000  
1 1 1 12 3  15 o 87.31000 1.357000  -0.2384000     2.713000  
1 1 1 12 3  17 o 58.75000 0.9797000 -1.527000      1.959000  
1 1 1 12 3  19 o 51.04000 0.9661000 0.3711000      1.932000  
1 1 1 12 3  21 o 24.63000 1.140000  -0.6502000     2.281000  
1 1 1 12 3  23 o 29.56000 1.438000  0.4853000      2.876000  
1 1 1 12 3  25 o 40.07000 0.8141000 -1.159000      1.628000  
1 1 1 12 3  27 o 68.20000 1.231000  1.824000       2.462000  
1 1 1 12 3  29 o 25.52000 0.9328000 3.860000       1.866000  
1 1 1 12 3  31 o 34.49000 0.9450000 -2.685000      1.890000  
1 1 1 12 3  33 o 17.34000 2.834000  3.177000       5.667000  
1 1 1 12 3  35 o 19.98000 3.005000  6.966000       6.010000  
1 1 1 12 3  37 o 24.69000 1.053000  0.9720000      2.106000  
1 1 1 12 3  39 o 43.70000 1.409000  -2.549000      2.818000  
1 1 1 12 3  41 o 17.64000 2.696000  -11.67000      5.392000  
1 1 1 12 3  43 f 57.43000 1.128000  0.3715000      2.256000  
1 1 1 12 3  45 o 24.41000 1.198000  4.197000       2.395000  
1 1 1 12 3  47 f 20.27000 1.479000  3.891000       2.958000  
1 1 1 12 4  0  o 129.5000 2.344000  0.000000       0.000000  
1 1 1 12 4  2  o 55.62000 0.7507000 -0.1729000     1.501000  
1 1 1 12 4  4  o 21.54000 0.5646000 0.6254000      1.129000  
1 1 1 12 4  6  o 77.07000 1.090000  -0.2416000     2.180000  
1 1 1 12 4  8  o 82.34000 1.272000  -0.3623000     2.543000  
1 1 1 12 4  10 o 74.58000 1.171000  -1.959000      2.342000  
1 1 1 12 4  12 o 171.0000 2.184000  -1.472000      4.368000  
1 1 1 12 4  14 o 128.8000 1.652000  1.441000       3.305000  
1 1 1 12 4  16 o 102.4000 1.379000  -0.2519000     2.759000  
1 1 1 12 4  18 o 71.30000 1.226000  0.6124000      2.453000  
1 1 1 12 4  20 o 128.4000 2.062000  1.217000       4.124000  
1 1 1 12 4  22 o 57.63000 0.9697000 -1.638000      1.939000  
1 1 1 12 4  24 o 23.16000 0.8768000 -1.034000      1.754000  
1 1 1 12 4  26 o 87.44000 1.523000  0.9696000      3.047000  
1 1 1 12 4  28 o 31.97000 0.9442000 -1.320000      1.888000  
1 1 1 12 4  30 f 15.65000 1.259000  -0.7009000     2.519000  
1 1 1 12 4  32 o 46.66000 1.010000  -0.6792000     2.019000  
1 1 1 12 4  34 o 53.60000 1.803000  2.589000       3.605000  
1 1 1 12 4  36 o 24.00000 3.285000  -2.521000      6.570000  
1 1 1 12 4  38 o 33.15000 1.022000  0.5932000      2.043000  
1 1 1 12 4  40 o 47.43000 1.831000  3.309000       3.661000  
1 1 1 12 4  42 o 39.21000 1.092000  0.8188000      2.184000  
1 1 1 12 4  44 o 22.10000 1.302000  0.2850000      2.605000  
1 1 1 12 4  46 o 26.97000 1.188000  -0.6585000     2.375000  
1 1 1 12 4  48 o 40.61000 0.9515000 2.076000       1.903000  
1 1 1 12 5  1  o 32.43000 0.5822000 -1.431000      1.164000  
1 1 1 12 5  3  o 18.53000 0.6117000 0.9184000      1.223000  
1 1 1 12 5  5  o 43.46000 0.6775000 0.4284000      1.355000  
1 1 1 12 5  7  o 20.52000 0.5645000 1.241000       1.129000  
1 1 1 12 5  9  o 81.14000 1.297000  1.390000       2.595000  
1 1 1 12 5  11 o 173.2000 2.211000  0.2857000      4.422000  
1 1 1 12 5  13 o 169.2000 2.163000  2.676000       4.326000  
1 1 1 12 5  15 o 119.7000 1.780000  0.1139000      3.560000  
1 1 1 12 5  17 o 95.39000 1.316000  0.1240000      2.633000  
1 1 1 12 5  19 o 18.71000 1.411000  -0.4523000     2.822000  
1 1 1 12 5  21 o 112.3000 1.547000  -4.845000      3.095000  
1 1 1 12 5  23 o 43.66000 0.8594000 0.5824000      1.719000  
1 1 1 12 5  25 o 74.99000 1.367000  -0.4548000     2.735000  
1 1 1 12 5  27 o 51.69000 0.9734000 2.256000       1.947000  
1 1 1 12 5  29 o 25.16000 0.9527000 -0.3889000     1.905000  
1 1 1 12 5  31 o 12.20000 1.504000  -0.3966000     3.009000  
1 1 1 12 5  33 o 17.91000 1.174000  0.1462000      2.349000  
1 1 1 12 5  35 o 60.49000 1.778000  4.490000       3.556000  
1 1 1 12 5  37 o 60.20000 1.106000  -3.948000      2.212000  
1 1 1 12 5  39 o 42.19000 1.149000  -2.819000      2.298000  
1 1 1 12 5  41 o 45.35000 1.299000  0.7286000      2.597000  
1 1 1 12 5  43 f 27.23000 1.068000  0.4960000      2.136000  
1 1 1 12 5  45 o 20.76000 1.183000  1.072000       2.366000  
1 1 1 12 5  47 o 10.54000 1.832000  -0.8091000     3.665000  
1 1 1 12 6  0  o 90.67000 1.662000  0.000000       0.000000  
1 1 1 12 6  2  o 56.78000 0.7940000 1.157000       1.588000  
1 1 1 12 6  4  o 14.14000 0.7521000 -0.8921000E-02 1.504000  
1 1 1 12 6  6  o 30.71000 0.5857000 -0.8060000     1.171000  
1 1 1 12 6  8  f 24.17000 0.6328000 3.015000       1.266000  
1 1 1 12 6  10 o 113.2000 1.684000  0.4642000      3.367000  
1 1 1 12 6  12 o 150.1000 1.921000  -1.545000      3.842000  
1 1 1 12 6  14 o 76.88000 1.023000  0.3848000      2.047000  
1 1 1 12 6  16 o 161.7000 2.076000  1.575000       4.152000  
1 1 1 12 6  18 o 126.1000 1.697000  -5.563000      3.394000  
1 1 1 12 6  20 o 37.70000 0.9553000 3.985000       1.911000  
1 1 1 12 6  22 o 33.44000 0.8737000 1.224000       1.747000  
1 1 1 12 6  24 o 40.18000 0.9580000 1.100000       1.916000  
1 1 1 12 6  26 o 72.94000 1.261000  -0.5692000     2.521000  
1 1 1 12 6  28 o 36.02000 1.009000  -0.2965000     2.019000  
1 1 1 12 6  30 o 60.52000 1.096000  0.5031000E-01  2.193000  
1 1 1 12 6  32 o 17.55000 1.221000  -0.4452000     2.443000  
1 1 1 12 6  34 o 16.44000 1.220000  2.210000       2.440000  
1 1 1 12 6  36 o 28.03000 2.569000  3.079000       5.138000  
1 1 1 12 6  38 o 40.83000 1.083000  0.8685000      2.166000  
1 1 1 12 6  40 o 21.45000 3.514000  -5.042000      7.027000  
1 1 1 12 6  42 o 34.74000 1.269000  -0.4519000E-01 2.537000  
1 1 1 12 6  44 o 22.72000 1.590000  2.357000       3.180000  
1 1 1 12 6  46 o 39.94000 1.275000  0.2403000      2.550000  
1 1 1 12 6  48 o 20.66000 1.770000  2.333000       3.540000  
1 1 1 12 7  1  o 24.29000 0.5966000 1.303000       1.193000  
1 1 1 12 7  3  o 110.1000 1.534000  -1.210000      3.067000  
1 1 1 12 7  5  o 41.50000 0.7195000 0.7475000E-01  1.439000  
1 1 1 12 7  7  o 38.56000 0.6038000 -0.4294000     1.208000  
1 1 1 12 7  9  o 37.99000 0.6488000 -0.9309000     1.298000  
1 1 1 12 7  11 o 28.44000 0.6598000 1.070000       1.320000  
1 1 1 12 7  13 o 45.56000 0.6862000 0.6357000      1.372000  
1 1 1 12 7  15 o 74.03000 1.074000  -2.067000      2.149000  
1 1 1 12 7  17 o 45.19000 0.8347000 0.4646000      1.669000  
1 1 1 12 7  19 o 55.67000 1.283000  -4.026000      2.565000  
1 1 1 12 7  21 o 78.22000 1.496000  2.013000       2.992000  
1 1 1 12 7  23 o 15.89000 1.162000  -0.4749000E-01 2.324000  
1 1 1 12 7  25 o 39.44000 0.9877000 -0.3456000     1.975000  
1 1 1 12 7  27 o 85.61000 1.484000  1.811000       2.968000  
1 1 1 12 7  29 o 49.33000 1.033000  1.718000       2.066000  
1 1 1 12 7  31 o 43.75000 1.031000  -2.084000      2.062000  
1 1 1 12 7  33 o 40.94000 1.014000  -0.7522000     2.027000  
1 1 1 12 7  35 f 31.47000 2.413000  2.097000       4.826000  
1 1 1 12 7  37 o 56.66000 1.896000  -2.729000      3.792000  
1 1 1 12 7  39 o 12.88000 2.889000  4.396000       5.777000  
1 1 1 12 7  41 o 29.64000 1.887000  2.207000       3.775000  
1 1 1 12 7  43 o 42.71000 1.325000  -1.482000      2.649000  
1 1 1 12 7  45 o 31.52000 1.469000  -5.059000      2.937000  
1 1 1 12 7  47 o 26.17000 1.735000  -1.255000      3.470000  
1 1 1 12 8  0  o 25.15000 0.8042000 0.000000       0.000000  
1 1 1 12 8  2  o 24.23000 0.5501000 -0.2216000     1.100000  
1 1 1 12 8  4  o 55.28000 0.9044000 -1.134000      1.809000  
1 1 1 12 8  6  o 24.68000 0.6276000 -0.4780000     1.255000  
1 1 1 12 8  8  o 95.37000 1.241000  1.888000       2.483000  
1 1 1 12 8  10 o 122.1000 1.695000  0.6435000      3.389000  
1 1 1 12 8  12 o 178.7000 2.285000  -1.184000      4.569000  
1 1 1 12 8  14 o 119.8000 1.548000  -1.479000      3.097000  
1 1 1 12 8  16 o 150.6000 2.245000  0.2107000      4.489000  
1 1 1 12 8  18 o 99.51000 1.362000  -0.1547000     2.724000  
1 1 1 12 8  20 o 82.50000 1.311000  -0.9637000     2.622000  
1 1 1 12 8  22 o 98.59000 1.619000  -4.239000      3.237000  
1 1 1 12 8  24 o 54.05000 1.149000  -1.852000      2.298000  
1 1 1 12 8  26 o 38.41000 0.9572000 -1.510000      1.914000  
1 1 1 12 8  28 o 22.85000 0.9617000 1.130000       1.923000  
1 1 1 12 8  30 o 24.56000 0.9437000 -0.9318000     1.887000  
1 1 1 12 8  32 o 17.91000 1.123000  1.561000       2.247000  
1 1 1 12 8  34 o 28.33000 1.150000  2.289000       2.300000  
1 1 1 12 8  36 o 28.45000 2.981000  1.484000       5.963000  
1 1 1 12 8  38 o 22.06000 3.548000  -6.585000      7.096000  
1 1 1 12 8  40 o 27.13000 2.260000  -0.3074000     4.519000  
1 1 1 12 8  42 o 9.384000 2.565000  -0.5625000E-01 5.130000  
1 1 1 12 8  44 o 24.03000 1.698000  2.413000       3.397000  
1 1 1 12 8  46 o 25.86000 1.703000  3.241000       3.406000  
1 1 1 12 8  48 o 6.104000 2.992000  ?              ?         
1 1 1 12 9  1  o 112.4000 1.447000  3.180000       2.895000  
1 1 1 12 9  3  o 110.2000 1.468000  0.1331000      2.937000  
1 1 1 12 9  5  o 64.32000 1.050000  2.608000       2.099000  
1 1 1 12 9  7  o 86.88000 1.350000  -1.657000      2.699000  
1 1 1 12 9  9  o 90.26000 1.275000  0.2537000      2.550000  
1 1 1 12 9  11 o 51.60000 0.8137000 -1.223000      1.627000  
1 1 1 12 9  13 o 55.27000 0.8477000 1.241000       1.695000  
1 1 1 12 9  15 o 47.42000 0.7956000 -1.119000      1.591000  
1 1 1 12 9  17 o 46.53000 0.8858000 0.5622000E-01  1.772000  
1 1 1 12 9  19 o 34.79000 0.8307000 -0.4619000     1.661000  
1 1 1 12 9  21 o 79.41000 1.394000  -1.774000      2.788000  
1 1 1 12 9  23 o 22.66000 0.9089000 -0.3859000     1.818000  
1 1 1 12 9  25 o 68.41000 1.260000  -1.291000      2.520000  
1 1 1 12 9  27 o 23.91000 0.9519000 -2.341000      1.904000  
1 1 1 12 9  29 o 41.03000 0.9557000 1.058000       1.911000  
1 1 1 12 9  31 o 37.00000 1.207000  -0.7285000     2.415000  
1 1 1 12 9  33 o 22.89000 1.623000  3.011000       3.246000  
1 1 1 12 9  35 o 10.88000 2.130000  0.3391000      4.261000  
1 1 1 12 9  37 o 30.65000 3.078000  -3.311000      6.156000  
1 1 1 12 9  39 o 25.26000 2.483000  -11.39000      4.965000  
1 1 1 12 9  41 o 23.84000 1.790000  3.154000       3.579000  
1 1 1 12 9  43 o 31.43000 1.376000  0.5144000      2.751000  
1 1 1 12 9  45 o 11.44000 2.674000  0.2777000      5.348000  
1 1 1 12 9  47 o 18.08000 2.975000  5.962000       5.950000  
1 1 1 12 10 0  o 59.20000 1.346000  0.000000       0.000000  
1 1 1 12 10 2  o 72.11000 0.9903000 -2.773000      1.981000  
1 1 1 12 10 4  o 147.7000 1.955000  -0.5764000     3.909000  
1 1 1 12 10 6  o 26.94000 1.361000  -6.421000      2.722000  
1 1 1 12 10 8  o 141.4000 2.216000  -3.935000      4.433000  
1 1 1 12 10 10 o 137.9000 2.049000  4.191000       4.097000  
1 1 1 12 10 12 o 122.1000 1.705000  4.317000       3.410000  
1 1 1 12 10 14 o 112.8000 1.588000  -3.873000      3.176000  
1 1 1 12 10 16 o 25.92000 0.8679000 -2.910000      1.736000  
1 1 1 12 10 18 o 63.49000 1.286000  3.658000       2.572000  
1 1 1 12 10 20 o 17.78000 1.054000  0.3956000E-01  2.108000  
1 1 1 12 10 22 o 54.10000 1.069000  -1.291000      2.137000  
1 1 1 12 10 24 o 47.00000 1.052000  2.551000       2.103000  
1 1 1 12 10 26 o 52.12000 1.006000  0.2112000      2.011000  
1 1 1 12 10 28 o 36.69000 0.9123000 0.3817000      1.825000  
1 1 1 12 10 30 o 49.66000 1.088000  -2.068000      2.177000  
1 1 1 12 10 32 o 35.81000 1.258000  0.5000000      2.516000  
1 1 1 12 10 34 o 31.77000 1.297000  -1.753000      2.594000  
1 1 1 12 10 36 o 28.08000 2.824000  -2.209000      5.648000  
1 1 1 12 10 38 f 17.06000 3.333000  -10.38000      6.665000  
1 1 1 12 10 40 o 26.20000 1.824000  -1.894000      3.648000  
1 1 1 12 10 42 o 23.92000 1.663000  -0.2853000     3.327000  
1 1 1 12 10 44 o 7.828000 2.414000  -2.052000      4.828000  
1 1 1 12 10 46 o 12.91000 2.501000  2.513000       5.002000  
1 1 1 12 11 1  o 107.5000 1.392000  1.750000       2.785000  
1 1 1 12 11 3  o 75.43000 1.043000  0.5277000      2.085000  
1 1 1 12 11 5  o 27.39000 0.7006000 0.5036000      1.401000  
1 1 1 12 11 7  o 123.9000 1.872000  -8.216000      3.745000  
1 1 1 12 11 9  o 93.79000 1.489000  1.139000       2.978000  
1 1 1 12 11 11 o 102.2000 1.657000  5.688000       3.314000  
1 1 1 12 11 13 o 93.80000 1.392000  -2.870000      2.784000  
1 1 1 12 11 15 o 121.4000 1.614000  1.108000       3.229000  
1 1 1 12 11 17 o 11.83000 1.922000  1.158000       3.845000  
1 1 1 12 11 19 o 53.13000 1.182000  -1.902000      2.363000  
1 1 1 12 11 21 o 68.00000 1.120000  2.707000       2.240000  
1 1 1 12 11 23 f 83.90000 1.168000  -1.963000      2.336000  
1 1 1 12 11 25 o 49.86000 1.065000  0.2357000      2.129000  
1 1 1 12 11 27 o 33.24000 0.9166000 1.634000       1.833000  
1 1 1 12 11 29 o 36.89000 1.119000  -3.212000      2.238000  
1 1 1 12 11 31 o 40.50000 1.252000  -3.375000      2.505000  
1 1 1 12 11 33 o 29.00000 1.334000  -3.447000      2.668000  
1 1 1 12 11 35 o 39.11000 1.076000  -3.259000      2.152000  
1 1 1 12 11 37 o 39.60000 2.708000  -8.202000      5.416000  
1 1 1 12 11 39 o 30.91000 1.946000  -8.542000      3.892000  
1 1 1 12 11 41 o 7.355000 2.280000  -1.921000      4.560000  
1 1 1 12 11 43 o 20.83000 1.842000  1.428000       3.684000  
1 1 1 12 11 45 o 24.53000 1.845000  3.649000       3.690000  
1 1 1 12 11 47 o 23.29000 3.093000  -10.14000      6.186000  
1 1 1 12 12 0  o 21.84000 1.017000  0.000000       0.000000  
1 1 1 12 12 2  o 88.31000 1.163000  -0.3590000     2.325000  
1 1 1 12 12 4  o 115.0000 1.543000  0.2859000      3.085000  
1 1 1 12 12 6  o 77.80000 1.085000  -3.068000      2.170000  
1 1 1 12 12 8  f 17.30000 1.927000  -5.710000      3.854000  
1 1 1 12 12 10 o 116.8000 1.849000  1.435000       3.697000  
1 1 1 12 12 12 o 67.95000 1.134000  -4.611000      2.269000  
1 1 1 12 12 14 o 106.3000 1.715000  3.658000       3.430000  
1 1 1 12 12 16 o 56.95000 1.352000  -2.730000      2.704000  
1 1 1 12 12 18 o 92.75000 1.574000  -6.656000      3.148000  
1 1 1 12 12 20 o 11.51000 1.432000  -1.242000      2.865000  
1 1 1 12 12 22 o 35.52000 0.7410000 -1.465000      1.482000  
1 1 1 12 12 24 f 40.97000 0.7691000 -4.436000      1.538000  
1 1 1 12 12 26 o 33.97000 0.8994000 0.2716000      1.799000  
1 1 1 12 12 28 o 26.03000 1.033000  3.873000       2.066000  
1 1 1 12 12 30 o 35.93000 1.287000  -2.000000      2.574000  
1 1 1 12 12 32 o 35.09000 1.323000  2.920000       2.646000  
1 1 1 12 12 34 o 51.01000 1.530000  0.9314000      3.060000  
1 1 1 12 12 36 o 49.45000 1.971000  3.340000       3.943000  
1 1 1 12 12 38 o 82.56000 2.036000  4.307000       4.072000  
1 1 1 12 12 40 o 41.62000 1.346000  -0.7295000     2.693000  
1 1 1 12 12 42 o 24.13000 1.662000  3.394000       3.324000  
1 1 1 12 12 44 o 15.84000 2.327000  1.219000       4.654000  
1 1 1 12 12 46 o 25.62000 2.453000  5.449000       4.907000  
1 1 1 12 13 1  o 43.60000 0.7269000 -0.5400000     1.454000  
1 1 1 12 13 3  f 37.37000 0.6991000 1.671000       1.398000  
1 1 1 12 13 5  o 49.05000 0.8111000 -3.013000      1.622000  
1 1 1 12 13 7  o 125.9000 1.918000  -9.078000      3.835000  
1 1 1 12 13 9  o 81.04000 1.380000  -2.418000      2.760000  
1 1 1 12 13 11 o 94.04000 2.015000  -7.681000      4.031000  
1 1 1 12 13 13 o 91.39000 1.410000  -3.081000      2.819000  
1 1 1 12 13 15 f 77.76000 1.715000  -0.5681000     3.431000  
1 1 1 12 13 17 o 97.73000 1.800000  -3.936000      3.600000  
1 1 1 12 13 19 o 118.0000 1.810000  -0.8945000     3.619000  
1 1 1 12 13 21 o 67.96000 1.054000  -3.170000      2.109000  
1 1 1 12 13 23 o 42.58000 0.8089000 -2.142000      1.618000  
1 1 1 12 13 25 o 97.01000 1.348000  4.630000       2.696000  
1 1 1 12 13 27 o 26.49000 0.8645000 0.5597000      1.729000  
1 1 1 12 13 29 o 8.141000 2.012000  0.6822000E-01  4.024000  
1 1 1 12 13 31 o 23.46000 1.809000  -1.966000      3.619000  
1 1 1 12 13 33 o 9.740000 2.486000  -0.6763000     4.971000  
1 1 1 12 13 35 o 18.16000 3.800000  2.141000       7.600000  
1 1 1 12 13 37 o 22.91000 4.278000  -8.814000      8.556000  
1 1 1 12 13 39 o 37.58000 1.499000  -3.031000      2.999000  
1 1 1 12 13 41 o 14.32000 2.420000  -0.1788000     4.840000  
1 1 1 12 13 43 o 34.26000 1.347000  1.463000       2.695000  
1 1 1 12 13 45 o 11.19000 2.390000  5.038000       4.779000  
1 1 1 12 14 0  o 18.20000 1.438000  0.000000       0.000000  
1 1 1 12 14 2  o 50.18000 0.7797000 1.346000       1.559000  
1 1 1 12 14 4  o 62.67000 0.9051000 0.8306000      1.810000  
1 1 1 12 14 6  o 132.5000 2.118000  1.475000       4.236000  
1 1 1 12 14 8  o 86.55000 1.559000  -1.704000      3.117000  
1 1 1 12 14 10 o 110.7000 1.789000  0.4251000      3.578000  
1 1 1 12 14 12 o 73.22000 1.496000  -2.358000      2.992000  
1 1 1 12 14 14 o 82.84000 1.804000  -4.663000      3.608000  
1 1 1 12 14 16 o 51.88000 2.872000  -9.344000      5.745000  
1 1 1 12 14 18 o 109.2000 1.890000  7.876000       3.780000  
1 1 1 12 14 20 o 56.01000 0.9645000 -4.637000      1.929000  
1 1 1 12 14 22 o 55.64000 1.044000  1.880000       2.088000  
1 1 1 12 14 24 o 51.12000 0.8835000 -2.766000      1.767000  
1 1 1 12 14 26 o 36.56000 0.8426000 -0.5457000     1.685000  
1 1 1 12 14 28 o 49.92000 1.124000  5.782000       2.249000  
1 1 1 12 14 30 o 60.14000 2.102000  ?              ?         
1 1 1 12 14 32 o 20.20000 1.918000  -0.4820000     3.837000  
1 1 1 12 14 34 o 17.12000 1.484000  -1.288000      2.968000  
1 1 1 12 14 36 o 17.24000 3.081000  -9.470000      6.162000  
1 1 1 12 14 38 o 22.74000 3.834000  -14.05000      7.668000  
1 1 1 12 14 40 o 14.38000 2.460000  -0.6927000     4.921000  
1 1 1 12 14 42 o 14.88000 2.656000  0.2392000      5.312000  
1 1 1 12 14 44 o 18.75000 2.445000  2.616000       4.891000  
1 1 1 12 14 46 o 33.44000 1.536000  -5.017000      3.073000  
1 1 1 12 15 1  o 37.82000 0.8052000 0.2967000      1.610000  
1 1 1 12 15 3  o 102.2000 1.354000  1.515000       2.709000  
1 1 1 12 15 5  o 45.49000 0.9553000 -1.399000      1.911000  
1 1 1 12 15 7  o 34.31000 1.063000  0.5748000E-01  2.126000  
1 1 1 12 15 9  o 81.23000 1.345000  -1.643000      2.690000  
1 1 1 12 15 11 o 33.71000 2.457000  -2.752000      4.914000  
1 1 1 12 15 13 o 60.43000 1.404000  ?              ?         
1 1 1 12 15 15 o 43.54000 1.180000  -3.206000      2.361000  
1 1 1 12 15 17 o 34.01000 1.050000  -1.534000      2.099000  
1 1 1 12 15 19 o 97.15000 1.594000  -2.448000      3.188000  
1 1 1 12 15 21 o 99.78000 1.452000  4.282000       2.904000  
1 1 1 12 15 23 o 86.92000 1.338000  3.415000       2.676000  
1 1 1 12 15 25 o 54.35000 1.072000  1.609000       2.143000  
1 1 1 12 15 27 o 34.36000 1.962000  -2.129000      3.924000  
1 1 1 12 15 29 o 36.99000 2.638000  -2.451000      5.276000  
1 1 1 12 15 31 o 27.44000 1.491000  -0.2191000     2.983000  
1 1 1 12 15 33 o 19.34000 1.363000  4.035000       2.727000  
1 1 1 12 15 35 o 25.54000 3.090000  -9.097000      6.179000  
1 1 1 12 15 37 o 57.16000 2.128000  -8.526000      4.257000  
1 1 1 12 15 39 o 38.14000 1.346000  -0.8541000     2.692000  
1 1 1 12 15 41 o 40.72000 1.480000  -0.9934000     2.959000  
1 1 1 12 15 43 o 13.54000 2.405000  3.596000       4.811000  
1 1 1 12 15 45 o 9.462000 2.500000  3.529000       5.000000  
1 1 1 12 16 0  o 60.67000 1.318000  0.000000       0.000000  
1 1 1 12 16 2  o 91.57000 1.244000  0.7223000      2.487000  
1 1 1 12 16 4  o 129.5000 1.695000  -0.1588000     3.391000  
1 1 1 12 16 6  o 102.9000 1.391000  0.3770000      2.783000  
1 1 1 12 16 8  o 46.15000 1.087000  1.162000       2.175000  
1 1 1 12 16 10 o 104.2000 1.548000  -3.723000      3.096000  
1 1 1 12 16 12 o 48.41000 3.732000  -17.91000      7.465000  
1 1 1 12 16 14 o 32.87000 2.196000  -0.8574000     4.391000  
1 1 1 12 16 16 o 63.78000 1.149000  0.6689000      2.298000  
1 1 1 12 16 18 o 80.15000 1.316000  -0.4328000     2.631000  
1 1 1 12 16 20 o 50.38000 1.042000  -3.284000      2.083000  
1 1 1 12 16 22 o 20.89000 1.021000  -1.898000      2.043000  
1 1 1 12 16 24 o 56.57000 1.093000  3.788000       2.186000  
1 1 1 12 16 26 o 41.50000 0.9674000 2.351000       1.935000  
1 1 1 12 16 28 o 34.45000 2.392000  3.705000       4.784000  
1 1 1 12 16 30 o 52.57000 1.685000  6.464000       3.371000  
1 1 1 12 16 32 o 12.86000 3.214000  4.927000       6.429000  
1 1 1 12 16 34 o 47.78000 1.858000  4.065000       3.716000  
1 1 1 12 16 36 o 41.03000 2.649000  0.1349000      5.298000  
1 1 1 12 16 38 o 7.799000 2.295000  -0.9098000     4.589000  
1 1 1 12 16 40 o 9.512000 2.420000  -0.6994000     4.839000  
1 1 1 12 16 42 o 11.44000 2.558000  -1.290000      5.115000  
1 1 1 12 16 44 o 13.44000 2.367000  6.608000       4.733000  
1 1 1 12 17 1  o 31.41000 1.171000  -4.446000      2.342000  
1 1 1 12 17 3  o 89.15000 1.252000  0.1480000      2.504000  
1 1 1 12 17 5  o 51.03000 1.130000  -1.263000      2.260000  
1 1 1 12 17 7  o 29.32000 1.657000  3.569000       3.315000  
1 1 1 12 17 9  o 53.92000 1.771000  -3.878000      3.541000  
1 1 1 12 17 11 o 125.9000 2.021000  1.543000       4.041000  
1 1 1 12 17 13 o 100.6000 1.838000  8.768000       3.676000  
1 1 1 12 17 15 o 89.15000 1.615000  -1.337000      3.231000  
1 1 1 12 17 17 o 106.2000 1.640000  9.072000       3.280000  
1 1 1 12 17 19 o 111.5000 1.747000  4.153000       3.493000  
1 1 1 12 17 21 f 61.64000 1.145000  3.157000       2.291000  
1 1 1 12 17 23 o 91.04000 1.494000  1.545000       2.988000  
1 1 1 12 17 25 o 35.89000 0.9448000 0.9572000      1.890000  
1 1 1 12 17 27 o 12.58000 1.565000  -6.063000      3.129000  
1 1 1 12 17 29 o 57.34000 1.754000  -3.274000      3.508000  
1 1 1 12 17 31 o 42.63000 1.845000  -1.873000      3.690000  
1 1 1 12 17 33 o 30.02000 2.583000  -2.431000      5.167000  
1 1 1 12 17 35 o 26.46000 3.676000  -7.349000      7.352000  
1 1 1 12 17 37 o 55.93000 1.559000  ?              ?         
1 1 1 12 17 39 o 42.63000 2.283000  0.7496000      4.565000  
1 1 1 12 17 41 o 35.14000 3.264000  0.5596000      6.529000  
1 1 1 12 17 43 o 32.48000 3.240000  -14.19000      6.479000  
1 1 1 12 17 45 o 10.01000 2.924000  -0.9998000E-01 5.848000  
1 1 1 12 18 0  o 104.7000 2.052000  0.000000       0.000000  
1 1 1 12 18 2  f 84.60000 1.235000  0.9227000      2.471000  
1 1 1 12 18 4  o 94.55000 1.590000  -0.4358000     3.181000  
1 1 1 12 18 6  o 75.04000 1.767000  -6.142000      3.533000  
1 1 1 12 18 8  o 48.67000 1.340000  -0.7637000E-01 2.679000  
1 1 1 12 18 10 o 154.1000 2.329000  3.674000       4.658000  
1 1 1 12 18 12 o 85.08000 1.738000  -4.457000      3.477000  
1 1 1 12 18 14 o 85.35000 1.409000  -5.904000      2.818000  
1 1 1 12 18 16 o 99.14000 2.393000  -0.6917000     4.787000  
1 1 1 12 18 18 o 79.88000 1.409000  -1.242000      2.817000  
1 1 1 12 18 20 o 17.13000 1.423000  0.8527000      2.847000  
1 1 1 12 18 22 o 15.07000 1.780000  2.083000       3.561000  
1 1 1 12 18 24 o 87.30000 1.390000  3.168000       2.781000  
1 1 1 12 18 26 o 57.29000 1.094000  0.7787000      2.187000  
1 1 1 12 18 28 o 28.05000 1.007000  -2.199000      2.014000  
1 1 1 12 18 30 o 11.82000 3.110000  4.814000       6.219000  
1 1 1 12 18 32 o 13.34000 4.204000  10.08000       8.407000  
1 1 1 12 18 34 o 42.09000 2.014000  ?              ?         
1 1 1 12 18 36 o 11.28000 2.708000  -4.484000      5.417000  
1 1 1 12 18 38 o 20.30000 3.722000  3.338000       7.445000  
1 1 1 12 18 40 o 17.62000 3.224000  -4.687000      6.447000  
1 1 1 12 18 42 f 25.17000 3.673000  -11.47000      7.346000  
1 1 1 12 18 44 o 21.28000 2.764000  1.801000       5.527000  
1 1 1 12 19 1  o 77.89000 2.305000  3.502000       4.610000  
1 1 1 12 19 3  o 114.0000 1.827000  -2.203000      3.654000  
1 1 1 12 19 5  o 157.4000 2.241000  2.837000       4.483000  
1 1 1 12 19 7  o 117.2000 1.849000  1.357000       3.698000  
1 1 1 12 19 9  o 46.14000 1.139000  -1.893000      2.277000  
1 1 1 12 19 11 o 24.33000 1.325000  3.622000       2.649000  
1 1 1 12 19 13 o 30.68000 1.275000  -3.484000      2.549000  
1 1 1 12 19 15 o 54.76000 1.222000  -4.505000      2.444000  
1 1 1 12 19 17 f 49.19000 1.543000  -4.845000      3.086000  
1 1 1 12 19 19 o 42.17000 1.169000  -3.632000      2.338000  
1 1 1 12 19 21 o 50.25000 1.189000  -2.069000      2.378000  
1 1 1 12 19 23 o 33.09000 1.124000  -1.163000      2.247000  
1 1 1 12 19 25 o 35.17000 1.450000  -4.489000      2.900000  
1 1 1 12 19 27 o 47.34000 0.9972000 0.1128000      1.994000  
1 1 1 12 19 29 o 12.37000 1.606000  -1.598000      3.212000  
1 1 1 12 19 31 o 29.29000 2.774000  1.944000       5.548000  
1 1 1 12 19 33 o 19.55000 3.504000  -8.705000      7.008000  
1 1 1 12 19 35 o 15.59000 3.052000  -7.389000      6.104000  
1 1 1 12 19 37 o 42.38000 2.794000  3.959000       5.589000  
1 1 1 12 19 39 o 21.54000 4.383000  3.004000       8.766000  
1 1 1 12 19 41 o 21.75000 3.928000  -7.692000      7.856000  
1 1 1 12 19 43 o 23.90000 4.049000  -4.738000      8.098000  
1 1 1 12 20 0  o 93.86000 2.286000  0.000000       0.000000  
1 1 1 12 20 2  o 17.42000 3.156000  -0.8224000     6.311000  
1 1 1 12 20 4  o 43.88000 1.363000  -0.6546000     2.726000  
1 1 1 12 20 6  o 88.63000 1.963000  -3.492000      3.926000  
1 1 1 12 20 8  o 108.4000 2.093000  3.944000       4.186000  
1 1 1 12 20 10 o 102.8000 1.822000  2.785000       3.644000  
1 1 1 12 20 12 o 53.08000 1.206000  -4.159000      2.412000  
1 1 1 12 20 14 o 30.61000 1.371000  -2.769000      2.743000  
1 1 1 12 20 16 o 34.69000 1.257000  0.1391000      2.514000  
1 1 1 12 20 18 o 80.46000 1.577000  -4.990000      3.155000  
1 1 1 12 20 20 o 21.79000 1.643000  -1.505000      3.285000  
1 1 1 12 20 22 f 38.12000 1.080000  0.8505000      2.160000  
1 1 1 12 20 24 o 71.59000 1.181000  -0.5114000     2.361000  
1 1 1 12 20 26 o 32.40000 1.042000  -2.637000      2.084000  
1 1 1 12 20 28 o 43.32000 1.070000  2.825000       2.139000  
1 1 1 12 20 30 o 54.03000 1.141000  -1.822000      2.282000  
1 1 1 12 20 32 o 18.27000 3.174000  -7.172000      6.349000  
1 1 1 12 20 34 o 56.54000 1.826000  8.670000       3.652000  
1 1 1 12 20 36 o 26.98000 4.455000  -4.932000      8.910000  
1 1 1 12 20 38 o 12.86000 3.657000  4.722000       7.314000  
1 1 1 12 20 40 o 14.66000 3.725000  1.622000       7.449000  
1 1 1 12 20 42 o 11.55000 3.430000  3.521000       6.861000  
1 1 1 12 20 44 o 12.30000 4.057000  ?              ?         
1 1 1 12 21 1  o 47.54000 1.379000  0.9031000      2.759000  
1 1 1 12 21 3  o 45.23000 1.279000  3.801000       2.558000  
1 1 1 12 21 5  o 69.71000 1.276000  -2.879000      2.553000  
1 1 1 12 21 7  o 153.0000 2.581000  -2.923000      5.162000  
1 1 1 12 21 9  o 146.4000 2.088000  1.880000       4.176000  
1 1 1 12 21 11 o 28.20000 1.372000  -0.7509000E-01 2.744000  
1 1 1 12 21 13 o 54.64000 1.243000  1.820000       2.485000  
1 1 1 12 21 15 o 32.08000 1.474000  3.342000       2.948000  
1 1 1 12 21 17 o 29.09000 1.338000  2.989000       2.677000  
1 1 1 12 21 19 o 29.30000 2.225000  2.541000       4.450000  
1 1 1 12 21 21 o 21.14000 1.515000  -2.938000      3.031000  
1 1 1 12 21 23 o 32.08000 1.233000  0.9218000      2.466000  
1 1 1 12 21 25 o 61.26000 1.217000  0.8780000      2.434000  
1 1 1 12 21 27 o 51.41000 1.117000  3.648000       2.233000  
1 1 1 12 21 29 o 37.42000 1.035000  -2.163000      2.071000  
1 1 1 12 21 31 o 10.81000 1.785000  -1.894000      3.570000  
1 1 1 12 21 33 o 87.83000 3.285000  -10.67000      6.570000  
1 1 1 12 21 35 o 20.96000 2.981000  -14.26000      5.963000  
1 1 1 12 21 37 o 17.39000 3.751000  0.4890000      7.502000  
1 1 1 12 21 39 o 13.66000 4.225000  10.17000       8.450000  
1 1 1 12 21 41 o 18.92000 3.059000  -10.27000      6.118000  
1 1 1 12 21 43 o 9.650000 2.746000  -3.249000      5.493000  
1 1 1 12 22 0  o 47.54000 1.665000  0.000000       0.000000  
1 1 1 12 22 2  o 111.2000 2.523000  5.600000       5.046000  
1 1 1 12 22 4  o 70.17000 1.522000  4.042000       3.045000  
1 1 1 12 22 6  o 41.88000 1.439000  6.505000       2.878000  
1 1 1 12 22 8  o 76.31000 1.390000  2.626000       2.781000  
1 1 1 12 22 10 o 147.4000 2.103000  0.2276000      4.205000  
1 1 1 12 22 12 o 135.5000 1.972000  -10.20000      3.944000  
1 1 1 12 22 14 o 67.53000 1.418000  -2.983000      2.836000  
1 1 1 12 22 16 o 92.94000 1.493000  1.845000       2.986000  
1 1 1 12 22 18 o 27.69000 1.444000  -0.6459000     2.889000  
1 1 1 12 22 20 o 16.72000 3.353000  2.448000       6.705000  
1 1 1 12 22 22 o 39.22000 2.447000  1.025000       4.894000  
1 1 1 12 22 24 o 7.895000 2.240000  0.4688000      4.481000  
1 1 1 12 22 26 o 58.33000 1.254000  4.781000       2.508000  
1 1 1 12 22 28 o 44.26000 1.099000  -1.482000      2.198000  
1 1 1 12 22 30 o 25.39000 1.130000  -2.380000      2.260000  
1 1 1 12 22 32 o 33.29000 3.779000  -1.638000      7.557000  
1 1 1 12 22 34 o 13.69000 2.981000  -4.073000      5.963000  
1 1 1 12 22 36 f 24.67000 4.610000  5.101000       9.220000  
1 1 1 12 22 38 o 17.92000 3.518000  4.409000       7.037000  
1 1 1 12 22 40 o 20.36000 3.241000  -7.815000      6.483000  
1 1 1 12 22 42 o 30.26000 2.632000  ?              ?         
1 1 1 12 23 1  o 62.44000 1.176000  5.457000       2.353000  
1 1 1 12 23 3  o 48.33000 1.091000  -3.714000      2.181000  
1 1 1 12 23 5  o 51.03000 1.243000  -1.824000      2.487000  
1 1 1 12 23 7  o 65.76000 1.170000  0.7242000      2.341000  
1 1 1 12 23 9  o 68.73000 1.296000  1.173000       2.591000  
1 1 1 12 23 11 o 36.11000 1.547000  1.712000       3.094000  
1 1 1 12 23 13 f 63.18000 1.493000  1.374000       2.987000  
1 1 1 12 23 15 o 68.08000 1.311000  -2.147000      2.621000  
1 1 1 12 23 17 o 17.34000 2.191000  1.226000       4.382000  
1 1 1 12 23 19 o 37.00000 1.299000  -0.8100000     2.599000  
1 1 1 12 23 21 o 32.13000 1.332000  -4.831000      2.664000  
1 1 1 12 23 23 o 17.94000 3.628000  -1.142000      7.256000  
1 1 1 12 23 25 f 39.00000 1.169000  -1.662000      2.338000  
1 1 1 12 23 27 o 31.20000 1.149000  -4.553000      2.298000  
1 1 1 12 23 29 o 36.61000 1.129000  -0.8974000E-01 2.257000  
1 1 1 12 23 31 o 21.10000 1.798000  ?              ?         
1 1 1 12 23 33 o 20.76000 3.227000  -13.02000      6.455000  
1 1 1 12 23 35 o 24.79000 4.596000  -4.854000      9.193000  
1 1 1 12 23 37 o 11.11000 3.398000  4.033000       6.795000  
1 1 1 12 23 39 o 35.61000 4.228000  -6.489000      8.456000  
1 1 1 12 23 41 o 22.88000 2.882000  -14.66000      5.765000  
1 1 1 12 24 0  o 100.0000 2.276000  0.000000       0.000000  
1 1 1 12 24 2  o 60.39000 1.297000  2.294000       2.595000  
1 1 1 12 24 4  o 8.383000 2.584000  0.2892000      5.168000  
1 1 1 12 24 6  o 60.90000 1.180000  -4.816000      2.359000  
1 1 1 12 24 8  o 51.12000 1.210000  0.8059000      2.420000  
1 1 1 12 24 10 o 32.31000 1.424000  0.3859000      2.847000  
1 1 1 12 24 12 o 38.20000 1.437000  3.348000       2.875000  
1 1 1 12 24 14 o 43.42000 1.218000  -1.671000      2.437000  
1 1 1 12 24 16 o 51.51000 1.117000  0.3872000      2.234000  
1 1 1 12 24 18 o 55.73000 1.303000  -2.168000      2.605000  
1 1 1 12 24 20 o 37.61000 1.453000  -5.355000      2.907000  
1 1 1 12 24 22 o 83.05000 1.593000  -0.9797000     3.186000  
1 1 1 12 24 24 o 35.01000 3.842000  -1.390000      7.684000  
1 1 1 12 24 26 o 41.89000 1.240000  4.106000       2.479000  
1 1 1 12 24 28 o 24.93000 1.366000  0.4677000      2.732000  
1 1 1 12 24 30 o 20.39000 2.587000  -3.712000      5.174000  
1 1 1 12 24 32 f 25.36000 1.496000  -5.011000      2.992000  
1 1 1 12 24 34 o 18.68000 4.988000  10.52000       9.977000  
1 1 1 12 24 36 o 36.46000 2.431000  14.38000       4.861000  
1 1 1 12 24 38 o 24.87000 4.139000  -10.10000      8.278000  
1 1 1 12 24 40 o 46.21000 1.755000  ?              ?         
1 1 1 12 25 1  o 68.55000 1.544000  2.810000       3.087000  
1 1 1 12 25 3  o 67.58000 1.304000  -2.416000      2.607000  
1 1 1 12 25 5  o 62.34000 1.195000  2.110000       2.391000  
1 1 1 12 25 7  o 16.20000 2.748000  -0.7816000     5.496000  
1 1 1 12 25 9  o 36.62000 1.436000  1.768000       2.873000  
1 1 1 12 25 11 o 24.91000 1.835000  -1.246000      3.669000  
1 1 1 12 25 13 f 47.15000 1.241000  -0.2330000E-01 2.482000  
1 1 1 12 25 15 o 61.27000 1.229000  0.8114000      2.459000  
1 1 1 12 25 17 o 16.70000 2.481000  -1.149000      4.962000  
1 1 1 12 25 19 o 31.12000 1.649000  -4.841000      3.297000  
1 1 1 12 25 21 o 43.31000 1.518000  -4.135000      3.035000  
1 1 1 12 25 23 o 54.82000 1.518000  2.075000       3.036000  
1 1 1 12 25 25 o 35.31000 4.906000  2.273000       9.813000  
1 1 1 12 25 27 o 9.303000 2.487000  1.948000       4.975000  
1 1 1 12 25 29 o 7.729000 2.398000  -3.639000      4.796000  
1 1 1 12 25 31 o 7.893000 3.650000  ?              ?         
1 1 1 12 25 33 o 12.03000 1.993000  -6.675000      3.986000  
1 1 1 12 25 35 o 35.17000 2.867000  -0.7316000     5.735000  
1 1 1 12 25 37 o 22.71000 5.418000  7.344000       10.84000  
1 1 1 12 25 39 o 23.55000 3.395000  -10.68000      6.789000  
1 1 1 12 26 0  o 11.18000 4.471000  0.000000       0.000000  
1 1 1 12 26 2  o 39.32000 1.593000  2.990000       3.185000  
1 1 1 12 26 4  o 59.77000 1.360000  2.977000       2.721000  
1 1 1 12 26 6  o 14.55000 2.942000  1.474000       5.885000  
1 1 1 12 26 8  o 42.95000 1.377000  -1.049000      2.753000  
1 1 1 12 26 10 o 34.89000 1.438000  -2.426000      2.876000  
1 1 1 12 26 12 o 65.97000 1.617000  -4.156000      3.233000  
1 1 1 12 26 14 o 32.11000 1.568000  2.306000       3.137000  
1 1 1 12 26 16 o 10.22000 2.774000  -3.278000      5.547000  
1 1 1 12 26 18 o 19.09000 2.339000  -0.6208000     4.678000  
1 1 1 12 26 20 o 19.57000 2.383000  -3.412000      4.766000  
1 1 1 12 26 22 o 36.78000 1.468000  -0.9045000     2.936000  
1 1 1 12 26 24 o 22.87000 1.998000  -0.7689000     3.997000  
1 1 1 12 26 26 o 31.13000 3.869000  -2.932000      7.738000  
1 1 1 12 26 30 o 7.717000 2.667000  4.723000       5.333000  
1 1 1 12 26 32 o 7.944000 2.346000  0.3214000      4.693000  
1 1 1 12 26 34 o 13.36000 2.024000  -5.100000      4.048000  
1 1 1 12 26 36 o 12.82000 3.575000  3.490000       7.149000  
1 1 1 12 26 38 o 9.628000 3.184000  5.124000       6.369000  
1 1 1 12 26 40 o 9.891000 2.983000  4.057000       5.967000  
1 1 1 12 27 1  o 52.51000 1.375000  -1.444000      2.749000  
1 1 1 12 27 3  o 68.61000 1.475000  1.416000       2.951000  
1 1 1 12 27 5  o 41.83000 1.413000  -2.141000      2.825000  
1 1 1 12 27 7  o 14.72000 3.159000  -1.243000      6.317000  
1 1 1 12 27 9  o 39.42000 1.451000  2.967000       2.902000  
1 1 1 12 27 11 o 38.90000 1.858000  -4.397000      3.716000  
1 1 1 12 27 13 o 46.48000 1.335000  1.554000       2.671000  
1 1 1 12 27 15 o 22.45000 2.181000  -0.2036000     4.363000  
1 1 1 12 27 17 o 25.68000 1.854000  2.683000       3.708000  
1 1 1 12 27 19 o 37.16000 1.952000  1.721000       3.905000  
1 1 1 12 27 21 o 42.08000 1.464000  -2.198000      2.928000  
1 1 1 12 27 23 o 15.68000 2.656000  -0.8386000     5.312000  
1 1 1 12 27 25 o 27.77000 1.756000  0.4513000      3.512000  
1 1 1 12 27 27 o 13.76000 5.952000  ?              ?         
1 1 1 12 27 29 o 8.000000 2.550000  -0.6825000     5.100000  
1 1 1 12 27 31 o 33.96000 1.571000  2.316000       3.142000  
1 1 1 12 27 33 o 18.80000 1.809000  -4.906000      3.618000  
1 1 1 12 27 35 o 33.00000 1.140000  -3.711000      2.279000  
1 1 1 12 27 37 o 13.05000 3.132000  -2.119000      6.263000  
1 1 1 12 27 39 o 10.61000 2.827000  -1.276000      5.654000  
1 1 1 12 28 0  o 67.99000 1.912000  0.000000       0.000000  
1 1 1 12 28 2  o 19.53000 2.613000  -5.681000      5.227000  
1 1 1 12 28 4  o 42.05000 1.593000  -1.217000      3.186000  
1 1 1 12 28 6  o 32.66000 1.735000  1.231000       3.470000  
1 1 1 12 28 8  o 24.99000 2.233000  -0.7237000     4.466000  
1 1 1 12 28 10 o 51.11000 1.317000  1.156000       2.633000  
1 1 1 12 28 12 o 31.41000 1.618000  -1.311000      3.236000  
1 1 1 12 28 14 o 9.613000 2.821000  -2.865000      5.642000  
1 1 1 12 28 16 o 16.05000 2.938000  -1.227000      5.876000  
1 1 1 12 28 18 o 24.31000 2.167000  -1.419000      4.335000  
1 1 1 12 28 20 o 53.02000 1.718000  7.436000       3.436000  
1 1 1 12 28 22 f 43.53000 1.561000  -0.7622000     3.123000  
1 1 1 12 28 24 o 11.97000 3.105000  5.907000       6.210000  
1 1 1 12 28 26 o 24.34000 2.883000  -3.105000      5.766000  
1 1 1 12 28 28 o 8.478000 2.796000  6.719000       5.592000  
1 1 1 12 28 30 o 24.45000 2.780000  -4.532000      5.559000  
1 1 1 12 28 32 o 13.35000 3.456000  5.618000       6.912000  
1 1 1 12 28 34 o 22.93000 1.827000  -4.646000      3.654000  
1 1 1 12 28 36 o 13.21000 1.462000  -8.114000      2.923000  
1 1 1 12 28 38 o 10.99000 3.136000  0.7768000      6.273000  
1 1 1 12 29 1  o 38.22000 1.659000  0.1670000      3.318000  
1 1 1 12 29 3  o 48.09000 1.373000  -3.305000      2.745000  
1 1 1 12 29 5  f 60.95000 1.299000  -0.9674000     2.598000  
1 1 1 12 29 7  o 12.12000 3.209000  1.318000       6.418000  
1 1 1 12 29 9  o 20.80000 2.677000  -6.032000      5.355000  
1 1 1 12 29 11 o 16.09000 3.128000  1.643000       6.256000  
1 1 1 12 29 13 o 39.10000 1.490000  2.413000       2.981000  
1 1 1 12 29 15 o 29.38000 1.854000  -0.3078000     3.709000  
1 1 1 12 29 17 o 36.71000 1.562000  -1.923000      3.123000  
1 1 1 12 29 19 o 24.84000 2.522000  4.194000       5.045000  
1 1 1 12 29 21 o 11.61000 3.018000  4.001000       6.036000  
1 1 1 12 29 23 o 13.63000 3.396000  4.360000       6.791000  
1 1 1 12 29 25 o 71.67000 2.494000  ?              ?         
1 1 1 12 29 27 o 13.45000 3.782000  6.862000       7.565000  
1 1 1 12 29 29 o 24.22000 2.804000  0.7818000      5.608000  
1 1 1 12 29 31 o 8.548000 2.676000  0.8457000      5.353000  
1 1 1 12 29 33 o 14.29000 2.720000  -0.6241000     5.441000  
1 1 1 12 29 35 o 10.51000 2.531000  -2.588000      5.063000  
1 1 1 12 29 37 o 18.69000 2.732000  -0.9893000     5.463000  
1 1 1 12 30 0  o 18.09000 4.644000  0.000000       0.000000  
1 1 1 12 30 2  o 15.54000 4.635000  6.220000       9.269000  
1 1 1 12 30 4  o 51.84000 1.594000  -0.2070000     3.188000  
1 1 1 12 30 6  o 47.18000 1.500000  1.868000       3.000000  
1 1 1 12 30 8  o 51.88000 1.462000  -2.546000      2.924000  
1 1 1 12 30 10 o 33.82000 2.538000  -2.448000      5.076000  
1 1 1 12 30 12 o 45.20000 1.541000  3.552000       3.081000  
1 1 1 12 30 14 o 43.12000 1.688000  4.110000       3.376000  
1 1 1 12 30 16 o 23.98000 2.282000  -4.608000      4.563000  
1 1 1 12 30 18 o 11.75000 3.356000  -3.096000      6.712000  
1 1 1 12 30 20 o 9.354000 2.952000  -1.952000      5.903000  
1 1 1 12 30 22 o 15.14000 5.863000  ?              ?         
1 1 1 12 30 24 o 67.04000 1.771000  ?              ?         
1 1 1 12 30 26 o 8.349000 2.544000  6.765000       5.088000  
1 1 1 12 30 28 o 22.77000 2.535000  5.768000       5.071000  
1 1 1 12 30 30 f 14.88000 3.394000  4.543000       6.787000  
1 1 1 12 30 32 o 20.88000 1.863000  -4.630000      3.726000  
1 1 1 12 30 34 o 20.20000 2.294000  -1.906000      4.589000  
1 1 1 12 30 36 o 30.69000 2.848000  -3.012000      5.696000  
1 1 1 12 31 1  o 32.63000 1.945000  -2.302000      3.890000  
1 1 1 12 31 3  o 25.84000 2.277000  0.2581000      4.555000  
1 1 1 12 31 5  o 13.26000 3.283000  -6.195000      6.565000  
1 1 1 12 31 7  o 12.86000 3.414000  0.4453000      6.828000  
1 1 1 12 31 9  o 26.46000 2.927000  3.000000       5.854000  
1 1 1 12 31 11 o 14.67000 3.348000  0.4566000      6.696000  
1 1 1 12 31 13 o 23.38000 2.910000  3.963000       5.821000  
1 1 1 12 31 15 o 17.63000 3.346000  0.7459000      6.693000  
1 1 1 12 31 17 o 13.13000 3.398000  -0.7265000     6.795000  
1 1 1 12 31 19 o 31.82000 1.959000  8.187000       3.919000  
1 1 1 12 31 21 o 33.31000 4.258000  -6.062000      8.515000  
1 1 1 12 31 23 o 9.264000 2.969000  0.3786000      5.939000  
1 1 1 12 31 25 o 24.73000 2.296000  2.573000       4.592000  
1 1 1 12 31 27 o 10.84000 3.153000  4.527000       6.306000  
1 1 1 12 31 29 o 10.92000 2.969000  2.071000       5.939000  
1 1 1 12 31 31 o 15.02000 2.879000  -2.179000      5.758000  
1 1 1 12 31 33 f 8.243000 2.735000  3.575000       5.470000  
1 1 1 12 31 35 o 28.01000 1.731000  -3.690000      3.462000  
1 1 1 12 32 0  o 12.33000 4.850000  0.000000       0.000000  
1 1 1 12 32 2  o 25.24000 2.598000  -1.546000      5.195000  
1 1 1 12 32 4  o 16.88000 3.408000  -0.1061000     6.816000  
1 1 1 12 32 6  o 20.15000 3.128000  4.015000       6.256000  
1 1 1 12 32 8  o 14.43000 3.302000  -3.151000      6.603000  
1 1 1 12 32 10 o 27.25000 2.277000  -4.306000      4.554000  
1 1 1 12 32 12 o 11.36000 3.268000  0.8044000      6.536000  
1 1 1 12 32 14 o 14.95000 3.246000  -3.502000      6.493000  
1 1 1 12 32 16 o 23.46000 3.792000  1.591000       7.585000  
1 1 1 12 32 18 o 20.17000 3.092000  5.295000       6.184000  
1 1 1 12 32 20 o 23.55000 3.449000  2.166000       6.897000  
1 1 1 12 32 22 o 7.438000 3.652000  ?              ?         
1 1 1 12 32 24 o 27.01000 3.215000  -8.148000      6.429000  
1 1 1 12 32 26 o 35.52000 2.307000  3.690000       4.614000  
1 1 1 12 32 28 o 30.72000 2.383000  -5.527000      4.767000  
1 1 1 12 32 30 o 17.31000 3.942000  4.746000       7.883000  
1 1 1 12 32 32 o 17.57000 3.535000  -1.031000      7.071000  
1 1 1 12 32 34 o 32.75000 1.934000  ?              ?         
1 1 1 12 33 1  o 17.48000 3.330000  0.1252000      6.659000  
1 1 1 12 33 3  o 10.40000 3.158000  1.832000       6.317000  
1 1 1 12 33 5  o 29.56000 2.475000  2.005000       4.951000  
1 1 1 12 33 7  o 22.08000 3.240000  2.520000       6.479000  
1 1 1 12 33 9  f 11.33000 3.216000  3.777000       6.431000  
1 1 1 12 33 11 o 34.92000 2.024000  -2.479000      4.048000  
1 1 1 12 33 13 o 22.73000 3.575000  -0.3593000E-01 7.150000  
1 1 1 12 33 15 o 25.10000 3.569000  -10.61000      7.138000  
1 1 1 12 33 17 o 7.430000 2.666000  -2.689000      5.333000  
1 1 1 12 33 19 o 78.58000 1.674000  4.158000       3.348000  
1 1 1 12 33 21 f 10.39000 2.554000  9.283000       5.107000  
1 1 1 12 33 23 o 18.17000 3.550000  -3.162000      7.099000  
1 1 1 12 33 25 o 36.88000 2.061000  -3.204000      4.122000  
1 1 1 12 33 27 o 9.965000 3.070000  3.675000       6.140000  
1 1 1 12 33 29 o 20.23000 3.676000  -4.562000      7.352000  
1 1 1 12 33 31 o 18.49000 4.009000  1.485000       8.019000  
1 1 1 12 33 33 o 15.78000 2.417000  ?              ?         
1 1 1 12 34 0  o 25.27000 5.411000  0.000000       0.000000  
1 1 1 12 34 2  o 50.74000 1.927000  -3.489000      3.854000  
1 1 1 12 34 4  o 25.85000 3.094000  -5.798000      6.189000  
1 1 1 12 34 6  o 22.20000 3.182000  0.7496000      6.365000  
1 1 1 12 34 8  o 22.09000 3.291000  3.620000       6.582000  
1 1 1 12 34 10 o 35.75000 2.002000  1.639000       4.003000  
1 1 1 12 34 12 o 27.90000 2.402000  10.60000       4.805000  
1 1 1 12 34 14 o 9.507000 4.238000  ?              ?         
1 1 1 12 34 16 o 40.71000 2.542000  -6.192000      5.085000  
1 1 1 12 34 18 o 5.982000 2.982000  ?              ?         
1 1 1 12 34 20 o 24.20000 3.565000  2.764000       7.130000  
1 1 1 12 34 22 o 36.73000 2.241000  2.963000       4.483000  
1 1 1 12 34 24 o 15.83000 3.443000  -1.526000      6.886000  
1 1 1 12 34 26 o 10.48000 3.138000  6.029000       6.276000  
1 1 1 12 34 28 o 11.75000 3.352000  10.04000       6.703000  
1 1 1 12 34 30 o 11.48000 2.906000  -2.537000      5.811000  
1 1 1 12 34 32 o 7.454000 3.077000  ?              ?         
1 1 1 12 35 1  o 28.62000 2.614000  -0.9209000     5.228000  
1 1 1 12 35 3  o 29.02000 3.292000  -1.695000      6.583000  
1 1 1 12 35 5  o 17.82000 4.342000  3.910000       8.684000  
1 1 1 12 35 7  o 21.17000 3.657000  -4.642000      7.314000  
1 1 1 12 35 9  f 23.54000 3.035000  8.509000       6.071000  
1 1 1 12 35 11 o 25.76000 3.279000  6.938000       6.557000  
1 1 1 12 35 13 o 38.23000 2.591000  -3.556000      5.182000  
1 1 1 12 35 15 o 8.028000 2.717000  0.9557000      5.434000  
1 1 1 12 35 17 o 41.57000 1.758000  1.940000       3.515000  
1 1 1 12 35 19 o 60.50000 1.936000  5.271000       3.872000  
1 1 1 12 35 21 o 14.04000 3.856000  -4.037000      7.711000  
1 1 1 12 35 23 o 17.34000 3.477000  0.4607000      6.955000  
1 1 1 12 35 25 f 17.58000 3.095000  1.499000       6.190000  
1 1 1 12 35 27 o 15.34000 3.161000  1.239000       6.322000  
1 1 1 12 35 29 o 12.99000 5.251000  ?              ?         
1 1 1 12 35 31 f 5.245000 2.511000  ?              ?         
1 1 1 12 36 0  o 11.42000 5.241000  0.000000       0.000000  
1 1 1 12 36 2  o 43.79000 2.215000  -0.3331000     4.430000  
1 1 1 12 36 4  o 29.38000 2.976000  5.270000       5.952000  
1 1 1 12 36 6  o 8.030000 2.755000  0.2931000      5.511000  
1 1 1 12 36 10 o 79.14000 2.938000  -4.976000      5.876000  
1 1 1 12 36 12 o 8.577000 2.837000  0.1946000      5.674000  
1 1 1 12 36 14 o 9.322000 4.198000  ?              ?         
1 1 1 12 36 16 o 17.76000 3.829000  1.977000       7.659000  
1 1 1 12 36 18 o 25.74000 3.140000  -3.432000      6.280000  
1 1 1 12 36 20 o 21.01000 3.639000  0.6506000      7.279000  
1 1 1 12 36 22 o 26.38000 2.799000  0.2024000      5.597000  
1 1 1 12 36 24 o 12.44000 3.462000  -4.250000      6.924000  
1 1 1 12 36 26 o 6.943000 2.326000  3.965000       4.652000  
1 1 1 12 36 28 o 7.095000 2.434000  5.355000       4.868000  
1 1 1 12 36 30 o 13.42000 4.565000  ?              ?         
1 1 1 12 37 1  o 35.83000 4.855000  3.262000       9.710000  
1 1 1 12 37 3  o 72.96000 2.522000  -1.098000      5.044000  
1 1 1 12 37 5  o 63.29000 1.661000  3.017000       3.323000  
1 1 1 12 37 7  o 10.44000 3.672000  3.985000       7.343000  
1 1 1 12 37 9  o 8.878000 2.936000  2.575000       5.873000  
1 1 1 12 37 11 o 13.93000 2.985000  8.185000       5.969000  
1 1 1 12 37 13 f 10.63000 3.482000  -3.196000      6.965000  
1 1 1 12 37 15 o 14.79000 4.233000  0.8035000E-01  8.467000  
1 1 1 12 37 17 o 34.45000 2.563000  0.6973000      5.127000  
1 1 1 12 37 19 o 60.29000 3.791000  12.40000       7.583000  
1 1 1 12 37 21 o 25.70000 5.069000  1.845000       10.14000  
1 1 1 12 37 23 f 13.40000 3.882000  -2.299000      7.763000  
1 1 1 12 37 25 o 8.422000 2.877000  -2.716000      5.753000  
1 1 1 12 37 27 o 31.34000 2.342000  -2.571000      4.684000  
1 1 1 12 38 2  o 6.219000 2.178000  0.8498000      4.357000  
1 1 1 12 38 4  o 6.629000 3.247000  ?              ?         
1 1 1 12 38 6  o 7.654000 2.511000  0.9060000      5.023000  
1 1 1 12 38 8  o 9.516000 2.659000  4.878000       5.318000  
1 1 1 12 38 10 o 13.08000 3.951000  -2.087000      7.902000  
1 1 1 12 38 12 o 29.90000 3.315000  7.475000       6.631000  
1 1 1 12 38 14 o 16.37000 4.052000  -2.719000      8.104000  
1 1 1 12 38 16 o 12.45000 3.727000  -1.968000      7.453000  
1 1 1 12 38 18 o 13.63000 3.655000  -4.078000      7.309000  
1 1 1 12 38 20 o 14.86000 3.855000  -7.025000      7.711000  
1 1 1 12 38 22 o 12.04000 3.066000  -0.9154000     6.132000  
1 1 1 12 38 24 o 9.660000 2.741000  5.390000       5.481000  
1 1 1 12 38 26 o 20.63000 2.611000  6.234000       5.222000  
1 1 1 12 39 1  o 14.27000 4.375000  0.6623000E-01  8.750000  
1 1 1 12 39 3  o 48.93000 2.473000  0.9389000      4.946000  
1 1 1 12 39 5  o 16.06000 4.613000  0.9952000      9.225000  
1 1 1 12 39 7  o 40.47000 3.113000  3.665000       6.227000  
1 1 1 12 39 9  o 12.91000 3.911000  -1.866000      7.822000  
1 1 1 12 39 11 o 29.09000 2.807000  8.084000       5.614000  
1 1 1 12 39 13 o 35.78000 2.435000  -2.781000      4.870000  
1 1 1 12 39 15 o 12.69000 3.532000  1.693000       7.064000  
1 1 1 12 39 17 o 37.80000 2.337000  9.481000       4.674000  
1 1 1 12 39 19 o 34.14000 2.630000  4.980000       5.259000  
1 1 1 12 39 21 o 14.27000 2.789000  7.708000       5.577000  
1 1 1 12 39 23 o 6.036000 2.077000  2.179000       4.154000  
1 1 1 12 39 25 o 16.42000 3.813000  11.59000       7.626000  
1 1 1 12 40 0  o 14.19000 5.853000  0.000000       0.000000  
1 1 1 12 40 2  o 16.02000 4.551000  1.036000       9.101000  
1 1 1 12 40 4  o 18.77000 4.592000  3.413000       9.184000  
1 1 1 12 40 6  f 28.20000 3.378000  -5.560000      6.756000  
1 1 1 12 40 8  o 17.96000 4.078000  -4.363000      8.155000  
1 1 1 12 40 10 o 21.28000 4.262000  5.633000       8.524000  
1 1 1 12 40 12 o 24.15000 3.318000  -1.921000      6.637000  
1 1 1 12 40 14 o 11.87000 3.531000  -1.104000      7.063000  
1 1 1 12 40 16 o 13.85000 3.659000  -1.268000      7.319000  
1 1 1 12 40 18 o 10.07000 2.692000  4.298000       5.384000  
1 1 1 12 40 20 o 8.922000 2.690000  3.252000       5.380000  
1 1 1 12 40 22 f 26.83000 1.666000  -5.239000      3.332000  
1 1 1 12 41 1  o 21.10000 4.320000  -6.426000      8.641000  
1 1 1 12 41 3  o 29.78000 3.588000  2.079000       7.176000  
1 1 1 12 41 5  o 21.83000 4.476000  -4.412000      8.953000  
1 1 1 12 41 7  o 19.08000 3.919000  3.326000       7.838000  
1 1 1 12 41 9  o 14.57000 3.953000  -0.3274000     7.905000  
1 1 1 12 41 11 o 15.30000 3.811000  4.894000       7.622000  
1 1 1 12 41 13 o 14.19000 3.763000  -0.5449000     7.525000  
1 1 1 12 41 15 o 8.461000 2.584000  1.261000       5.169000  
1 1 1 12 41 17 f 9.667000 2.747000  4.055000       5.493000  
1 1 1 12 41 19 o 24.72000 1.767000  -1.790000      3.535000  
1 1 1 12 41 21 o 12.04000 2.591000  7.079000       5.181000  
1 1 1 12 42 0  o 12.61000 5.447000  0.000000       0.000000  
1 1 1 12 42 2  o 31.85000 2.991000  -0.8586000     5.982000  
1 1 1 12 42 4  o 20.99000 4.080000  -7.427000      8.160000  
1 1 1 12 42 6  o 15.94000 4.268000  -0.8945000     8.535000  
1 1 1 12 42 8  o 14.48000 4.054000  0.2997000      8.109000  
1 1 1 12 42 10 o 14.42000 3.781000  4.643000       7.563000  
1 1 1 12 42 12 o 12.56000 2.946000  4.164000       5.892000  
1 1 1 12 42 14 o 10.29000 2.854000  2.184000       5.707000  
1 1 1 12 42 16 o 13.88000 2.849000  -3.642000      5.698000  
1 1 1 12 42 18 o 8.359000 2.589000  3.550000       5.179000  
1 1 1 12 43 1  o 16.32000 4.197000  0.7084000      8.394000  
1 1 1 12 43 3  f 10.41000 3.125000  0.2817000      6.250000  
1 1 1 12 43 5  o 9.999000 2.922000  0.4614000      5.845000  
1 1 1 12 43 7  o 8.613000 2.680000  1.266000       5.360000  
1 1 1 12 43 9  o 6.821000 2.331000  1.722000       4.662000  
1 1 1 12 43 11 o 8.312000 2.808000  -2.409000      5.616000  
1 1 1 12 43 13 o 22.84000 2.295000  -6.968000      4.590000  
1 1 1 12 43 15 o 8.441000 2.575000  4.316000       5.150000  
1 1 1 12 44 0  o 6.694000 3.277000  0.000000       0.000000  
1 1 1 12 44 2  o 15.40000 3.613000  2.051000       7.226000  
1 1 1 12 44 4  o 12.22000 3.187000  5.193000       6.374000  
1 1 1 12 44 6  o 7.356000 3.557000  ?              ?         
1 1 1 12 44 8  o 23.81000 1.921000  4.543000       3.843000  
1 1 1 12 44 10 o 33.13000 2.327000  9.375000       4.654000  
1 1 1 12 44 12 o 6.879000 2.233000  3.323000       4.465000  
1 1 1 12 45 1  o 32.40000 1.595000  3.607000       3.190000  
1 1 1 12 45 3  o 32.71000 2.382000  6.785000       4.765000  
1 1 1 12 45 5  o 9.621000 2.775000  4.957000       5.550000  
1 1 1 12 45 7  o 8.595000 2.568000  -0.6230000     5.137000  
1 1 1 13 0  1  o 90.14000 1.648000  0.000000       0.000000  
1 1 1 13 0  3  o 200.1000 3.606000  0.000000       0.000000  
1 1 1 13 0  5  o 55.64000 1.061000  0.000000       0.000000  
1 1 1 13 0  7  o 40.19000 0.8386000 0.000000       0.000000  
1 1 1 13 0  9  o 46.74000 0.9341000 0.000000       0.000000  
1 1 1 13 0  11 f 75.29000 1.624000  0.000000       0.000000  
1 1 1 13 0  13 o 61.98000 1.375000  0.000000       0.000000  
1 1 1 13 0  15 f 15.75000 1.306000  0.000000       0.000000  
1 1 1 13 0  17 o 71.67000 1.599000  0.000000       0.000000  
1 1 1 13 0  19 o 75.48000 1.714000  0.000000       0.000000  
1 1 1 13 0  21 o 115.3000 2.467000  0.000000       0.000000  
1 1 1 13 0  23 o 40.22000 1.070000  0.000000       0.000000  
1 1 1 13 0  25 o 4.933000 2.037000  0.000000       0.000000  
1 1 1 13 0  27 o 27.65000 1.273000  0.000000       0.000000  
1 1 1 13 0  29 o 20.51000 1.625000  0.000000       0.000000  
1 1 1 13 0  31 o 53.56000 1.309000  0.000000       0.000000  
1 1 1 13 0  33 o 53.58000 1.327000  0.000000       0.000000  
1 1 1 13 0  35 o 5.879000 2.427000  0.000000       0.000000  
1 1 1 13 0  37 o 39.74000 1.190000  0.000000       0.000000  
1 1 1 13 0  39 o 7.753000 3.246000  0.000000       0.000000  
1 1 1 13 0  41 o 23.89000 2.069000  0.000000       0.000000  
1 1 1 13 0  43 o 24.59000 1.614000  0.000000       0.000000  
1 1 1 13 0  45 o 12.61000 2.718000  0.000000       0.000000  
1 1 1 13 0  47 o 27.62000 1.604000  0.000000       0.000000  
1 1 1 13 1  0  o 44.48000 0.8891000 0.000000       0.000000  
1 1 1 13 1  2  o 49.44000 0.6811000 -0.4589000     1.362000  
1 1 1 13 1  4  o 69.53000 0.9138000 0.5811000      1.828000  
1 1 1 13 1  6  o 101.1000 1.302000  0.5067000      2.604000  
1 1 1 13 1  8  o 60.87000 0.8174000 0.3850000      1.635000  
1 1 1 13 1  10 o 144.7000 2.000000  0.7222000      4.000000  
1 1 1 13 1  12 o 210.2000 3.094000  -0.9765000     6.189000  
1 1 1 13 1  14 o 80.43000 1.225000  -1.701000      2.449000  
1 1 1 13 1  16 o 63.48000 0.9457000 -0.8343000     1.891000  
1 1 1 13 1  18 o 36.81000 0.7865000 -0.5292000E-01 1.573000  
1 1 1 13 1  20 o 107.7000 1.642000  6.039000       3.285000  
1 1 1 13 1  22 o 70.54000 1.291000  5.189000       2.582000  
1 1 1 13 1  24 o 76.23000 2.022000  ?              ?         
1 1 1 13 1  26 o 17.72000 1.502000  0.3285000      3.004000  
1 1 1 13 1  28 o 38.66000 1.044000  2.430000       2.088000  
1 1 1 13 1  30 o 17.26000 2.448000  -3.775000      4.896000  
1 1 1 13 1  32 o 50.84000 1.047000  0.4415000E-01  2.094000  
1 1 1 13 1  34 o 45.19000 0.9960000 -2.134000      1.992000  
1 1 1 13 1  36 o 36.61000 0.9725000 0.8430000      1.945000  
1 1 1 13 1  38 o 45.49000 1.137000  -1.297000      2.275000  
1 1 1 13 1  40 o 30.86000 1.864000  -1.063000      3.728000  
1 1 1 13 1  42 f 28.63000 1.448000  -0.6601000     2.896000  
1 1 1 13 1  44 o 26.41000 1.134000  -1.837000      2.268000  
1 1 1 13 1  46 o 36.99000 0.9576000 -2.251000      1.915000  
1 1 1 13 1  48 o 16.11000 2.391000  3.824000       4.782000  
1 1 1 13 2  1  f 106.3000 1.365000  0.1502000      2.731000  
1 1 1 13 2  3  o 137.8000 1.762000  -0.6432000     3.525000  
1 1 1 13 2  5  o 104.9000 1.352000  1.252000       2.704000  
1 1 1 13 2  7  o 79.59000 1.124000  -0.8175000     2.247000  
1 1 1 13 2  9  o 149.3000 2.062000  0.1393000E-01  4.123000  
1 1 1 13 2  11 o 106.4000 1.691000  -2.485000      3.382000  
1 1 1 13 2  13 o 119.9000 1.997000  0.3183000      3.994000  
1 1 1 13 2  15 o 101.3000 1.425000  -2.560000      2.851000  
1 1 1 13 2  17 o 16.57000 1.415000  2.174000       2.831000  
1 1 1 13 2  19 o 119.0000 2.214000  1.576000       4.427000  
1 1 1 13 2  21 o 55.52000 1.145000  0.1031000      2.290000  
1 1 1 13 2  23 o 37.96000 0.9124000 1.555000       1.825000  
1 1 1 13 2  25 f 39.67000 1.067000  1.259000       2.134000  
1 1 1 13 2  27 o 25.11000 0.9376000 5.218000       1.875000  
1 1 1 13 2  29 o 48.17000 0.9414000 -4.217000      1.883000  
1 1 1 13 2  31 o 22.39000 1.651000  4.148000       3.301000  
1 1 1 13 2  33 f 36.73000 0.9085000 1.469000       1.817000  
1 1 1 13 2  35 o 58.97000 1.007000  -0.4496000     2.013000  
1 1 1 13 2  37 o 57.01000 1.190000  -0.7316000     2.379000  
1 1 1 13 2  39 f 50.13000 1.417000  0.6306000      2.833000  
1 1 1 13 2  41 o 48.93000 1.066000  -2.326000      2.132000  
1 1 1 13 2  43 o 47.80000 1.008000  -0.3904000     2.016000  
1 1 1 13 2  45 o 11.05000 2.137000  -1.685000      4.273000  
1 1 1 13 2  47 o 19.81000 1.521000  5.524000       3.042000  
1 1 1 13 3  0  o 88.70000 1.623000  0.000000       0.000000  
1 1 1 13 3  2  o 43.55000 0.6232000 -0.8065000     1.246000  
1 1 1 13 3  4  o 69.21000 0.9110000 0.3666000      1.822000  
1 1 1 13 3  6  o 65.33000 0.8950000 0.2055000      1.790000  
1 1 1 13 3  8  o 49.14000 0.8009000 -1.487000      1.602000  
1 1 1 13 3  10 o 135.6000 1.877000  2.023000       3.754000  
1 1 1 13 3  12 o 62.33000 0.9137000 -4.616000      1.827000  
1 1 1 13 3  14 o 37.12000 0.7442000 -0.2869000     1.488000  
1 1 1 13 3  16 o 77.17000 1.206000  2.115000       2.413000  
1 1 1 13 3  18 o 101.3000 1.466000  -3.275000      2.931000  
1 1 1 13 3  20 o 39.39000 0.9508000 -1.533000      1.902000  
1 1 1 13 3  22 o 63.46000 0.9760000 -2.734000      1.952000  
1 1 1 13 3  24 o 44.15000 0.9871000 0.6931000E-01  1.974000  
1 1 1 13 3  26 o 49.04000 1.108000  -3.381000      2.215000  
1 1 1 13 3  28 o 70.01000 1.219000  -4.208000      2.438000  
1 1 1 13 3  30 o 67.17000 1.359000  4.976000       2.717000  
1 1 1 13 3  32 o 34.66000 1.531000  3.159000       3.062000  
1 1 1 13 3  34 f 41.98000 0.9293000 -0.2163000     1.859000  
1 1 1 13 3  36 o 48.56000 1.065000  -0.5409000E-01 2.130000  
1 1 1 13 3  38 o 58.09000 1.236000  0.7572000      2.473000  
1 1 1 13 3  40 o 10.83000 2.706000  1.645000       5.412000  
1 1 1 13 3  42 o 12.83000 1.999000  -0.2959000     3.997000  
1 1 1 13 3  44 o 20.60000 1.241000  -0.1972000     2.481000  
1 1 1 13 3  46 o 15.13000 1.731000  0.7592000      3.462000  
1 1 1 13 4  1  o 47.19000 0.6655000 -1.051000      1.331000  
1 1 1 13 4  3  o 79.43000 1.035000  0.4313000      2.070000  
1 1 1 13 4  5  o 37.52000 0.5954000 0.1270000      1.191000  
1 1 1 13 4  7  o 127.5000 1.771000  -2.755000      3.542000  
1 1 1 13 4  9  o 142.0000 1.964000  1.223000       3.927000  
1 1 1 13 4  11 o 102.8000 1.436000  -0.9457000     2.871000  
1 1 1 13 4  13 o 19.08000 1.079000  -1.771000      2.159000  
1 1 1 13 4  15 f 70.93000 1.040000  -0.9172000     2.080000  
1 1 1 13 4  17 o 81.60000 1.159000  1.714000       2.319000  
1 1 1 13 4  19 o 27.59000 1.075000  -0.8560000     2.150000  
1 1 1 13 4  21 o 53.99000 1.008000  -1.629000      2.017000  
1 1 1 13 4  23 o 38.77000 2.002000  -7.680000      4.005000  
1 1 1 13 4  25 f 40.00000 0.8678000 1.882000       1.736000  
1 1 1 13 4  27 o 92.31000 1.471000  -1.223000      2.941000  
1 1 1 13 4  29 o 40.93000 1.062000  0.6183000      2.124000  
1 1 1 13 4  31 o 44.88000 1.318000  -0.1156000     2.635000  
1 1 1 13 4  33 o 61.59000 1.183000  ?              ?         
1 1 1 13 4  35 o 65.08000 1.223000  1.597000       2.445000  
1 1 1 13 4  37 o 66.04000 1.209000  1.038000       2.418000  
1 1 1 13 4  39 o 63.86000 1.396000  -0.4444000     2.793000  
1 1 1 13 4  41 o 33.52000 1.274000  3.775000       2.548000  
1 1 1 13 4  43 o 42.07000 1.091000  -0.6946000     2.182000  
1 1 1 13 4  45 o 31.42000 1.069000  -1.006000      2.137000  
1 1 1 13 4  47 o 15.33000 1.860000  -0.7492000     3.720000  
1 1 1 13 5  0  o 100.9000 1.841000  0.000000       0.000000  
1 1 1 13 5  2  o 17.69000 0.6532000 -1.386000      1.306000  
1 1 1 13 5  4  o 109.4000 1.457000  -1.742000      2.914000  
1 1 1 13 5  6  o 38.99000 0.6206000 0.3609000E-01  1.241000  
1 1 1 13 5  8  f 111.9000 1.556000  0.8542000      3.112000  
1 1 1 13 5  10 o 31.74000 0.7411000 1.102000       1.482000  
1 1 1 13 5  12 o 72.20000 1.038000  -1.297000      2.077000  
1 1 1 13 5  14 o 78.72000 1.132000  0.3466000      2.263000  
1 1 1 13 5  16 o 62.09000 0.9495000 0.9375000      1.899000  
1 1 1 13 5  18 o 88.29000 1.253000  0.5565000      2.506000  
1 1 1 13 5  20 o 30.08000 0.9213000 -1.903000      1.843000  
1 1 1 13 5  22 o 51.37000 0.9857000 -2.010000      1.971000  
1 1 1 13 5  24 o 10.40000 1.618000  -0.1806000E-02 3.236000  
1 1 1 13 5  26 o 8.775000 1.782000  -0.1825000     3.564000  
1 1 1 13 5  28 o 19.84000 1.053000  -0.5135000     2.107000  
1 1 1 13 5  30 o 42.07000 0.8997000 -0.6750000     1.799000  
1 1 1 13 5  32 o 40.79000 2.414000  3.163000       4.827000  
1 1 1 13 5  34 o 42.71000 0.9979000 -0.7770000     1.996000  
1 1 1 13 5  36 o 73.52000 1.254000  2.411000       2.509000  
1 1 1 13 5  38 o 27.15000 1.217000  2.734000       2.434000  
1 1 1 13 5  40 o 28.61000 4.072000  -12.68000      8.144000  
1 1 1 13 5  42 o 29.15000 1.232000  0.3235000      2.465000  
1 1 1 13 5  44 o 13.95000 1.639000  -0.8476000     3.278000  
1 1 1 13 5  46 o 18.43000 1.203000  3.997000       2.405000  
1 1 1 13 6  1  o 12.91000 0.7876000 -0.3694000     1.575000  
1 1 1 13 6  3  o 92.86000 1.250000  -2.723000      2.500000  
1 1 1 13 6  5  o 6.863000 1.327000  1.702000       2.654000  
1 1 1 13 6  7  o 77.35000 1.101000  -1.519000      2.203000  
1 1 1 13 6  9  o 149.5000 2.213000  1.403000       4.426000  
1 1 1 13 6  11 o 43.82000 0.6564000 0.3393000      1.313000  
1 1 1 13 6  13 o 96.43000 1.358000  0.5106000      2.717000  
1 1 1 13 6  15 o 75.57000 1.172000  1.850000       2.345000  
1 1 1 13 6  17 o 67.73000 1.046000  2.399000       2.091000  
1 1 1 13 6  19 o 61.84000 1.028000  -4.490000      2.056000  
1 1 1 13 6  21 o 54.50000 1.074000  -2.180000      2.147000  
1 1 1 13 6  23 o 86.23000 1.218000  -1.491000      2.435000  
1 1 1 13 6  25 o 43.83000 0.9185000 1.257000       1.837000  
1 1 1 13 6  27 o 28.60000 0.9593000 3.261000       1.919000  
1 1 1 13 6  29 o 30.82000 0.9974000 2.541000       1.995000  
1 1 1 13 6  31 o 32.95000 2.851000  -3.679000      5.702000  
1 1 1 13 6  33 o 28.28000 3.969000  -1.944000      7.939000  
1 1 1 13 6  35 o 14.84000 1.359000  -0.4253000E-01 2.719000  
1 1 1 13 6  37 o 13.34000 1.614000  3.139000       3.228000  
1 1 1 13 6  39 o 22.53000 2.055000  -1.812000      4.110000  
1 1 1 13 6  41 o 45.52000 1.198000  3.028000       2.395000  
1 1 1 13 6  43 f 14.67000 2.358000  4.011000       4.717000  
1 1 1 13 6  45 o 21.47000 1.596000  -1.550000      3.191000  
1 1 1 13 6  47 o 14.33000 2.931000  5.773000       5.862000  
1 1 1 13 7  0  f 114.1000 2.074000  0.000000       0.000000  
1 1 1 13 7  2  o 81.37000 1.070000  -0.8001000     2.139000  
1 1 1 13 7  4  o 41.06000 0.6806000 1.572000       1.361000  
1 1 1 13 7  6  o 90.85000 1.222000  -0.2902000     2.444000  
1 1 1 13 7  8  o 54.32000 0.8249000 -0.1538000     1.650000  
1 1 1 13 7  10 o 19.51000 0.7450000 -2.004000      1.490000  
1 1 1 13 7  12 o 68.29000 1.003000  -1.461000      2.007000  
1 1 1 13 7  14 o 90.45000 1.289000  2.580000       2.579000  
1 1 1 13 7  16 o 60.57000 0.9017000 -1.257000      1.803000  
1 1 1 13 7  18 o 57.44000 0.9315000 -2.253000      1.863000  
1 1 1 13 7  20 o 39.79000 0.9862000 -1.554000      1.972000  
1 1 1 13 7  22 o 90.82000 1.280000  3.193000       2.561000  
1 1 1 13 7  24 o 47.44000 0.9421000 -0.5482000E-01 1.884000  
1 1 1 13 7  26 o 19.24000 1.079000  0.5569000      2.157000  
1 1 1 13 7  28 o 29.54000 0.9657000 1.126000       1.931000  
1 1 1 13 7  30 o 30.34000 0.9240000 -2.174000      1.848000  
1 1 1 13 7  32 o 92.93000 1.920000  4.437000       3.839000  
1 1 1 13 7  34 o 37.82000 3.036000  5.503000       6.072000  
1 1 1 13 7  36 o 18.99000 1.170000  -0.5995000E-01 2.339000  
1 1 1 13 7  38 o 17.62000 1.755000  -2.231000      3.510000  
1 1 1 13 7  40 o 20.26000 2.355000  7.964000       4.711000  
1 1 1 13 7  42 o 35.71000 1.269000  -1.956000      2.537000  
1 1 1 13 7  44 o 23.83000 1.509000  -0.6538000     3.018000  
1 1 1 13 7  46 o 46.46000 1.309000  -1.175000      2.618000  
1 1 1 13 8  1  o 63.18000 0.8527000 1.139000       1.705000  
1 1 1 13 8  3  f 113.7000 1.466000  1.412000       2.932000  
1 1 1 13 8  5  o 108.0000 1.442000  0.2120000      2.883000  
1 1 1 13 8  7  o 103.1000 1.336000  0.7746000      2.671000  
1 1 1 13 8  9  o 78.28000 1.121000  0.6963000      2.242000  
1 1 1 13 8  11 o 85.77000 1.128000  0.2620000      2.256000  
1 1 1 13 8  13 o 34.61000 1.073000  3.255000       2.146000  
1 1 1 13 8  15 o 13.49000 1.367000  -0.3127000     2.734000  
1 1 1 13 8  17 f 31.26000 0.9445000 -5.527000      1.889000  
1 1 1 13 8  19 o 28.91000 0.7789000 0.8078000      1.558000  
1 1 1 13 8  21 f 8.015000 1.991000  -1.517000      3.981000  
1 1 1 13 8  23 o 42.94000 1.373000  5.143000       2.745000  
1 1 1 13 8  25 o 64.79000 1.092000  2.416000       2.184000  
1 1 1 13 8  27 o 30.31000 0.9415000 1.095000       1.883000  
1 1 1 13 8  29 o 11.08000 1.665000  1.141000       3.330000  
1 1 1 13 8  31 o 12.64000 1.444000  -2.593000      2.888000  
1 1 1 13 8  33 o 26.22000 3.594000  -5.020000      7.189000  
1 1 1 13 8  35 o 28.29000 0.9696000 2.245000       1.939000  
1 1 1 13 8  37 o 46.73000 1.311000  -0.3502000     2.622000  
1 1 1 13 8  39 o 12.28000 3.708000  -0.2244000E-01 7.417000  
1 1 1 13 8  41 o 23.35000 1.661000  -4.304000      3.322000  
1 1 1 13 8  43 o 33.88000 1.317000  -3.789000      2.634000  
1 1 1 13 8  45 o 14.29000 2.543000  0.2723000      5.087000  
1 1 1 13 8  47 o 19.72000 2.347000  1.190000       4.694000  
1 1 1 13 9  0  o 147.0000 2.664000  0.000000       0.000000  
1 1 1 13 9  2  o 177.2000 2.263000  0.1600000      4.525000  
1 1 1 13 9  4  o 207.3000 2.736000  1.666000       5.471000  
1 1 1 13 9  6  o 50.09000 0.7674000 1.413000       1.535000  
1 1 1 13 9  8  o 102.0000 1.530000  -1.227000      3.060000  
1 1 1 13 9  10 o 66.84000 0.9976000 0.2157000      1.995000  
1 1 1 13 9  12 o 84.84000 1.217000  0.4666000E-01  2.434000  
1 1 1 13 9  14 o 96.70000 1.389000  0.9423000      2.779000  
1 1 1 13 9  16 o 36.90000 0.9051000 -2.289000      1.810000  
1 1 1 13 9  18 o 132.2000 1.869000  3.459000       3.737000  
1 1 1 13 9  20 o 21.51000 0.7943000 -3.655000      1.589000  
1 1 1 13 9  22 o 77.60000 1.343000  -1.588000      2.686000  
1 1 1 13 9  24 o 67.03000 1.221000  0.3176000      2.443000  
1 1 1 13 9  26 o 58.38000 1.076000  -1.763000      2.153000  
1 1 1 13 9  28 o 53.44000 1.134000  3.080000       2.269000  
1 1 1 13 9  30 o 40.94000 1.015000  2.023000       2.030000  
1 1 1 13 9  32 o 26.27000 3.088000  3.570000       6.175000  
1 1 1 13 9  34 o 26.06000 3.354000  0.8051000      6.709000  
1 1 1 13 9  36 o 17.02000 1.810000  3.331000       3.620000  
1 1 1 13 9  38 o 23.26000 2.240000  2.970000       4.481000  
1 1 1 13 9  40 o 17.60000 2.495000  0.2627000      4.991000  
1 1 1 13 9  42 o 27.63000 1.487000  -1.335000      2.974000  
1 1 1 13 9  44 o 20.92000 1.939000  -1.956000      3.877000  
1 1 1 13 9  46 o 18.10000 3.104000  4.810000       6.208000  
1 1 1 13 10 1  o 27.27000 0.6570000 1.775000       1.314000  
1 1 1 13 10 3  o 146.4000 1.937000  -1.977000      3.873000  
1 1 1 13 10 5  o 57.29000 0.8775000 3.086000       1.755000  
1 1 1 13 10 7  o 47.58000 0.7622000 0.1259000      1.524000  
1 1 1 13 10 9  o 55.92000 0.9916000 0.5964000      1.983000  
1 1 1 13 10 11 o 93.61000 1.343000  -2.109000      2.685000  
1 1 1 13 10 13 o 85.65000 1.252000  1.816000       2.504000  
1 1 1 13 10 15 o 48.13000 1.071000  -2.200000      2.143000  
1 1 1 13 10 17 o 41.91000 0.8837000 2.575000       1.767000  
1 1 1 13 10 19 o 68.40000 1.076000  1.430000       2.153000  
1 1 1 13 10 21 o 91.80000 1.412000  2.808000       2.825000  
1 1 1 13 10 23 o 47.70000 1.004000  -1.464000      2.009000  
1 1 1 13 10 25 o 68.46000 1.256000  -2.735000      2.512000  
1 1 1 13 10 27 o 16.23000 1.387000  4.712000       2.773000  
1 1 1 13 10 29 o 63.97000 1.325000  -0.8988000E-01 2.650000  
1 1 1 13 10 31 o 15.83000 1.255000  -0.3013000     2.509000  
1 1 1 13 10 33 o 20.49000 3.512000  -3.390000      7.024000  
1 1 1 13 10 35 o 10.54000 2.240000  -4.211000      4.481000  
1 1 1 13 10 37 o 33.08000 1.508000  -0.1757000     3.016000  
1 1 1 13 10 39 f 21.52000 2.499000  0.5134000      4.999000  
1 1 1 13 10 41 f 20.37000 1.916000  1.302000       3.832000  
1 1 1 13 10 43 o 40.69000 1.428000  -0.3943000     2.856000  
1 1 1 13 10 45 o 7.142000 2.359000  -2.502000      4.717000  
1 1 1 13 10 47 o 5.796000 2.743000  ?              ?         
1 1 1 13 11 0  o 106.4000 1.957000  0.000000       0.000000  
1 1 1 13 11 2  f 112.4000 1.504000  -0.4407000     3.008000  
1 1 1 13 11 4  o 128.1000 1.713000  3.819000       3.426000  
1 1 1 13 11 6  o 113.5000 1.527000  2.686000       3.055000  
1 1 1 13 11 8  o 86.01000 1.193000  3.019000       2.386000  
1 1 1 13 11 10 f 53.48000 1.103000  0.8404000E-02  2.207000  
1 1 1 13 11 12 f 75.59000 1.440000  -0.2807000     2.881000  
1 1 1 13 11 14 o 45.72000 0.9923000 0.8371000      1.985000  
1 1 1 13 11 16 o 63.92000 1.106000  -2.240000      2.211000  
1 1 1 13 11 18 f 131.0000 1.853000  1.890000       3.705000  
1 1 1 13 11 20 o 44.90000 0.8411000 3.954000       1.682000  
1 1 1 13 11 22 o 7.702000 1.684000  -1.760000      3.368000  
1 1 1 13 11 24 o 29.34000 0.8561000 -2.440000      1.712000  
1 1 1 13 11 26 o 45.74000 0.9864000 -2.496000      1.973000  
1 1 1 13 11 28 o 15.32000 1.542000  1.274000       3.084000  
1 1 1 13 11 30 o 32.38000 0.9744000 1.267000       1.949000  
1 1 1 13 11 32 o 33.78000 2.640000  -3.043000      5.280000  
1 1 1 13 11 34 o 47.10000 2.230000  -1.820000      4.460000  
1 1 1 13 11 36 o 48.55000 1.352000  -3.324000      2.704000  
1 1 1 13 11 38 o 20.77000 2.927000  2.453000       5.854000  
1 1 1 13 11 40 f 26.54000 1.493000  3.162000       2.985000  
1 1 1 13 11 42 o 16.34000 2.192000  3.571000       4.385000  
1 1 1 13 11 44 o 8.883000 2.608000  -2.602000      5.217000  
1 1 1 13 11 46 o 28.27000 1.564000  3.539000       3.127000  
1 1 1 13 12 1  o 37.71000 0.6755000 0.8490000      1.351000  
1 1 1 13 12 3  o 72.29000 1.012000  -0.7417000     2.024000  
1 1 1 13 12 5  o 108.7000 1.470000  3.499000       2.940000  
1 1 1 13 12 7  o 154.6000 2.338000  -5.675000      4.676000  
1 1 1 13 12 9  o 26.51000 0.9938000 -4.851000      1.988000  
1 1 1 13 12 11 o 90.59000 1.515000  -4.136000      3.030000  
1 1 1 13 12 13 o 66.71000 1.252000  ?              ?         
1 1 1 13 12 15 o 29.24000 1.308000  -4.860000      2.615000  
1 1 1 13 12 17 o 91.69000 1.562000  1.558000       3.123000  
1 1 1 13 12 19 o 25.75000 1.080000  -3.023000      2.160000  
1 1 1 13 12 21 o 38.85000 0.8016000 0.1273000E-01  1.603000  
1 1 1 13 12 23 o 50.24000 0.8800000 -0.3723000     1.760000  
1 1 1 13 12 25 o 49.17000 1.018000  -4.125000      2.037000  
1 1 1 13 12 27 o 37.83000 0.9276000 -0.6355000E-01 1.855000  
1 1 1 13 12 29 o 45.15000 1.029000  2.463000       2.058000  
1 1 1 13 12 31 o 34.02000 2.841000  -0.5718000     5.683000  
1 1 1 13 12 33 o 29.43000 3.196000  -3.756000      6.393000  
1 1 1 13 12 35 o 44.30000 1.184000  -3.577000      2.368000  
1 1 1 13 12 37 f 40.98000 1.500000  -0.1766000     2.999000  
1 1 1 13 12 39 o 25.00000 1.680000  4.079000       3.359000  
1 1 1 13 12 41 o 9.867000 2.630000  -2.018000      5.261000  
1 1 1 13 12 43 o 30.04000 1.619000  -1.658000      3.238000  
1 1 1 13 12 45 o 24.84000 2.313000  8.746000       4.626000  
1 1 1 13 13 0  o 15.93000 1.510000  0.000000       0.000000  
1 1 1 13 13 2  o 17.87000 0.9275000 0.1262000      1.855000  
1 1 1 13 13 4  o 69.66000 1.176000  -1.568000      2.351000  
1 1 1 13 13 6  o 144.4000 2.282000  -4.250000      4.564000  
1 1 1 13 13 8  o 15.69000 1.738000  -7.058000      3.475000  
1 1 1 13 13 10 o 47.79000 0.9671000 -1.816000      1.934000  
1 1 1 13 13 12 o 36.30000 1.226000  ?              ?         
1 1 1 13 13 14 o 32.24000 1.180000  -4.691000      2.359000  
1 1 1 13 13 16 o 54.19000 1.125000  1.613000       2.250000  
1 1 1 13 13 18 o 63.09000 1.480000  -4.523000      2.960000  
1 1 1 13 13 20 o 49.91000 0.8447000 -5.631000      1.689000  
1 1 1 13 13 22 o 6.380000 1.755000  -1.708000      3.510000  
1 1 1 13 13 24 o 61.89000 1.062000  1.144000       2.125000  
1 1 1 13 13 26 f 23.50000 0.9407000 5.851000       1.881000  
1 1 1 13 13 28 o 19.77000 1.251000  3.215000       2.502000  
1 1 1 13 13 30 o 40.10000 3.261000  3.486000       6.522000  
1 1 1 13 13 32 o 15.66000 3.279000  -0.7501000     6.557000  
1 1 1 13 13 34 o 34.35000 1.103000  -1.150000      2.205000  
1 1 1 13 13 36 o 9.845000 2.563000  -0.7831000     5.125000  
1 1 1 13 13 38 o 7.937000 2.410000  1.248000       4.820000  
1 1 1 13 13 40 o 40.37000 1.491000  3.892000       2.982000  
1 1 1 13 13 42 o 15.92000 2.604000  5.999000       5.209000  
1 1 1 13 13 44 o 10.88000 2.673000  -1.430000      5.346000  
1 1 1 13 13 46 o 10.79000 3.092000  1.843000       6.183000  
1 1 1 13 14 1  o 50.40000 0.8412000 2.299000       1.682000  
1 1 1 13 14 3  o 36.22000 0.8019000 -0.6399000     1.604000  
1 1 1 13 14 5  o 57.52000 0.9867000 -3.131000      1.973000  
1 1 1 13 14 7  o 35.15000 1.008000  1.037000       2.016000  
1 1 1 13 14 9  o 54.05000 1.095000  3.008000       2.190000  
1 1 1 13 14 11 o 72.50000 1.633000  6.109000       3.267000  
1 1 1 13 14 13 o 46.12000 1.264000  ?              ?         
1 1 1 13 14 15 f 66.18000 1.250000  1.230000       2.499000  
1 1 1 13 14 17 o 108.7000 1.873000  -3.886000      3.746000  
1 1 1 13 14 19 o 14.59000 1.199000  1.801000       2.399000  
1 1 1 13 14 21 o 51.14000 0.9976000 1.748000       1.995000  
1 1 1 13 14 23 o 81.30000 1.432000  -1.355000      2.864000  
1 1 1 13 14 25 o 97.76000 1.628000  3.962000       3.255000  
1 1 1 13 14 27 o 17.87000 1.079000  -1.738000      2.158000  
1 1 1 13 14 29 o 9.312000 1.779000  2.176000       3.558000  
1 1 1 13 14 31 o 32.53000 2.481000  6.515000       4.961000  
1 1 1 13 14 33 o 24.28000 3.357000  0.9768000      6.714000  
1 1 1 13 14 35 o 6.427000 2.073000  -1.424000      4.145000  
1 1 1 13 14 37 o 33.23000 1.630000  -0.4865000     3.259000  
1 1 1 13 14 39 o 21.15000 1.813000  -3.514000      3.626000  
1 1 1 13 14 41 o 10.40000 2.733000  -3.825000      5.465000  
1 1 1 13 14 43 o 30.35000 1.469000  1.877000       2.938000  
1 1 1 13 14 45 o 23.99000 1.996000  -4.310000      3.991000  
1 1 1 13 15 0  o 224.5000 4.071000  0.000000       0.000000  
1 1 1 13 15 2  o 202.4000 2.603000  4.104000       5.206000  
1 1 1 13 15 4  o 74.92000 1.087000  0.1429000      2.173000  
1 1 1 13 15 6  f 129.0000 1.752000  -2.114000      3.503000  
1 1 1 13 15 8  f 35.07000 1.193000  -3.082000      2.386000  
1 1 1 13 15 10 o 149.2000 2.036000  -0.1525000     4.072000  
1 1 1 13 15 12 o 26.29000 1.439000  2.821000       2.877000  
1 1 1 13 15 14 o 74.04000 1.500000  -0.4804000     3.000000  
1 1 1 13 15 16 o 51.25000 1.041000  1.330000       2.082000  
1 1 1 13 15 18 f 63.25000 1.285000  -4.506000      2.570000  
1 1 1 13 15 20 o 56.82000 1.073000  0.5888000      2.146000  
1 1 1 13 15 22 o 15.18000 1.529000  -0.1838000     3.058000  
1 1 1 13 15 24 o 22.29000 3.248000  -8.622000      6.496000  
1 1 1 13 15 26 f 52.30000 1.120000  -4.479000      2.240000  
1 1 1 13 15 28 f 43.16000 2.176000  5.325000       4.352000  
1 1 1 13 15 30 o 11.61000 3.077000  1.887000       6.154000  
1 1 1 13 15 32 o 15.85000 3.331000  2.625000       6.661000  
1 1 1 13 15 34 o 7.171000 2.109000  -2.452000      4.218000  
1 1 1 13 15 36 o 27.50000 2.036000  -6.628000      4.072000  
1 1 1 13 15 38 o 15.00000 2.192000  2.311000       4.384000  
1 1 1 13 15 40 o 27.46000 1.771000  -5.390000      3.543000  
1 1 1 13 15 42 o 20.47000 1.919000  0.1366000      3.838000  
1 1 1 13 15 44 f 44.77000 1.450000  6.041000       2.900000  
1 1 1 13 16 1  o 32.64000 1.223000  1.713000       2.446000  
1 1 1 13 16 3  o 29.00000 1.147000  -0.5469000     2.294000  
1 1 1 13 16 5  o 35.74000 1.180000  0.1650000      2.361000  
1 1 1 13 16 7  o 22.13000 2.016000  -1.896000      4.033000  
1 1 1 13 16 9  f 66.71000 1.544000  -6.379000      3.088000  
1 1 1 13 16 11 o 55.90000 1.266000  0.2646000      2.531000  
1 1 1 13 16 13 o 55.74000 1.311000  2.717000       2.622000  
1 1 1 13 16 15 o 126.2000 2.068000  -7.491000      4.136000  
1 1 1 13 16 17 o 91.19000 1.612000  4.949000       3.223000  
1 1 1 13 16 19 o 40.65000 1.102000  -3.419000      2.203000  
1 1 1 13 16 21 o 22.05000 1.129000  -2.620000      2.257000  
1 1 1 13 16 23 o 15.78000 1.412000  0.2382000      2.823000  
1 1 1 13 16 25 o 21.57000 0.8748000 1.170000       1.750000  
1 1 1 13 16 27 o 17.88000 1.075000  -1.577000      2.150000  
1 1 1 13 16 29 o 20.72000 3.092000  -0.7437000     6.184000  
1 1 1 13 16 31 f 35.27000 2.249000  0.1745000E-01  4.499000  
1 1 1 13 16 33 o 50.17000 1.890000  -1.339000      3.780000  
1 1 1 13 16 35 o 51.18000 1.484000  1.313000       2.967000  
1 1 1 13 16 37 o 47.24000 1.385000  -2.232000      2.769000  
1 1 1 13 16 39 o 44.36000 1.332000  -0.4162000     2.663000  
1 1 1 13 16 41 o 13.41000 2.484000  1.417000       4.968000  
1 1 1 13 16 43 o 9.142000 2.606000  -1.600000      5.213000  
1 1 1 13 16 45 o 9.226000 2.946000  4.298000       5.892000  
1 1 1 13 17 0  o 14.76000 3.616000  0.000000       0.000000  
1 1 1 13 17 2  o 10.95000 2.854000  -4.039000      5.708000  
1 1 1 13 17 4  o 11.04000 3.070000  -0.6940000     6.141000  
1 1 1 13 17 6  o 96.43000 2.235000  2.429000       4.469000  
1 1 1 13 17 8  o 86.42000 1.661000  -1.363000      3.321000  
1 1 1 13 17 10 o 80.54000 1.555000  1.103000       3.110000  
1 1 1 13 17 12 o 11.88000 2.169000  0.6319000      4.338000  
1 1 1 13 17 14 o 48.30000 1.603000  -4.845000      3.205000  
1 1 1 13 17 16 o 35.64000 1.783000  4.595000       3.566000  
1 1 1 13 17 18 f 90.35000 1.558000  5.843000       3.116000  
1 1 1 13 17 20 o 52.18000 1.139000  -0.2764000     2.277000  
1 1 1 13 17 22 o 38.69000 1.038000  -0.5970000     2.077000  
1 1 1 13 17 24 o 23.83000 0.9676000 -0.5808000     1.935000  
1 1 1 13 17 26 o 40.62000 1.032000  0.9223000      2.065000  
1 1 1 13 17 28 o 33.37000 0.9492000 1.946000       1.898000  
1 1 1 13 17 30 o 12.33000 3.324000  4.114000       6.648000  
1 1 1 13 17 32 o 40.60000 3.287000  -1.599000      6.574000  
1 1 1 13 17 34 o 19.65000 3.077000  -13.91000      6.154000  
1 1 1 13 17 36 o 26.60000 3.180000  -17.10000      6.360000  
1 1 1 13 17 38 o 15.45000 3.730000  6.620000       7.460000  
1 1 1 13 17 40 f 12.48000 3.101000  0.4777000      6.203000  
1 1 1 13 17 42 o 11.86000 3.109000  1.758000       6.217000  
1 1 1 13 17 44 o 24.18000 2.300000  7.915000       4.600000  
1 1 1 13 18 1  o 53.97000 1.694000  1.534000       3.388000  
1 1 1 13 18 3  o 119.5000 1.886000  -1.475000      3.772000  
1 1 1 13 18 5  o 104.9000 1.717000  -3.617000      3.435000  
1 1 1 13 18 7  o 135.8000 2.334000  1.162000       4.668000  
1 1 1 13 18 9  o 110.7000 1.749000  -2.544000      3.498000  
1 1 1 13 18 11 o 55.63000 1.290000  -1.655000      2.580000  
1 1 1 13 18 13 o 73.21000 1.380000  0.5828000      2.759000  
1 1 1 13 18 15 o 25.39000 1.240000  0.4363000E-01  2.479000  
1 1 1 13 18 17 o 79.65000 2.022000  5.761000       4.043000  
1 1 1 13 18 19 o 86.32000 1.403000  5.431000       2.806000  
1 1 1 13 18 21 o 12.26000 1.900000  -0.2019000     3.800000  
1 1 1 13 18 23 o 13.10000 1.861000  -0.3264000     3.723000  
1 1 1 13 18 25 o 51.37000 1.048000  0.8146000      2.097000  
1 1 1 13 18 27 o 31.60000 0.9565000 2.465000       1.913000  
1 1 1 13 18 29 o 29.30000 0.8534000 -1.887000      1.707000  
1 1 1 13 18 31 o 50.34000 1.781000  -0.8374000     3.562000  
1 1 1 13 18 33 o 20.33000 3.182000  -12.66000      6.363000  
1 1 1 13 18 35 o 37.34000 3.626000  -7.837000      7.251000  
1 1 1 13 18 37 o 20.16000 3.537000  -1.828000      7.073000  
1 1 1 13 18 39 o 27.79000 2.465000  5.524000       4.930000  
1 1 1 13 18 41 o 26.13000 3.284000  -5.149000      6.568000  
1 1 1 13 18 43 o 14.02000 2.870000  -7.049000      5.740000  
1 1 1 13 19 0  o 108.1000 2.453000  0.000000       0.000000  
1 1 1 13 19 2  o 31.81000 1.743000  -0.8440000     3.486000  
1 1 1 13 19 4  o 58.86000 1.651000  -4.584000      3.303000  
1 1 1 13 19 6  o 122.8000 2.571000  0.3502000      5.141000  
1 1 1 13 19 8  o 119.0000 2.059000  5.108000       4.118000  
1 1 1 13 19 10 o 115.7000 1.990000  3.243000       3.981000  
1 1 1 13 19 12 o 91.45000 1.542000  -2.429000      3.085000  
1 1 1 13 19 14 o 29.87000 1.284000  -1.899000      2.568000  
1 1 1 13 19 16 o 15.84000 2.366000  -3.003000      4.731000  
1 1 1 13 19 18 o 76.51000 1.576000  2.179000       3.151000  
1 1 1 13 19 20 o 11.00000 2.221000  -1.660000      4.442000  
1 1 1 13 19 22 o 61.55000 1.712000  -0.6816000     3.424000  
1 1 1 13 19 24 o 91.05000 1.428000  1.219000       2.855000  
1 1 1 13 19 26 o 35.13000 1.005000  -3.007000      2.010000  
1 1 1 13 19 28 o 17.18000 1.151000  1.666000       2.302000  
1 1 1 13 19 30 o 50.34000 1.040000  0.3158000      2.081000  
1 1 1 13 19 32 o 28.15000 3.432000  -14.07000      6.864000  
1 1 1 13 19 34 o 59.29000 2.541000  -4.769000      5.083000  
1 1 1 13 19 36 o 25.63000 3.547000  -1.939000      7.093000  
1 1 1 13 19 38 o 10.87000 3.064000  2.765000       6.129000  
1 1 1 13 19 40 o 23.54000 3.887000  2.902000       7.774000  
1 1 1 13 19 42 o 17.39000 3.466000  -1.609000      6.933000  
1 1 1 13 20 1  o 71.51000 1.621000  -2.220000      3.242000  
1 1 1 13 20 3  o 93.14000 1.661000  -6.927000      3.323000  
1 1 1 13 20 5  o 95.75000 1.671000  -0.3240000     3.341000  
1 1 1 13 20 7  o 84.86000 2.062000  -3.401000      4.124000  
1 1 1 13 20 9  o 109.1000 1.597000  -2.435000      3.194000  
1 1 1 13 20 11 o 82.64000 1.283000  1.762000       2.567000  
1 1 1 13 20 13 f 27.43000 1.299000  -0.1929000     2.599000  
1 1 1 13 20 15 o 55.60000 1.273000  -0.4160000     2.546000  
1 1 1 13 20 17 o 65.44000 1.195000  -3.832000      2.390000  
1 1 1 13 20 19 o 13.96000 3.167000  3.251000       6.333000  
1 1 1 13 20 21 f 31.93000 1.136000  -6.257000      2.273000  
1 1 1 13 20 23 o 20.46000 1.311000  5.339000       2.621000  
1 1 1 13 20 25 o 12.69000 1.770000  -4.046000      3.541000  
1 1 1 13 20 27 f 41.69000 0.9685000 2.786000       1.937000  
1 1 1 13 20 29 o 38.51000 0.9623000 3.285000       1.925000  
1 1 1 13 20 31 o 26.90000 0.9895000 -2.836000      1.979000  
1 1 1 13 20 33 o 61.56000 1.779000  -2.089000      3.557000  
1 1 1 13 20 35 o 12.32000 3.768000  6.170000       7.535000  
1 1 1 13 20 37 o 32.59000 2.663000  -1.100000      5.327000  
1 1 1 13 20 39 o 32.02000 4.152000  -13.99000      8.304000  
1 1 1 13 20 41 o 18.15000 3.018000  -8.402000      6.037000  
1 1 1 13 20 43 o 12.95000 3.303000  -2.195000      6.606000  
1 1 1 13 21 0  o 102.8000 2.858000  0.000000       0.000000  
1 1 1 13 21 2  o 87.86000 1.727000  -1.079000      3.454000  
1 1 1 13 21 4  o 94.57000 1.503000  -1.099000      3.005000  
1 1 1 13 21 6  o 21.29000 1.790000  4.408000       3.581000  
1 1 1 13 21 8  o 50.98000 1.069000  -2.441000      2.138000  
1 1 1 13 21 10 o 70.37000 1.213000  2.807000       2.426000  
1 1 1 13 21 12 o 92.35000 1.423000  -0.2464000     2.847000  
1 1 1 13 21 14 o 36.36000 1.144000  1.566000       2.287000  
1 1 1 13 21 16 o 32.85000 1.302000  0.5175000      2.603000  
1 1 1 13 21 18 o 11.26000 2.303000  -2.186000      4.605000  
1 1 1 13 21 20 o 25.55000 2.933000  -4.176000      5.867000  
1 1 1 13 21 22 o 34.68000 1.148000  ?              ?         
1 1 1 13 21 24 o 29.86000 1.079000  2.711000       2.159000  
1 1 1 13 21 26 o 89.16000 1.362000  1.484000       2.724000  
1 1 1 13 21 28 o 45.16000 1.058000  -2.197000      2.116000  
1 1 1 13 21 30 o 49.02000 1.088000  0.2261000      2.176000  
1 1 1 13 21 32 o 24.69000 3.510000  -15.81000      7.020000  
1 1 1 13 21 34 o 59.28000 2.306000  -3.593000      4.611000  
1 1 1 13 21 36 o 28.99000 3.848000  7.892000       7.697000  
1 1 1 13 21 38 o 24.86000 3.715000  -5.762000      7.430000  
1 1 1 13 21 40 o 25.20000 3.223000  -11.72000      6.446000  
1 1 1 13 21 42 o 36.72000 1.707000  6.844000       3.413000  
1 1 1 13 22 1  o 44.20000 1.280000  1.318000       2.559000  
1 1 1 13 22 3  o 29.34000 1.146000  -1.261000      2.291000  
1 1 1 13 22 5  f 21.75000 1.704000  2.421000       3.408000  
1 1 1 13 22 7  o 48.50000 1.067000  -3.068000      2.133000  
1 1 1 13 22 9  o 29.20000 1.257000  0.5653000      2.515000  
1 1 1 13 22 11 o 40.58000 1.076000  -0.6172000     2.152000  
1 1 1 13 22 13 o 24.50000 1.426000  -0.4348000     2.853000  
1 1 1 13 22 15 o 67.37000 1.240000  -2.504000      2.480000  
1 1 1 13 22 17 o 27.70000 1.361000  1.141000       2.722000  
1 1 1 13 22 19 o 15.73000 2.089000  -0.4378000     4.177000  
1 1 1 13 22 21 o 47.27000 1.067000  -0.6144000     2.134000  
1 1 1 13 22 23 o 23.78000 3.054000  1.025000       6.107000  
1 1 1 13 22 25 o 44.93000 1.112000  -3.953000      2.223000  
1 1 1 13 22 27 o 36.37000 1.048000  0.8915000      2.096000  
1 1 1 13 22 29 o 47.94000 1.086000  0.3269000      2.172000  
1 1 1 13 22 31 o 15.70000 1.849000  -7.223000      3.698000  
1 1 1 13 22 33 o 30.16000 2.738000  1.106000       5.477000  
1 1 1 13 22 35 o 14.85000 4.525000  11.19000       9.050000  
1 1 1 13 22 37 o 26.34000 3.761000  -15.90000      7.522000  
1 1 1 13 22 39 o 18.39000 4.261000  4.152000       8.521000  
1 1 1 13 22 41 o 14.39000 3.084000  -3.319000      6.168000  
1 1 1 13 23 0  o 75.90000 1.899000  0.000000       0.000000  
1 1 1 13 23 2  o 40.95000 1.253000  2.278000       2.506000  
1 1 1 13 23 4  o 113.7000 1.544000  2.566000       3.089000  
1 1 1 13 23 6  o 31.45000 1.352000  -1.868000      2.704000  
1 1 1 13 23 8  o 37.67000 1.182000  -1.730000      2.363000  
1 1 1 13 23 10 o 40.64000 1.479000  -4.169000      2.958000  
1 1 1 13 23 12 o 57.26000 1.134000  0.3936000E-01  2.268000  
1 1 1 13 23 14 o 67.85000 1.465000  -3.747000      2.930000  
1 1 1 13 23 16 o 45.91000 1.176000  -2.502000      2.352000  
1 1 1 13 23 18 o 20.07000 1.729000  -1.789000      3.459000  
1 1 1 13 23 20 o 38.58000 1.177000  2.333000       2.355000  
1 1 1 13 23 22 o 44.27000 1.189000  -0.6282000     2.379000  
1 1 1 13 23 24 o 42.12000 2.051000  1.142000       4.101000  
1 1 1 13 23 26 o 55.14000 1.297000  3.717000       2.594000  
1 1 1 13 23 28 o 46.03000 1.190000  -0.2132000E-01 2.379000  
1 1 1 13 23 30 o 44.13000 1.420000  -0.2752000     2.839000  
1 1 1 13 23 32 o 41.00000 1.619000  ?              ?         
1 1 1 13 23 34 o 36.26000 5.135000  6.103000       10.27000  
1 1 1 13 23 36 o 22.42000 3.868000  5.393000       7.737000  
1 1 1 13 23 38 o 32.03000 3.501000  -9.853000      7.001000  
1 1 1 13 23 40 o 15.22000 3.129000  -6.494000      6.259000  
1 1 1 13 24 1  o 76.43000 1.552000  6.363000       3.105000  
1 1 1 13 24 3  o 80.50000 1.322000  2.569000       2.644000  
1 1 1 13 24 5  o 46.93000 1.235000  1.726000       2.470000  
1 1 1 13 24 7  o 17.00000 2.517000  -1.195000      5.035000  
1 1 1 13 24 9  o 33.41000 1.368000  -2.442000      2.737000  
1 1 1 13 24 11 o 47.17000 1.179000  0.4267000      2.359000  
1 1 1 13 24 13 o 25.81000 2.078000  1.584000       4.156000  
1 1 1 13 24 15 o 14.03000 2.442000  2.887000       4.883000  
1 1 1 13 24 17 o 50.59000 1.227000  2.203000       2.454000  
1 1 1 13 24 19 o 47.26000 1.284000  -1.407000      2.568000  
1 1 1 13 24 21 o 35.34000 1.283000  0.4615000      2.565000  
1 1 1 13 24 23 o 39.93000 1.261000  3.847000       2.523000  
1 1 1 13 24 25 o 35.37000 4.630000  6.063000       9.259000  
1 1 1 13 24 27 o 28.30000 1.322000  1.523000       2.644000  
1 1 1 13 24 29 o 8.603000 2.471000  -2.832000      4.943000  
1 1 1 13 24 31 o 6.125000 2.051000  0.6472000      4.102000  
1 1 1 13 24 33 o 32.99000 4.391000  -5.148000      8.782000  
1 1 1 13 24 35 o 22.78000 4.903000  3.731000       9.805000  
1 1 1 13 24 37 o 23.27000 3.493000  -11.74000      6.985000  
1 1 1 13 24 39 o 21.07000 4.409000  -5.056000      8.819000  
1 1 1 13 24 41 o 11.35000 4.153000  ?              ?         
1 1 1 13 25 0  o 8.994000 4.005000  0.000000       0.000000  
1 1 1 13 25 2  o 33.90000 1.397000  0.1761000      2.795000  
1 1 1 13 25 4  o 69.19000 1.297000  1.915000       2.594000  
1 1 1 13 25 6  o 39.01000 1.479000  -0.5724000     2.959000  
1 1 1 13 25 8  o 19.75000 2.579000  -0.4489000     5.159000  
1 1 1 13 25 10 o 74.58000 1.255000  2.950000       2.510000  
1 1 1 13 25 12 o 42.97000 1.272000  -3.398000      2.543000  
1 1 1 13 25 14 o 17.55000 2.451000  -2.489000      4.901000  
1 1 1 13 25 16 o 28.27000 1.489000  -3.776000      2.977000  
1 1 1 13 25 18 o 19.19000 2.346000  -1.418000      4.692000  
1 1 1 13 25 20 o 28.05000 1.691000  -2.277000      3.382000  
1 1 1 13 25 22 o 15.62000 2.356000  -3.621000      4.713000  
1 1 1 13 25 24 o 44.15000 1.319000  -0.3423000E-01 2.638000  
1 1 1 13 25 26 o 16.22000 4.131000  3.978000       8.261000  
1 1 1 13 25 28 o 22.54000 2.220000  -4.812000      4.440000  
1 1 1 13 25 30 o 8.346000 2.834000  2.945000       5.668000  
1 1 1 13 25 32 o 18.70000 1.694000  -4.950000      3.388000  
1 1 1 13 25 34 o 14.63000 1.895000  -1.965000      3.790000  
1 1 1 13 25 36 o 28.50000 5.202000  -4.988000      10.40000  
1 1 1 13 25 38 o 14.90000 3.287000  -8.211000      6.575000  
1 1 1 13 25 40 o 12.70000 3.206000  -1.867000      6.412000  
1 1 1 13 26 1  o 48.03000 1.322000  -2.312000      2.645000  
1 1 1 13 26 3  o 24.21000 2.079000  -1.105000      4.158000  
1 1 1 13 26 5  o 12.66000 3.079000  1.423000       6.158000  
1 1 1 13 26 7  o 58.34000 1.287000  -0.2948000     2.574000  
1 1 1 13 26 9  o 13.76000 2.878000  -1.655000      5.755000  
1 1 1 13 26 11 o 31.60000 1.641000  4.093000       3.282000  
1 1 1 13 26 13 o 32.73000 1.536000  1.691000       3.073000  
1 1 1 13 26 15 o 32.52000 1.715000  -5.970000      3.429000  
1 1 1 13 26 17 o 34.07000 1.770000  1.507000       3.541000  
1 1 1 13 26 19 o 58.98000 1.367000  -1.609000      2.733000  
1 1 1 13 26 21 o 27.36000 1.722000  -4.252000      3.445000  
1 1 1 13 26 23 o 51.20000 1.482000  -1.926000      2.964000  
1 1 1 13 26 25 o 33.31000 1.472000  1.544000       2.944000  
1 1 1 13 26 29 o 6.147000 3.076000  ?              ?         
1 1 1 13 26 31 o 15.28000 2.384000  -3.202000      4.767000  
1 1 1 13 26 33 o 20.30000 1.540000  -6.662000      3.080000  
1 1 1 13 26 35 o 29.26000 4.631000  4.300000       9.261000  
1 1 1 13 26 37 o 11.16000 2.992000  -0.2772000     5.985000  
1 1 1 13 26 39 o 30.88000 1.888000  ?              ?         
1 1 1 13 27 0  o 10.32000 4.196000  0.000000       0.000000  
1 1 1 13 27 2  o 54.48000 1.273000  1.986000       2.546000  
1 1 1 13 27 4  o 68.47000 1.426000  -2.331000      2.852000  
1 1 1 13 27 6  o 32.05000 1.651000  0.4916000E-01  3.301000  
1 1 1 13 27 8  o 79.51000 1.407000  3.468000       2.814000  
1 1 1 13 27 10 o 55.03000 1.284000  -4.602000      2.568000  
1 1 1 13 27 12 o 42.00000 1.820000  -5.027000      3.641000  
1 1 1 13 27 14 f 32.27000 1.633000  0.6396000      3.266000  
1 1 1 13 27 16 o 32.41000 1.538000  1.032000       3.076000  
1 1 1 13 27 18 o 26.30000 2.421000  -7.328000      4.843000  
1 1 1 13 27 20 o 30.85000 1.707000  -3.796000      3.414000  
1 1 1 13 27 22 o 14.45000 2.728000  0.7899000      5.457000  
1 1 1 13 27 24 o 11.98000 2.617000  -2.319000      5.234000  
1 1 1 13 27 28 o 23.76000 3.317000  0.8880000      6.635000  
1 1 1 13 27 30 o 25.06000 1.786000  5.414000       3.572000  
1 1 1 13 27 32 o 57.97000 2.961000  -8.673000      5.923000  
1 1 1 13 27 34 f 11.07000 2.436000  -1.465000      4.871000  
1 1 1 13 27 36 o 10.47000 3.000000  0.5884000      6.001000  
1 1 1 13 27 38 o 36.33000 1.832000  -1.129000      3.664000  
1 1 1 13 28 1  o 44.52000 1.428000  0.6046000      2.856000  
1 1 1 13 28 3  o 54.63000 1.379000  0.3948000      2.758000  
1 1 1 13 28 5  o 52.27000 1.441000  -1.642000      2.881000  
1 1 1 13 28 7  f 52.48000 1.428000  0.2261000      2.857000  
1 1 1 13 28 9  o 37.57000 1.515000  3.282000       3.030000  
1 1 1 13 28 11 o 16.75000 3.894000  2.790000       7.788000  
1 1 1 13 28 13 o 9.699000 2.905000  -0.5935000     5.811000  
1 1 1 13 28 15 o 53.08000 1.320000  2.654000       2.640000  
1 1 1 13 28 17 o 14.23000 2.908000  -1.310000      5.815000  
1 1 1 13 28 19 o 29.35000 1.693000  1.004000       3.387000  
1 1 1 13 28 21 o 13.70000 2.858000  3.978000       5.716000  
1 1 1 13 28 23 o 27.76000 2.336000  2.133000       4.672000  
1 1 1 13 28 25 o 35.86000 2.080000  -3.995000      4.161000  
1 1 1 13 28 27 o 7.810000 2.970000  6.547000       5.939000  
1 1 1 13 28 29 o 22.08000 4.160000  -3.925000      8.319000  
1 1 1 13 28 31 o 12.94000 2.324000  -6.981000      4.649000  
1 1 1 13 28 33 o 21.86000 1.777000  -2.239000      3.555000  
1 1 1 13 28 35 o 13.10000 2.284000  -2.636000      4.567000  
1 1 1 13 28 37 o 36.99000 1.974000  -0.2800000     3.947000  
1 1 1 13 29 0  o 42.97000 2.081000  0.000000       0.000000  
1 1 1 13 29 2  o 36.84000 1.839000  -2.495000      3.679000  
1 1 1 13 29 4  o 56.12000 1.344000  3.444000       2.688000  
1 1 1 13 29 6  o 37.74000 1.783000  1.585000       3.566000  
1 1 1 13 29 8  o 14.19000 3.383000  0.6578000E-01  6.766000  
1 1 1 13 29 10 o 20.52000 2.748000  1.287000       5.496000  
1 1 1 13 29 12 o 10.94000 3.069000  -2.499000      6.139000  
1 1 1 13 29 14 o 36.63000 1.547000  -5.988000      3.094000  
1 1 1 13 29 16 o 17.21000 2.806000  5.595000       5.612000  
1 1 1 13 29 18 o 25.17000 2.369000  3.290000       4.738000  
1 1 1 13 29 20 o 15.76000 2.739000  3.048000       5.478000  
1 1 1 13 29 22 o 7.999000 2.611000  5.133000       5.222000  
1 1 1 13 29 24 o 89.32000 2.625000  ?              ?         
1 1 1 13 29 26 o 8.461000 2.834000  7.002000       5.668000  
1 1 1 13 29 28 o 35.56000 1.714000  0.2212000      3.428000  
1 1 1 13 29 30 f 18.62000 3.905000  -4.939000      7.810000  
1 1 1 13 29 32 o 26.55000 1.695000  1.824000       3.390000  
1 1 1 13 29 34 o 7.957000 2.389000  0.5169000      4.778000  
1 1 1 13 29 36 o 39.21000 1.797000  5.082000       3.594000  
1 1 1 13 30 1  o 13.65000 3.354000  0.5467000      6.707000  
1 1 1 13 30 3  o 14.41000 3.264000  -5.212000      6.527000  
1 1 1 13 30 5  o 18.67000 2.956000  5.721000       5.912000  
1 1 1 13 30 7  o 20.44000 2.696000  4.313000       5.391000  
1 1 1 13 30 9  o 11.45000 3.232000  0.8825000      6.465000  
1 1 1 13 30 11 o 23.83000 2.336000  -1.649000      4.672000  
1 1 1 13 30 13 o 47.57000 1.445000  3.968000       2.889000  
1 1 1 13 30 15 o 12.68000 3.279000  -1.518000      6.558000  
1 1 1 13 30 17 o 13.62000 3.442000  0.2983000      6.885000  
1 1 1 13 30 19 o 32.91000 1.993000  0.3779000      3.985000  
1 1 1 13 30 21 o 9.831000 4.685000  ?              ?         
1 1 1 13 30 23 o 45.77000 1.899000  6.718000       3.799000  
1 1 1 13 30 25 o 8.618000 2.683000  5.322000       5.365000  
1 1 1 13 30 27 o 21.85000 2.699000  -6.148000      5.397000  
1 1 1 13 30 29 o 10.90000 2.891000  3.083000       5.783000  
1 1 1 13 30 31 o 25.85000 3.597000  -8.925000      7.193000  
1 1 1 13 30 33 o 8.522000 2.545000  0.4968000      5.089000  
1 1 1 13 30 35 o 38.26000 2.096000  2.089000       4.192000  
1 1 1 13 31 0  o 19.40000 3.950000  0.000000       0.000000  
1 1 1 13 31 2  o 18.73000 3.303000  -0.7459000     6.606000  
1 1 1 13 31 4  o 52.62000 1.465000  -1.440000      2.930000  
1 1 1 13 31 6  o 31.69000 1.923000  2.710000       3.846000  
1 1 1 13 31 8  o 73.72000 1.401000  -1.238000      2.802000  
1 1 1 13 31 10 o 58.21000 1.712000  -9.401000      3.425000  
1 1 1 13 31 12 o 25.06000 2.496000  -6.619000      4.993000  
1 1 1 13 31 14 o 54.96000 1.528000  4.608000       3.057000  
1 1 1 13 31 16 o 67.02000 1.611000  1.722000       3.221000  
1 1 1 13 31 18 o 9.783000 2.995000  0.4401000E-02  5.991000  
1 1 1 13 31 22 o 6.237000 2.195000  0.9581000E-01  4.391000  
1 1 1 13 31 24 o 12.79000 3.226000  0.3415000E-01  6.451000  
1 1 1 13 31 26 o 48.36000 1.678000  -3.372000      3.355000  
1 1 1 13 31 28 o 14.19000 2.786000  -2.074000      5.572000  
1 1 1 13 31 30 o 33.60000 1.921000  -9.306000      3.842000  
1 1 1 13 31 32 o 15.38000 3.078000  1.626000       6.155000  
1 1 1 13 31 34 o 22.84000 2.942000  10.60000       5.884000  
1 1 1 13 32 1  o 23.73000 2.543000  -5.698000      5.086000  
1 1 1 13 32 3  o 28.45000 2.224000  1.569000       4.448000  
1 1 1 13 32 5  o 34.73000 2.117000  -0.6290000     4.234000  
1 1 1 13 32 7  o 31.79000 2.109000  1.135000       4.217000  
1 1 1 13 32 9  o 33.96000 2.806000  1.314000       5.613000  
1 1 1 13 32 11 o 47.10000 1.613000  -2.271000      3.227000  
1 1 1 13 32 13 o 35.25000 2.192000  -4.430000      4.384000  
1 1 1 13 32 15 o 30.29000 2.175000  1.728000       4.349000  
1 1 1 13 32 17 o 8.304000 2.763000  -0.1219000E-01 5.526000  
1 1 1 13 32 19 o 65.02000 1.977000  1.164000       3.955000  
1 1 1 13 32 21 o 8.143000 3.820000  ?              ?         
1 1 1 13 32 23 o 15.83000 3.372000  1.002000       6.744000  
1 1 1 13 32 25 o 30.71000 2.504000  -1.922000      5.008000  
1 1 1 13 32 27 o 15.06000 3.154000  6.212000       6.309000  
1 1 1 13 32 29 o 15.03000 4.063000  4.772000       8.126000  
1 1 1 13 32 31 o 11.88000 3.300000  0.9130000      6.600000  
1 1 1 13 32 33 o 40.53000 1.306000  ?              ?         
1 1 1 13 33 0  o 19.08000 5.599000  0.000000       0.000000  
1 1 1 13 33 2  o 15.06000 3.770000  -2.366000      7.539000  
1 1 1 13 33 4  o 14.35000 4.157000  -8.302000      8.315000  
1 1 1 13 33 6  o 32.84000 2.130000  1.461000       4.260000  
1 1 1 13 33 8  o 31.68000 2.185000  -5.678000      4.370000  
1 1 1 13 33 10 o 32.67000 2.146000  1.097000       4.292000  
1 1 1 13 33 12 o 18.46000 3.720000  0.1454000      7.440000  
1 1 1 13 33 14 o 7.869000 2.650000  -0.3391000     5.301000  
1 1 1 13 33 16 o 9.858000 4.917000  ?              ?         
1 1 1 13 33 18 o 20.66000 2.878000  3.981000       5.757000  
1 1 1 13 33 20 o 7.914000 2.430000  4.721000       4.861000  
1 1 1 13 33 22 o 15.57000 3.579000  2.476000       7.157000  
1 1 1 13 33 24 o 10.63000 3.049000  2.519000       6.097000  
1 1 1 13 33 26 o 18.24000 2.982000  -3.424000      5.964000  
1 1 1 13 33 28 o 22.63000 2.777000  -1.170000      5.554000  
1 1 1 13 33 30 o 13.30000 2.881000  9.841000       5.763000  
1 1 1 13 33 32 o 32.36000 1.557000  ?              ?         
1 1 1 13 34 1  o 23.10000 3.567000  0.6303000      7.135000  
1 1 1 13 34 3  o 35.99000 2.474000  3.982000       4.949000  
1 1 1 13 34 5  o 31.49000 2.950000  1.094000       5.900000  
1 1 1 13 34 7  f 26.25000 3.657000  1.078000       7.314000  
1 1 1 13 34 9  o 16.87000 3.110000  1.812000       6.220000  
1 1 1 13 34 11 f 23.95000 3.201000  7.680000       6.403000  
1 1 1 13 34 15 o 51.78000 1.705000  -1.313000      3.410000  
1 1 1 13 34 17 o 7.822000 2.595000  1.289000       5.190000  
1 1 1 13 34 19 o 22.06000 3.849000  -0.3259000E-01 7.699000  
1 1 1 13 34 21 o 10.92000 3.439000  -1.023000      6.879000  
1 1 1 13 34 23 o 34.39000 2.625000  2.261000       5.251000  
1 1 1 13 34 25 o 31.84000 2.248000  1.768000       4.496000  
1 1 1 13 34 27 o 22.93000 3.005000  -2.100000      6.011000  
1 1 1 13 34 29 o 20.50000 2.563000  6.121000       5.126000  
1 1 1 13 34 31 o 18.55000 1.917000  ?              ?         
1 1 1 13 35 0  o 11.89000 5.244000  0.000000       0.000000  
1 1 1 13 35 2  o 15.50000 4.079000  1.811000       8.158000  
1 1 1 13 35 4  o 15.58000 3.302000  -6.806000      6.604000  
1 1 1 13 35 6  o 16.60000 3.597000  4.993000       7.195000  
1 1 1 13 35 8  o 11.57000 3.720000  3.311000       7.441000  
1 1 1 13 35 12 o 56.31000 1.816000  2.340000       3.632000  
1 1 1 13 35 16 o 18.63000 2.745000  -3.542000      5.490000  
1 1 1 13 35 18 f 21.31000 3.618000  0.5693000      7.237000  
1 1 1 13 35 20 o 25.56000 3.181000  0.2722000      6.362000  
1 1 1 13 35 22 o 26.00000 3.258000  2.354000       6.515000  
1 1 1 13 35 24 o 11.04000 3.194000  6.537000       6.387000  
1 1 1 13 35 26 f 15.25000 3.162000  -1.592000      6.324000  
1 1 1 13 35 28 o 7.474000 2.467000  1.637000       4.934000  
1 1 1 13 35 30 o 9.220000 3.348000  9.405000       6.695000  
1 1 1 13 36 1  o 35.89000 3.104000  0.9956000      6.208000  
1 1 1 13 36 5  o 27.17000 4.665000  -4.767000      9.330000  
1 1 1 13 36 7  o 60.78000 2.628000  -10.58000      5.255000  
1 1 1 13 36 9  o 10.34000 3.398000  1.505000       6.796000  
1 1 1 13 36 13 o 20.83000 2.364000  5.663000       4.729000  
1 1 1 13 36 15 o 12.70000 3.997000  0.2132000E-01  7.995000  
1 1 1 13 36 17 o 47.99000 2.463000  -1.106000      4.926000  
1 1 1 13 36 19 o 25.19000 3.506000  -7.102000      7.011000  
1 1 1 13 36 21 o 17.08000 4.523000  1.126000       9.046000  
1 1 1 13 36 23 o 31.43000 3.084000  -2.325000      6.167000  
1 1 1 13 36 25 o 11.34000 3.099000  1.177000       6.197000  
1 1 1 13 36 27 o 6.608000 3.153000  ?              ?         
1 1 1 13 36 29 o 8.826000 4.030000  ?              ?         
1 1 1 13 37 0  o 9.540000 4.491000  0.000000       0.000000  
1 1 1 13 37 2  o 10.81000 3.273000  5.279000       6.546000  
1 1 1 13 37 4  o 10.92000 3.480000  -1.679000      6.961000  
1 1 1 13 37 8  o 14.31000 2.922000  6.095000       5.844000  
1 1 1 13 37 10 o 7.223000 2.347000  2.053000       4.694000  
1 1 1 13 37 12 o 19.25000 4.027000  0.1569000      8.054000  
1 1 1 13 37 14 o 14.04000 3.942000  -4.953000      7.884000  
1 1 1 13 37 16 o 11.56000 3.490000  -3.216000      6.979000  
1 1 1 13 37 18 o 29.53000 2.667000  3.307000       5.334000  
1 1 1 13 37 20 o 12.01000 3.587000  -2.909000      7.174000  
1 1 1 13 37 22 o 21.15000 3.580000  -0.6044000     7.160000  
1 1 1 13 37 24 o 8.276000 2.857000  -4.190000      5.715000  
1 1 1 13 37 26 o 29.13000 1.894000  5.079000       3.788000  
1 1 1 13 38 1  o 7.933000 2.553000  0.6941000      5.106000  
1 1 1 13 38 3  o 19.05000 2.403000  3.973000       4.807000  
1 1 1 13 38 5  f 18.69000 4.271000  -8.224000      8.542000  
1 1 1 13 38 7  o 15.63000 4.471000  -5.310000      8.942000  
1 1 1 13 38 9  o 31.84000 3.335000  -2.463000      6.671000  
1 1 1 13 38 11 o 21.41000 3.563000  5.434000       7.125000  
1 1 1 13 38 13 o 28.08000 2.630000  4.717000       5.259000  
1 1 1 13 38 15 o 31.03000 2.389000  1.406000       4.778000  
1 1 1 13 38 17 o 10.86000 3.347000  -1.032000      6.694000  
1 1 1 13 38 19 o 26.10000 3.060000  7.018000       6.120000  
1 1 1 13 38 21 o 8.523000 2.699000  -0.7754000     5.399000  
1 1 1 13 38 23 o 7.739000 2.559000  -0.2505000     5.118000  
1 1 1 13 38 25 o 21.98000 2.552000  -4.676000      5.105000  
1 1 1 13 39 0  o 23.11000 6.924000  0.000000       0.000000  
1 1 1 13 39 2  o 13.39000 3.943000  -2.776000      7.887000  
1 1 1 13 39 4  o 25.25000 3.559000  -4.173000      7.118000  
1 1 1 13 39 6  f 17.19000 4.161000  -3.726000      8.322000  
1 1 1 13 39 8  o 20.24000 4.168000  -1.813000      8.335000  
1 1 1 13 39 10 o 33.92000 2.280000  0.7100000      4.559000  
1 1 1 13 39 12 o 34.84000 2.133000  5.070000       4.266000  
1 1 1 13 39 14 o 23.84000 3.321000  2.954000       6.641000  
1 1 1 13 39 16 o 17.02000 3.840000  -0.8217000     7.680000  
1 1 1 13 39 18 o 11.62000 3.488000  -2.135000      6.977000  
1 1 1 13 39 20 o 7.421000 2.458000  0.3423000      4.916000  
1 1 1 13 39 22 o 11.06000 2.841000  -0.1632000     5.682000  
1 1 1 13 39 24 o 12.69000 2.835000  -1.819000      5.670000  
1 1 1 13 40 1  o 13.81000 3.589000  4.986000       7.179000  
1 1 1 13 40 3  o 13.60000 4.172000  -0.5955000     8.343000  
1 1 1 13 40 5  o 15.88000 4.584000  0.7383000E-01  9.168000  
1 1 1 13 40 7  o 35.16000 2.592000  5.581000       5.184000  
1 1 1 13 40 9  o 16.28000 3.262000  10.96000       6.523000  
1 1 1 13 40 11 o 12.39000 3.563000  -0.4529000     7.126000  
1 1 1 13 40 13 o 37.18000 2.176000  4.880000       4.351000  
1 1 1 13 40 15 o 24.08000 3.307000  2.059000       6.613000  
1 1 1 13 40 17 o 7.436000 2.453000  0.3601000      4.905000  
1 1 1 13 40 19 o 6.750000 2.333000  -0.2432000     4.667000  
1 1 1 13 40 21 o 16.80000 2.654000  -3.225000      5.307000  
1 1 1 13 41 0  o 13.17000 5.178000  0.000000       0.000000  
1 1 1 13 41 2  o 17.56000 3.771000  7.773000       7.543000  
1 1 1 13 41 4  o 25.86000 4.815000  -0.4921000     9.630000  
1 1 1 13 41 6  o 12.65000 3.768000  0.8908000      7.536000  
1 1 1 13 41 8  f 15.70000 4.217000  1.150000       8.435000  
1 1 1 13 41 10 o 13.81000 3.797000  -3.566000      7.594000  
1 1 1 13 41 12 o 20.17000 3.351000  4.867000       6.703000  
1 1 1 13 41 14 o 15.66000 2.839000  7.788000       5.678000  
1 1 1 13 41 16 o 8.102000 2.534000  3.713000       5.067000  
1 1 1 13 41 18 o 36.30000 1.443000  -4.974000      2.887000  
1 1 1 13 41 20 o 12.31000 2.767000  6.861000       5.535000  
1 1 1 13 42 1  f 13.11000 3.779000  -0.4516000     7.558000  
1 1 1 13 42 3  o 11.40000 3.543000  -1.096000      7.085000  
1 1 1 13 42 5  o 16.54000 4.050000  -0.3890000     8.100000  
1 1 1 13 42 7  o 17.12000 4.048000  -6.513000      8.095000  
1 1 1 13 42 9  o 7.939000 2.599000  -1.064000      5.197000  
1 1 1 13 42 11 o 6.774000 2.324000  1.620000       4.647000  
1 1 1 13 42 13 o 6.086000 2.137000  0.4700000      4.274000  
1 1 1 13 42 15 o 33.90000 1.658000  -8.398000      3.316000  
1 1 1 13 42 17 o 6.732000 2.247000  2.108000       4.495000  
1 1 1 13 43 0  o 19.98000 3.612000  0.000000       0.000000  
1 1 1 13 43 2  o 8.135000 2.665000  -0.7127000     5.331000  
1 1 1 13 43 4  o 7.286000 2.447000  0.9033000      4.893000  
1 1 1 13 43 6  o 9.105000 2.719000  2.662000       5.439000  
1 1 1 13 43 8  o 12.33000 3.242000  1.652000       6.485000  
1 1 1 13 43 10 o 6.831000 2.298000  0.2316000      4.595000  
1 1 1 13 43 12 o 36.40000 1.742000  5.295000       3.484000  
1 1 1 13 43 14 o 8.210000 2.724000  2.675000       5.449000  
1 1 1 13 44 1  o 7.886000 2.446000  1.564000       4.892000  
1 1 1 13 44 3  o 25.00000 2.902000  ?              ?         
1 1 1 13 44 5  o 37.02000 1.835000  -5.745000      3.670000  
1 1 1 13 44 7  o 44.08000 1.877000  2.460000       3.755000  
1 1 1 13 44 9  o 6.400000 2.213000  1.447000       4.425000  
1 1 1 13 45 0  o 14.88000 5.296000  0.000000       0.000000  
1 1 1 14 0  0  o 25.04000 1.028000  0.000000       0.000000  
1 1 1 14 0  2  o 103.6000 1.887000  0.000000       0.000000  
1 1 1 14 0  4  o 42.20000 0.8725000 0.000000       0.000000  
1 1 1 14 0  6  o 124.3000 2.259000  0.000000       0.000000  
1 1 1 14 0  8  o 170.4000 3.075000  0.000000       0.000000  
1 1 1 14 0  10 o 69.12000 1.297000  0.000000       0.000000  
1 1 1 14 0  12 o 131.1000 2.385000  0.000000       0.000000  
1 1 1 14 0  14 o 45.39000 0.9824000 0.000000       0.000000  
1 1 1 14 0  16 o 97.91000 1.828000  0.000000       0.000000  
1 1 1 14 0  18 o 15.04000 2.136000  0.000000       0.000000  
1 1 1 14 0  20 o 38.43000 1.079000  0.000000       0.000000  
1 1 1 14 0  22 o 16.84000 1.345000  0.000000       0.000000  
1 1 1 14 0  24 o 93.38000 2.433000  0.000000       0.000000  
1 1 1 14 0  28 o 31.10000 1.069000  0.000000       0.000000  
1 1 1 14 0  30 o 72.00000 1.627000  0.000000       0.000000  
1 1 1 14 0  32 o 34.75000 1.156000  0.000000       0.000000  
1 1 1 14 0  34 o 9.397000 2.399000  0.000000       0.000000  
1 1 1 14 0  36 o 12.18000 2.115000  0.000000       0.000000  
1 1 1 14 0  38 o 5.286000 2.513000  0.000000       0.000000  
1 1 1 14 0  40 o 6.857000 3.059000  0.000000       0.000000  
1 1 1 14 0  42 o 23.06000 2.008000  0.000000       0.000000  
1 1 1 14 0  44 f 11.11000 3.086000  0.000000       0.000000  
1 1 1 14 0  46 o 6.866000 2.908000  0.000000       0.000000  
1 1 1 14 1  1  o 18.75000 0.5630000 -0.3026000     1.126000  
1 1 1 14 1  3  o 32.85000 0.5444000 -0.2168000E-01 1.089000  
1 1 1 14 1  5  o 61.36000 0.8216000 0.4893000      1.643000  
1 1 1 14 1  7  o 114.4000 1.470000  1.957000       2.939000  
1 1 1 14 1  9  o 126.8000 1.758000  -0.3130000E-01 3.517000  
1 1 1 14 1  11 o 117.9000 1.862000  -0.1949000     3.724000  
1 1 1 14 1  13 o 103.4000 1.343000  -0.2292000     2.687000  
1 1 1 14 1  15 o 33.91000 0.7215000 -1.876000      1.443000  
1 1 1 14 1  17 o 40.69000 0.8460000 -2.670000      1.692000  
1 1 1 14 1  19 o 85.40000 1.261000  -3.904000      2.521000  
1 1 1 14 1  21 o 21.56000 0.8063000 0.9478000      1.613000  
1 1 1 14 1  23 o 7.233000 1.604000  -1.085000      3.207000  
1 1 1 14 1  25 o 44.24000 0.8946000 1.372000       1.789000  
1 1 1 14 1  27 o 13.05000 2.469000  -0.5123000     4.937000  
1 1 1 14 1  29 o 15.34000 1.422000  -1.173000      2.844000  
1 1 1 14 1  31 o 29.60000 0.9673000 0.9662000      1.935000  
1 1 1 14 1  33 f 51.58000 0.9711000 -1.539000      1.942000  
1 1 1 14 1  35 o 58.12000 1.036000  -0.8632000     2.072000  
1 1 1 14 1  37 o 25.91000 1.254000  -0.6705000     2.507000  
1 1 1 14 1  39 o 23.35000 1.637000  1.081000       3.274000  
1 1 1 14 1  41 o 23.56000 1.133000  0.3074000      2.266000  
1 1 1 14 1  43 o 26.72000 1.489000  -1.552000      2.979000  
1 1 1 14 1  45 o 6.998000 2.017000  1.481000       4.033000  
1 1 1 14 1  47 o 24.45000 1.904000  -3.061000      3.807000  
1 1 1 14 2  0  o 75.82000 1.406000  0.000000       0.000000  
1 1 1 14 2  2  o 113.9000 1.462000  -0.3559000     2.925000  
1 1 1 14 2  4  o 170.1000 2.170000  -1.429000      4.341000  
1 1 1 14 2  6  o 129.8000 1.667000  2.555000       3.333000  
1 1 1 14 2  8  o 122.5000 1.625000  -0.5010000     3.250000  
1 1 1 14 2  10 o 82.82000 1.173000  -0.5893000     2.346000  
1 1 1 14 2  12 o 150.6000 1.993000  -0.9036000E-01 3.986000  
1 1 1 14 2  14 o 91.58000 1.300000  -0.7193000     2.599000  
1 1 1 14 2  16 o 73.41000 1.092000  -0.1428000     2.185000  
1 1 1 14 2  18 o 64.38000 1.038000  -4.236000      2.075000  
1 1 1 14 2  20 o 60.73000 1.057000  1.291000       2.114000  
1 1 1 14 2  22 o 32.05000 0.9394000 -0.9538000     1.879000  
1 1 1 14 2  24 o 31.08000 1.218000  -1.970000      2.436000  
1 1 1 14 2  26 o 60.35000 1.857000  -4.049000      3.713000  
1 1 1 14 2  28 o 23.70000 1.903000  1.336000       3.805000  
1 1 1 14 2  30 o 23.46000 1.027000  0.5248000      2.054000  
1 1 1 14 2  32 o 21.69000 1.120000  0.9713000      2.239000  
1 1 1 14 2  34 o 12.55000 1.793000  4.372000       3.586000  
1 1 1 14 2  36 o 36.98000 0.9903000 2.300000       1.981000  
1 1 1 14 2  38 o 27.78000 1.508000  -0.2722000E-01 3.016000  
1 1 1 14 2  40 o 26.34000 1.678000  0.6223000      3.356000  
1 1 1 14 2  42 o 13.01000 2.303000  0.2735000      4.606000  
1 1 1 14 2  44 o 28.77000 1.497000  -2.273000      2.994000  
1 1 1 14 2  46 o 11.28000 2.418000  4.671000       4.836000  
1 1 1 14 3  1  f 138.1000 1.767000  -0.2413000     3.533000  
1 1 1 14 3  3  o 127.6000 1.638000  0.8981000      3.276000  
1 1 1 14 3  5  o 87.30000 1.134000  0.2531000      2.267000  
1 1 1 14 3  7  o 95.04000 1.276000  -1.497000      2.552000  
1 1 1 14 3  9  o 89.13000 1.195000  3.027000       2.390000  
1 1 1 14 3  11 o 59.66000 0.8421000 0.6646000      1.684000  
1 1 1 14 3  13 o 36.56000 0.8752000 -1.348000      1.750000  
1 1 1 14 3  15 o 27.08000 0.8954000 3.226000       1.791000  
1 1 1 14 3  17 o 55.12000 0.9844000 -0.3707000     1.969000  
1 1 1 14 3  19 o 66.72000 1.057000  -1.605000      2.114000  
1 1 1 14 3  21 f 52.99000 1.036000  0.4155000      2.072000  
1 1 1 14 3  23 o 29.30000 0.8586000 -1.126000      1.717000  
1 1 1 14 3  25 o 19.57000 1.305000  1.307000       2.611000  
1 1 1 14 3  27 o 56.41000 1.313000  6.317000       2.627000  
1 1 1 14 3  29 o 35.44000 1.325000  0.9826000      2.649000  
1 1 1 14 3  31 o 31.12000 0.9043000 -1.250000      1.809000  
1 1 1 14 3  33 o 29.40000 0.9078000 -0.1198000     1.816000  
1 1 1 14 3  35 o 16.32000 1.303000  -0.1904000     2.606000  
1 1 1 14 3  37 o 7.956000 2.084000  1.277000       4.169000  
1 1 1 14 3  39 o 28.79000 1.576000  0.2964000      3.153000  
1 1 1 14 3  41 o 43.79000 1.139000  0.1581000      2.279000  
1 1 1 14 3  43 f 40.82000 1.078000  -0.9978000     2.156000  
1 1 1 14 3  45 o 40.85000 1.115000  -1.488000      2.231000  
1 1 1 14 3  47 o 36.55000 1.138000  -0.2483000     2.276000  
1 1 1 14 4  0  o 171.2000 3.089000  0.000000       0.000000  
1 1 1 14 4  2  o 116.1000 1.492000  -0.8614000E-01 2.985000  
1 1 1 14 4  4  o 111.8000 1.556000  -0.9266000     3.112000  
1 1 1 14 4  6  o 118.1000 1.571000  -0.9420000     3.143000  
1 1 1 14 4  8  o 135.2000 1.796000  -3.026000      3.593000  
1 1 1 14 4  10 o 155.7000 2.443000  -0.4167000     4.887000  
1 1 1 14 4  12 o 87.07000 1.236000  -0.9218000     2.472000  
1 1 1 14 4  14 o 82.86000 1.195000  -2.034000      2.390000  
1 1 1 14 4  16 o 102.7000 1.579000  0.9065000      3.157000  
1 1 1 14 4  18 o 122.2000 1.728000  0.3578000      3.455000  
1 1 1 14 4  20 o 85.61000 1.398000  -5.698000      2.797000  
1 1 1 14 4  22 o 53.62000 0.8971000 -1.846000      1.794000  
1 1 1 14 4  24 o 50.08000 0.9604000 1.393000       1.921000  
1 1 1 14 4  26 o 37.79000 0.9031000 -3.400000      1.806000  
1 1 1 14 4  28 o 53.97000 1.274000  -0.6663000     2.549000  
1 1 1 14 4  30 o 64.94000 1.071000  -1.838000      2.142000  
1 1 1 14 4  32 o 9.273000 1.759000  -1.448000      3.519000  
1 1 1 14 4  34 o 31.80000 0.9078000 -0.3031000     1.816000  
1 1 1 14 4  36 o 56.27000 1.196000  2.486000       2.392000  
1 1 1 14 4  38 o 12.21000 2.426000  7.445000       4.852000  
1 1 1 14 4  40 o 17.33000 1.837000  3.257000       3.674000  
1 1 1 14 4  42 o 23.25000 1.408000  -1.398000      2.816000  
1 1 1 14 4  44 o 18.18000 1.447000  -0.6922000     2.894000  
1 1 1 14 4  46 o 16.86000 1.516000  5.038000       3.032000  
1 1 1 14 5  1  o 102.4000 1.322000  1.012000       2.643000  
1 1 1 14 5  3  o 61.90000 0.8614000 1.496000       1.723000  
1 1 1 14 5  5  o 60.51000 0.8512000 -2.582000      1.702000  
1 1 1 14 5  7  o 81.41000 1.105000  0.1170000      2.210000  
1 1 1 14 5  9  o 37.39000 0.7562000 0.1943000E-01  1.512000  
1 1 1 14 5  11 o 142.1000 1.976000  -3.677000      3.952000  
1 1 1 14 5  13 o 103.7000 1.462000  -0.8760000     2.923000  
1 1 1 14 5  15 o 33.16000 0.8822000 0.8781000E-02  1.764000  
1 1 1 14 5  17 o 31.61000 0.9139000 -0.2175000     1.828000  
1 1 1 14 5  19 o 81.15000 1.356000  -3.120000      2.712000  
1 1 1 14 5  21 o 33.79000 0.8202000 -1.682000      1.640000  
1 1 1 14 5  23 o 28.82000 1.454000  2.835000       2.909000  
1 1 1 14 5  25 o 65.46000 1.062000  -0.3489000     2.124000  
1 1 1 14 5  27 o 61.24000 1.300000  -1.072000      2.601000  
1 1 1 14 5  29 o 57.90000 1.339000  6.681000       2.677000  
1 1 1 14 5  31 o 10.82000 1.677000  -0.8964000     3.354000  
1 1 1 14 5  33 f 48.16000 1.083000  0.2644000      2.166000  
1 1 1 14 5  35 o 21.83000 1.021000  -1.673000      2.042000  
1 1 1 14 5  37 o 36.28000 1.089000  -2.555000      2.178000  
1 1 1 14 5  39 o 31.39000 1.491000  2.822000       2.982000  
1 1 1 14 5  41 f 21.80000 1.231000  0.8090000      2.463000  
1 1 1 14 5  43 o 23.36000 1.200000  -1.931000      2.401000  
1 1 1 14 5  45 o 10.30000 2.067000  1.029000       4.135000  
1 1 1 14 5  47 o 13.97000 2.748000  9.949000       5.496000  
1 1 1 14 6  0  o 77.86000 1.456000  0.000000       0.000000  
1 1 1 14 6  2  o 89.85000 1.215000  -2.500000      2.429000  
1 1 1 14 6  4  o 123.7000 1.638000  1.442000       3.276000  
1 1 1 14 6  6  o 165.3000 2.181000  1.142000       4.361000  
1 1 1 14 6  8  o 116.1000 1.543000  1.438000       3.085000  
1 1 1 14 6  10 o 71.66000 0.9990000 -4.981000      1.998000  
1 1 1 14 6  12 o 63.97000 0.9636000 -1.242000      1.927000  
1 1 1 14 6  14 o 48.21000 0.9985000 -2.075000      1.997000  
1 1 1 14 6  16 o 33.36000 0.9274000 -0.8104000     1.855000  
1 1 1 14 6  18 o 86.99000 1.495000  4.169000       2.990000  
1 1 1 14 6  20 f 35.83000 0.8763000 1.326000       1.753000  
1 1 1 14 6  22 o 54.02000 0.9185000 0.9299000E-01  1.837000  
1 1 1 14 6  24 o 52.33000 0.9295000 2.447000       1.859000  
1 1 1 14 6  26 o 50.33000 0.9528000 -1.083000      1.906000  
1 1 1 14 6  28 o 19.14000 3.893000  10.69000       7.786000  
1 1 1 14 6  30 o 16.18000 2.657000  1.804000       5.313000  
1 1 1 14 6  32 o 11.77000 1.704000  -1.667000      3.408000  
1 1 1 14 6  34 o 10.89000 1.786000  -0.3373000     3.571000  
1 1 1 14 6  36 o 27.96000 1.007000  2.706000       2.014000  
1 1 1 14 6  38 o 54.99000 1.282000  2.667000       2.565000  
1 1 1 14 6  40 o 56.48000 1.281000  5.354000       2.563000  
1 1 1 14 6  42 o 14.94000 1.552000  1.220000       3.105000  
1 1 1 14 6  44 o 27.61000 1.092000  0.4764000      2.184000  
1 1 1 14 6  46 o 10.72000 2.800000  5.226000       5.600000  
1 1 1 14 7  1  o 100.4000 1.300000  0.2177000      2.600000  
1 1 1 14 7  3  o 113.2000 1.505000  1.335000       3.010000  
1 1 1 14 7  5  o 135.4000 1.796000  -1.574000      3.592000  
1 1 1 14 7  7  o 27.24000 0.7268000 1.418000       1.454000  
1 1 1 14 7  9  o 81.71000 1.114000  1.509000       2.227000  
1 1 1 14 7  11 o 82.13000 1.179000  -1.767000      2.357000  
1 1 1 14 7  13 o 72.15000 1.278000  3.036000       2.557000  
1 1 1 14 7  15 o 179.7000 2.502000  1.036000       5.004000  
1 1 1 14 7  17 o 42.01000 0.9077000 -2.351000      1.815000  
1 1 1 14 7  19 o 49.57000 1.211000  3.618000       2.422000  
1 1 1 14 7  21 o 106.4000 1.510000  -2.935000      3.019000  
1 1 1 14 7  23 o 145.1000 2.037000  -1.037000      4.073000  
1 1 1 14 7  25 o 97.93000 1.444000  2.823000       2.889000  
1 1 1 14 7  27 o 42.50000 1.522000  -6.647000      3.044000  
1 1 1 14 7  29 o 36.71000 1.990000  -9.134000      3.980000  
1 1 1 14 7  31 o 33.94000 0.9784000 -1.904000      1.957000  
1 1 1 14 7  33 o 26.73000 0.9970000 -2.894000      1.994000  
1 1 1 14 7  35 o 29.84000 0.9958000 -1.557000      1.992000  
1 1 1 14 7  37 f 9.806000 2.149000  -1.409000      4.299000  
1 1 1 14 7  39 o 10.11000 2.432000  0.8163000      4.864000  
1 1 1 14 7  41 o 44.33000 1.208000  -1.679000      2.415000  
1 1 1 14 7  43 o 11.45000 2.335000  -2.720000      4.670000  
1 1 1 14 7  45 o 28.32000 1.415000  -1.292000      2.831000  
1 1 1 14 7  47 o 9.687000 3.007000  -0.5908000     6.014000  
1 1 1 14 8  0  o 30.99000 0.8256000 0.000000       0.000000  
1 1 1 14 8  2  o 75.95000 1.007000  -1.225000      2.014000  
1 1 1 14 8  4  o 100.4000 1.408000  0.1607000      2.817000  
1 1 1 14 8  6  o 75.35000 1.035000  0.1284000      2.070000  
1 1 1 14 8  8  o 88.08000 1.339000  1.969000       2.678000  
1 1 1 14 8  10 o 97.98000 1.281000  0.8716000E-01  2.562000  
1 1 1 14 8  12 o 42.38000 0.8515000 -1.735000      1.703000  
1 1 1 14 8  14 o 67.41000 1.093000  -2.964000      2.186000  
1 1 1 14 8  16 o 76.35000 1.339000  0.8728000      2.677000  
1 1 1 14 8  18 o 59.91000 1.170000  -4.906000      2.340000  
1 1 1 14 8  20 o 58.35000 0.9107000 -0.7353000     1.821000  
1 1 1 14 8  22 o 27.39000 0.8462000 3.331000       1.692000  
1 1 1 14 8  24 f 52.21000 0.9885000 0.8160000      1.977000  
1 1 1 14 8  26 o 33.59000 0.9414000 0.1269000      1.883000  
1 1 1 14 8  28 o 22.64000 3.797000  3.800000       7.593000  
1 1 1 14 8  30 o 23.71000 3.845000  2.223000       7.689000  
1 1 1 14 8  32 o 50.43000 1.084000  0.3789000      2.168000  
1 1 1 14 8  34 o 17.73000 1.257000  0.9405000      2.515000  
1 1 1 14 8  36 o 13.62000 1.893000  -3.042000      3.786000  
1 1 1 14 8  38 o 25.42000 2.221000  -6.248000      4.441000  
1 1 1 14 8  40 o 14.18000 2.695000  2.454000       5.389000  
1 1 1 14 8  42 o 10.02000 2.458000  -0.9071000     4.916000  
1 1 1 14 8  44 o 25.08000 1.458000  -0.2374000     2.916000  
1 1 1 14 8  46 o 27.41000 3.164000  -17.95000      6.328000  
1 1 1 14 9  1  o 71.67000 0.9589000 -1.066000      1.918000  
1 1 1 14 9  3  o 55.71000 0.7829000 0.5938000      1.566000  
1 1 1 14 9  5  o 116.5000 1.504000  1.732000       3.009000  
1 1 1 14 9  7  o 59.31000 0.9006000 0.6076000      1.801000  
1 1 1 14 9  9  o 8.212000 1.594000  0.5159000E-01  3.188000  
1 1 1 14 9  11 o 111.2000 1.454000  -2.363000      2.908000  
1 1 1 14 9  13 o 51.43000 0.9545000 -0.6310000     1.909000  
1 1 1 14 9  15 o 43.14000 0.9081000 3.562000       1.816000  
1 1 1 14 9  17 o 76.96000 1.238000  0.1515000      2.475000  
1 1 1 14 9  19 o 34.36000 0.7355000 1.071000       1.471000  
1 1 1 14 9  21 o 31.06000 0.8408000 1.853000       1.682000  
1 1 1 14 9  23 o 109.7000 1.805000  1.137000       3.609000  
1 1 1 14 9  25 o 69.15000 1.237000  -1.036000      2.473000  
1 1 1 14 9  27 o 13.27000 3.799000  9.469000       7.598000  
1 1 1 14 9  29 o 49.45000 2.949000  1.218000       5.897000  
1 1 1 14 9  31 o 38.96000 1.009000  2.039000       2.018000  
1 1 1 14 9  33 o 35.35000 0.9903000 1.482000       1.981000  
1 1 1 14 9  35 o 7.071000 2.001000  0.3252000      4.002000  
1 1 1 14 9  37 o 12.96000 4.184000  -0.5825000     8.368000  
1 1 1 14 9  39 o 16.05000 2.447000  11.92000       4.893000  
1 1 1 14 9  41 o 33.31000 1.339000  0.7371000      2.679000  
1 1 1 14 9  43 o 37.47000 1.588000  -3.322000      3.175000  
1 1 1 14 9  45 o 13.42000 3.175000  -2.824000      6.350000  
1 1 1 14 10 0  o 48.88000 1.011000  0.000000       0.000000  
1 1 1 14 10 2  o 31.00000 0.6274000 -0.9936000     1.255000  
1 1 1 14 10 4  o 45.47000 0.7322000 -0.7682000     1.464000  
1 1 1 14 10 6  o 26.56000 0.7328000 -0.1076000     1.466000  
1 1 1 14 10 8  o 81.83000 1.136000  -2.119000      2.272000  
1 1 1 14 10 10 o 88.00000 1.181000  -0.7836000E-01 2.361000  
1 1 1 14 10 12 o 81.82000 1.232000  0.2170000      2.464000  
1 1 1 14 10 14 o 33.96000 1.250000  -1.145000      2.500000  
1 1 1 14 10 16 o 116.5000 2.145000  5.723000       4.289000  
1 1 1 14 10 18 o 27.43000 0.8580000 -0.7569000     1.716000  
1 1 1 14 10 20 o 54.49000 0.9519000 0.6329000      1.904000  
1 1 1 14 10 22 o 61.24000 1.039000  0.2102000E-01  2.078000  
1 1 1 14 10 24 o 43.43000 1.025000  3.355000       2.051000  
1 1 1 14 10 26 o 53.70000 1.101000  -0.6227000     2.202000  
1 1 1 14 10 28 o 32.59000 3.310000  2.885000       6.620000  
1 1 1 14 10 30 o 22.22000 3.787000  -5.623000      7.574000  
1 1 1 14 10 32 o 33.72000 0.9973000 3.407000       1.995000  
1 1 1 14 10 34 o 41.66000 1.154000  0.4606000      2.308000  
1 1 1 14 10 36 o 36.56000 1.487000  2.252000       2.973000  
1 1 1 14 10 38 o 22.42000 2.734000  6.308000       5.468000  
1 1 1 14 10 40 o 10.40000 2.575000  -1.251000      5.149000  
1 1 1 14 10 42 o 17.02000 1.921000  1.270000       3.841000  
1 1 1 14 10 44 o 13.93000 2.674000  1.135000       5.348000  
1 1 1 14 10 46 o 18.02000 3.170000  -1.177000      6.339000  
1 1 1 14 11 1  o 65.05000 0.8950000 0.6322000      1.790000  
1 1 1 14 11 3  o 97.85000 1.329000  0.7919000      2.658000  
1 1 1 14 11 5  o 135.3000 1.810000  3.692000       3.619000  
1 1 1 14 11 7  o 16.30000 1.131000  0.9203000      2.263000  
1 1 1 14 11 9  o 98.48000 1.357000  -0.1169000     2.715000  
1 1 1 14 11 11 o 77.07000 1.148000  0.2584000      2.296000  
1 1 1 14 11 13 o 54.78000 1.292000  -1.218000      2.583000  
1 1 1 14 11 15 o 56.36000 1.181000  -0.8265000     2.362000  
1 1 1 14 11 17 f 77.81000 1.466000  4.459000       2.931000  
1 1 1 14 11 19 o 48.85000 0.8384000 -1.436000      1.677000  
1 1 1 14 11 21 o 59.62000 1.015000  -3.028000      2.029000  
1 1 1 14 11 23 o 13.25000 1.600000  5.576000       3.199000  
1 1 1 14 11 25 o 16.31000 1.265000  -0.8316000E-01 2.529000  
1 1 1 14 11 27 o 32.47000 3.495000  0.2002000      6.990000  
1 1 1 14 11 29 o 11.78000 3.674000  10.17000       7.348000  
1 1 1 14 11 31 o 62.02000 1.154000  0.4015000      2.307000  
1 1 1 14 11 33 o 11.30000 2.107000  1.968000       4.215000  
1 1 1 14 11 35 o 33.07000 1.394000  -1.271000      2.789000  
1 1 1 14 11 37 o 41.13000 1.831000  3.713000       3.661000  
1 1 1 14 11 39 o 8.670000 2.533000  2.022000       5.066000  
1 1 1 14 11 41 o 12.94000 2.366000  2.838000       4.732000  
1 1 1 14 11 43 o 40.60000 1.378000  -2.824000      2.756000  
1 1 1 14 11 45 o 30.05000 1.743000  5.344000       3.486000  
1 1 1 14 12 0  o 119.0000 2.180000  0.000000       0.000000  
1 1 1 14 12 2  o 66.48000 0.9674000 3.519000       1.935000  
1 1 1 14 12 4  o 81.04000 1.138000  2.185000       2.276000  
1 1 1 14 12 6  o 89.47000 1.488000  1.126000       2.977000  
1 1 1 14 12 8  o 38.85000 0.9396000 -1.676000      1.879000  
1 1 1 14 12 10 o 30.90000 1.102000  0.6965000      2.204000  
1 1 1 14 12 12 o 37.86000 1.239000  -0.2893000     2.478000  
1 1 1 14 12 14 o 23.88000 3.652000  -8.247000      7.304000  
1 1 1 14 12 16 o 93.12000 1.432000  -2.819000      2.864000  
1 1 1 14 12 18 o 73.14000 1.620000  -1.145000      3.241000  
1 1 1 14 12 20 o 88.69000 1.348000  0.5707000      2.696000  
1 1 1 14 12 22 o 69.82000 1.141000  -1.022000      2.282000  
1 1 1 14 12 24 f 28.37000 0.7515000 -1.091000      1.503000  
1 1 1 14 12 26 o 94.29000 1.804000  4.300000       3.607000  
1 1 1 14 12 28 o 19.32000 3.618000  6.049000       7.236000  
1 1 1 14 12 30 o 26.04000 1.098000  -3.148000      2.196000  
1 1 1 14 12 32 o 34.12000 1.149000  0.1576000      2.299000  
1 1 1 14 12 34 o 48.15000 1.161000  -2.367000      2.323000  
1 1 1 14 12 36 o 47.17000 1.627000  5.615000       3.255000  
1 1 1 14 12 38 o 13.07000 2.810000  6.815000       5.619000  
1 1 1 14 12 40 o 26.43000 1.602000  4.415000       3.204000  
1 1 1 14 12 42 o 16.15000 2.558000  2.425000       5.115000  
1 1 1 14 12 44 o 7.605000 2.336000  -1.130000      4.672000  
1 1 1 14 13 1  f 86.01000 1.253000  -1.632000      2.506000  
1 1 1 14 13 3  o 62.14000 0.9449000 -1.509000      1.890000  
1 1 1 14 13 5  f 40.94000 0.9714000 -0.2402000     1.943000  
1 1 1 14 13 7  o 47.07000 1.017000  -1.208000      2.034000  
1 1 1 14 13 9  f 60.11000 1.237000  -4.513000      2.475000  
1 1 1 14 13 11 o 62.57000 1.437000  -1.678000      2.873000  
1 1 1 14 13 13 o 89.48000 1.558000  0.7542000      3.117000  
1 1 1 14 13 15 o 49.87000 1.908000  -1.782000      3.817000  
1 1 1 14 13 17 f 36.73000 0.9618000 0.4690000      1.924000  
1 1 1 14 13 19 o 114.9000 1.995000  3.852000       3.991000  
1 1 1 14 13 21 o 83.04000 1.451000  -1.105000      2.902000  
1 1 1 14 13 23 o 38.06000 0.8003000 0.7915000      1.601000  
1 1 1 14 13 25 o 40.90000 0.9741000 -1.289000      1.948000  
1 1 1 14 13 27 o 22.30000 3.540000  -6.068000      7.079000  
1 1 1 14 13 29 o 38.05000 1.066000  -1.447000      2.133000  
1 1 1 14 13 31 o 42.42000 1.057000  0.2221000      2.113000  
1 1 1 14 13 33 o 37.04000 1.105000  -1.183000      2.209000  
1 1 1 14 13 35 o 66.84000 1.497000  3.281000       2.994000  
1 1 1 14 13 37 o 19.34000 2.710000  -0.2022000     5.420000  
1 1 1 14 13 39 o 51.39000 1.303000  -0.9044000     2.606000  
1 1 1 14 13 41 o 20.62000 2.139000  2.064000       4.277000  
1 1 1 14 13 43 o 7.414000 2.342000  -2.278000      4.683000  
1 1 1 14 13 45 o 33.75000 1.519000  0.5300000      3.037000  
1 1 1 14 14 0  o 148.3000 2.720000  0.000000       0.000000  
1 1 1 14 14 2  o 96.12000 1.299000  -0.6768000     2.598000  
1 1 1 14 14 4  f 111.3000 1.543000  2.632000       3.086000  
1 1 1 14 14 6  o 55.31000 1.007000  -5.433000      2.013000  
1 1 1 14 14 8  o 34.00000 1.367000  -2.442000      2.734000  
1 1 1 14 14 10 o 54.20000 1.205000  -7.346000      2.409000  
1 1 1 14 14 12 o 15.84000 1.899000  -6.345000      3.799000  
1 1 1 14 14 14 o 29.22000 1.033000  -4.186000      2.065000  
1 1 1 14 14 16 o 47.14000 1.666000  -5.652000      3.331000  
1 1 1 14 14 18 o 49.30000 1.172000  -0.9065000     2.343000  
1 1 1 14 14 20 o 57.84000 1.146000  -0.9114000     2.292000  
1 1 1 14 14 22 o 52.06000 0.9542000 2.755000       1.908000  
1 1 1 14 14 24 o 27.79000 3.071000  -1.953000      6.143000  
1 1 1 14 14 26 o 58.07000 1.094000  -1.730000      2.189000  
1 1 1 14 14 28 o 45.60000 3.124000  -2.496000      6.247000  
1 1 1 14 14 30 o 71.36000 1.281000  -1.148000      2.562000  
1 1 1 14 14 32 o 8.103000 2.115000  -1.421000      4.231000  
1 1 1 14 14 34 o 11.07000 2.301000  0.8872000      4.602000  
1 1 1 14 14 36 o 21.56000 2.570000  5.320000       5.140000  
1 1 1 14 14 38 o 23.69000 1.691000  4.607000       3.382000  
1 1 1 14 14 40 o 9.239000 3.101000  -5.705000      6.202000  
1 1 1 14 14 42 o 19.43000 1.944000  -0.6422000     3.888000  
1 1 1 14 14 44 f 10.16000 3.409000  1.311000       6.819000  
1 1 1 14 15 1  o 96.70000 1.326000  1.197000       2.653000  
1 1 1 14 15 3  o 98.26000 1.356000  -3.085000      2.712000  
1 1 1 14 15 5  o 32.98000 1.690000  4.062000       3.379000  
1 1 1 14 15 7  o 58.47000 1.508000  -4.296000      3.015000  
1 1 1 14 15 9  o 43.40000 1.296000  1.071000       2.591000  
1 1 1 14 15 11 o 113.0000 1.808000  3.982000       3.616000  
1 1 1 14 15 13 o 24.17000 1.366000  -4.747000      2.731000  
1 1 1 14 15 15 o 52.73000 1.092000  -2.906000      2.184000  
1 1 1 14 15 17 f 19.29000 3.158000  -0.5494000     6.316000  
1 1 1 14 15 19 o 36.62000 1.097000  -1.550000      2.195000  
1 1 1 14 15 21 o 85.01000 1.328000  1.768000       2.656000  
1 1 1 14 15 23 o 31.41000 0.9384000 -3.183000      1.877000  
1 1 1 14 15 25 o 50.97000 1.085000  -2.466000      2.169000  
1 1 1 14 15 27 o 15.46000 1.117000  -2.216000      2.234000  
1 1 1 14 15 29 o 25.51000 0.9497000 0.7713000      1.899000  
1 1 1 14 15 31 o 11.70000 1.855000  0.8205000      3.709000  
1 1 1 14 15 33 o 18.68000 1.517000  1.239000       3.034000  
1 1 1 14 15 35 o 41.74000 1.385000  2.002000       2.769000  
1 1 1 14 15 37 o 43.67000 2.475000  -11.63000      4.950000  
1 1 1 14 15 39 o 33.42000 1.232000  3.200000       2.464000  
1 1 1 14 15 41 o 24.24000 1.627000  0.8005000      3.253000  
1 1 1 14 15 43 o 21.23000 1.903000  -0.7106000     3.807000  
1 1 1 14 15 45 o 16.60000 2.894000  ?              ?         
1 1 1 14 16 0  o 116.9000 2.241000  0.000000       0.000000  
1 1 1 14 16 2  f 120.4000 1.619000  -1.380000      3.238000  
1 1 1 14 16 4  o 113.3000 2.782000  3.438000       5.563000  
1 1 1 14 16 6  o 68.56000 1.360000  -2.595000      2.720000  
1 1 1 14 16 8  o 63.37000 1.392000  -1.874000      2.785000  
1 1 1 14 16 10 o 68.52000 1.417000  -7.062000      2.834000  
1 1 1 14 16 12 o 37.65000 1.188000  -2.665000      2.375000  
1 1 1 14 16 14 o 25.55000 1.123000  -1.909000      2.245000  
1 1 1 14 16 16 o 27.04000 1.140000  -2.104000      2.280000  
1 1 1 14 16 18 o 39.81000 2.802000  2.239000       5.604000  
1 1 1 14 16 20 o 43.02000 1.133000  2.415000       2.265000  
1 1 1 14 16 22 o 55.15000 1.183000  0.5747000      2.365000  
1 1 1 14 16 24 o 19.71000 1.168000  1.496000       2.336000  
1 1 1 14 16 26 o 11.15000 1.599000  1.511000       3.198000  
1 1 1 14 16 28 o 49.84000 1.014000  3.998000       2.029000  
1 1 1 14 16 30 o 13.96000 3.137000  3.720000       6.273000  
1 1 1 14 16 32 o 56.93000 3.221000  4.533000       6.441000  
1 1 1 14 16 34 o 9.401000 2.596000  -0.5780000     5.192000  
1 1 1 14 16 36 o 21.27000 2.188000  -0.6278000     4.375000  
1 1 1 14 16 38 o 26.64000 1.363000  1.596000       2.726000  
1 1 1 14 16 40 o 9.211000 2.371000  -2.505000      4.743000  
1 1 1 14 16 42 o 10.13000 2.551000  -0.5239000     5.103000  
1 1 1 14 16 44 o 31.27000 1.444000  -4.086000      2.887000  
1 1 1 14 17 1  o 131.7000 2.039000  2.260000       4.078000  
1 1 1 14 17 3  o 49.78000 1.392000  0.8166000      2.785000  
1 1 1 14 17 5  f 64.42000 1.289000  -1.687000      2.578000  
1 1 1 14 17 7  o 48.57000 1.337000  -3.563000      2.674000  
1 1 1 14 17 9  o 33.16000 1.353000  -5.402000      2.705000  
1 1 1 14 17 11 o 32.38000 1.091000  0.4814000      2.183000  
1 1 1 14 17 13 o 26.34000 1.159000  2.983000       2.317000  
1 1 1 14 17 15 o 29.79000 1.154000  -4.596000      2.308000  
1 1 1 14 17 17 o 57.36000 1.330000  1.733000       2.659000  
1 1 1 14 17 19 o 35.84000 2.912000  -6.707000      5.823000  
1 1 1 14 17 21 o 69.13000 1.291000  -0.9194000     2.582000  
1 1 1 14 17 23 o 53.43000 1.082000  1.760000       2.163000  
1 1 1 14 17 25 o 16.27000 1.233000  1.185000       2.465000  
1 1 1 14 17 27 o 29.89000 0.8641000 -2.492000      1.728000  
1 1 1 14 17 29 o 27.32000 0.8678000 1.233000       1.736000  
1 1 1 14 17 31 o 41.78000 2.291000  -0.6269000     4.583000  
1 1 1 14 17 33 o 52.98000 1.707000  ?              ?         
1 1 1 14 17 35 o 7.244000 2.375000  -0.9135000     4.750000  
1 1 1 14 17 37 o 17.41000 3.473000  -2.625000      6.947000  
1 1 1 14 17 39 o 30.09000 2.314000  13.73000       4.627000  
1 1 1 14 17 41 o 11.49000 3.496000  5.286000       6.992000  
1 1 1 14 17 43 o 10.36000 2.807000  -1.670000      5.615000  
1 1 1 14 18 0  o 89.05000 2.048000  0.000000       0.000000  
1 1 1 14 18 2  o 88.35000 1.263000  -5.108000      2.526000  
1 1 1 14 18 4  o 66.71000 1.201000  -5.369000      2.402000  
1 1 1 14 18 6  o 82.08000 1.444000  -1.790000      2.889000  
1 1 1 14 18 8  o 9.035000 2.305000  4.225000       4.611000  
1 1 1 14 18 10 o 51.39000 1.099000  -3.761000      2.198000  
1 1 1 14 18 12 o 135.6000 2.170000  -2.245000      4.339000  
1 1 1 14 18 14 o 77.20000 1.243000  -0.9315000     2.485000  
1 1 1 14 18 16 f 52.88000 1.092000  0.7507000      2.184000  
1 1 1 14 18 18 o 41.50000 1.125000  3.533000       2.249000  
1 1 1 14 18 20 o 40.45000 1.874000  0.5523000      3.748000  
1 1 1 14 18 22 f 48.39000 1.051000  1.355000       2.101000  
1 1 1 14 18 24 o 91.43000 1.390000  7.166000       2.781000  
1 1 1 14 18 26 o 21.47000 1.015000  0.6813000      2.029000  
1 1 1 14 18 28 o 48.44000 0.9924000 1.335000       1.985000  
1 1 1 14 18 30 o 24.44000 0.8707000 -1.557000      1.741000  
1 1 1 14 18 32 o 25.32000 3.508000  -10.24000      7.016000  
1 1 1 14 18 34 o 23.65000 4.114000  -5.133000      8.229000  
1 1 1 14 18 36 o 16.32000 3.377000  -2.011000      6.753000  
1 1 1 14 18 38 o 11.58000 3.386000  6.531000       6.773000  
1 1 1 14 18 40 o 13.89000 3.294000  2.021000       6.587000  
1 1 1 14 18 42 o 9.264000 2.905000  3.695000       5.809000  
1 1 1 14 19 1  o 11.76000 2.475000  2.022000       4.950000  
1 1 1 14 19 3  o 20.54000 1.819000  1.049000       3.638000  
1 1 1 14 19 5  o 69.45000 1.289000  -0.3630000     2.578000  
1 1 1 14 19 7  o 47.42000 1.192000  -1.902000      2.384000  
1 1 1 14 19 9  o 43.40000 1.015000  -1.556000      2.030000  
1 1 1 14 19 11 o 58.14000 1.070000  2.312000       2.140000  
1 1 1 14 19 13 o 38.18000 1.110000  -2.919000      2.220000  
1 1 1 14 19 15 o 19.54000 1.568000  1.627000       3.136000  
1 1 1 14 19 17 o 60.75000 1.181000  0.7739000      2.362000  
1 1 1 14 19 19 o 54.23000 1.066000  0.4710000      2.132000  
1 1 1 14 19 21 o 55.84000 1.666000  -0.5544000     3.333000  
1 1 1 14 19 23 o 9.384000 1.989000  -2.362000      3.977000  
1 1 1 14 19 25 o 42.13000 0.9743000 0.2218000      1.949000  
1 1 1 14 19 27 o 38.00000 0.9217000 -1.023000      1.843000  
1 1 1 14 19 29 o 31.78000 0.9281000 -0.3746000     1.856000  
1 1 1 14 19 31 o 29.83000 0.9715000 -0.1634000E-01 1.943000  
1 1 1 14 19 33 o 55.47000 1.792000  2.843000       3.585000  
1 1 1 14 19 35 o 32.07000 2.774000  6.517000       5.548000  
1 1 1 14 19 37 o 25.94000 3.083000  -0.2823000     6.166000  
1 1 1 14 19 39 o 21.92000 3.148000  5.663000       6.297000  
1 1 1 14 19 41 o 30.61000 2.563000  -4.126000      5.126000  
1 1 1 14 20 0  o 66.49000 1.469000  0.000000       0.000000  
1 1 1 14 20 2  o 24.19000 1.480000  1.467000       2.961000  
1 1 1 14 20 4  o 24.90000 1.558000  -4.393000      3.117000  
1 1 1 14 20 6  o 56.49000 1.198000  -4.460000      2.396000  
1 1 1 14 20 8  o 82.15000 1.167000  1.020000       2.335000  
1 1 1 14 20 10 o 92.07000 1.404000  -0.2880000     2.808000  
1 1 1 14 20 12 o 74.76000 1.192000  0.8894000      2.383000  
1 1 1 14 20 14 o 26.75000 1.316000  -5.919000      2.632000  
1 1 1 14 20 16 o 71.71000 1.315000  2.622000       2.629000  
1 1 1 14 20 18 f 38.59000 1.053000  -0.7627000     2.106000  
1 1 1 14 20 20 o 33.82000 1.118000  1.168000       2.237000  
1 1 1 14 20 22 o 26.80000 4.425000  0.4262000      8.849000  
1 1 1 14 20 24 o 59.03000 1.166000  -0.9984000     2.331000  
1 1 1 14 20 26 o 32.69000 0.9606000 -1.917000      1.921000  
1 1 1 14 20 28 o 55.57000 1.178000  1.288000       2.357000  
1 1 1 14 20 30 o 30.25000 1.005000  -1.585000      2.009000  
1 1 1 14 20 32 o 46.72000 3.396000  -4.084000      6.791000  
1 1 1 14 20 34 o 23.11000 3.660000  -10.10000      7.320000  
1 1 1 14 20 36 o 27.52000 3.437000  -2.590000      6.875000  
1 1 1 14 20 38 o 16.28000 3.352000  0.6924000      6.703000  
1 1 1 14 20 40 o 39.65000 2.353000  -0.7848000     4.707000  
1 1 1 14 20 42 o 39.39000 1.835000  -5.796000      3.669000  
1 1 1 14 21 1  o 103.6000 1.602000  -4.621000      3.203000  
1 1 1 14 21 3  o 80.86000 1.249000  -0.1763000     2.498000  
1 1 1 14 21 5  o 15.61000 2.032000  0.6530000      4.064000  
1 1 1 14 21 7  o 57.24000 1.015000  -1.154000      2.030000  
1 1 1 14 21 9  o 57.21000 1.021000  -3.748000      2.043000  
1 1 1 14 21 11 o 23.82000 1.740000  -2.598000      3.481000  
1 1 1 14 21 13 o 22.38000 1.486000  3.389000       2.973000  
1 1 1 14 21 15 o 93.82000 1.482000  2.221000       2.964000  
1 1 1 14 21 17 o 39.35000 1.069000  0.4760000      2.139000  
1 1 1 14 21 19 o 19.34000 1.621000  -1.638000      3.242000  
1 1 1 14 21 21 o 14.68000 1.797000  0.2257000      3.595000  
1 1 1 14 21 23 o 50.13000 1.775000  3.470000       3.549000  
1 1 1 14 21 25 o 17.75000 1.349000  -1.289000      2.699000  
1 1 1 14 21 27 o 20.42000 1.183000  -1.395000      2.366000  
1 1 1 14 21 29 o 15.57000 1.471000  -3.980000      2.942000  
1 1 1 14 21 31 o 17.84000 1.506000  -5.663000      3.013000  
1 1 1 14 21 33 o 29.14000 3.951000  -10.02000      7.903000  
1 1 1 14 21 35 f 27.62000 3.414000  1.895000       6.828000  
1 1 1 14 21 37 o 25.26000 4.500000  1.234000       8.999000  
1 1 1 14 21 39 o 19.40000 3.367000  -4.576000      6.735000  
1 1 1 14 21 41 o 17.02000 3.105000  2.193000       6.209000  
1 1 1 14 22 0  o 50.74000 1.614000  0.000000       0.000000  
1 1 1 14 22 2  o 56.41000 1.113000  -0.9624000     2.227000  
1 1 1 14 22 4  o 69.56000 1.104000  -2.300000      2.207000  
1 1 1 14 22 6  o 56.30000 1.047000  -0.5747000     2.094000  
1 1 1 14 22 8  o 64.50000 1.066000  2.525000       2.132000  
1 1 1 14 22 10 o 35.71000 1.121000  -1.408000      2.242000  
1 1 1 14 22 12 o 32.22000 1.437000  1.669000       2.875000  
1 1 1 14 22 14 o 50.12000 1.146000  -2.431000      2.292000  
1 1 1 14 22 16 o 33.38000 1.269000  0.1501000      2.538000  
1 1 1 14 22 18 o 19.20000 1.539000  2.467000       3.078000  
1 1 1 14 22 20 o 36.74000 1.127000  5.333000       2.254000  
1 1 1 14 22 22 o 28.33000 1.240000  -2.667000      2.479000  
1 1 1 14 22 24 o 14.22000 3.318000  4.086000       6.636000  
1 1 1 14 22 26 o 37.00000 1.070000  -3.562000      2.140000  
1 1 1 14 22 28 o 22.02000 1.211000  0.3607000E-01  2.422000  
1 1 1 14 22 30 o 6.990000 2.247000  -0.3505000     4.494000  
1 1 1 14 22 32 o 32.68000 1.184000  1.282000       2.369000  
1 1 1 14 22 34 o 27.81000 4.650000  -3.275000      9.300000  
1 1 1 14 22 36 o 26.38000 3.552000  0.8952000      7.103000  
1 1 1 14 22 38 o 24.48000 3.678000  -6.417000      7.356000  
1 1 1 14 22 40 f 8.826000 2.554000  -2.340000      5.108000  
1 1 1 14 23 1  o 32.45000 1.474000  0.5203000      2.948000  
1 1 1 14 23 3  o 73.71000 1.246000  -0.1052000     2.493000  
1 1 1 14 23 5  o 89.25000 1.288000  1.934000       2.575000  
1 1 1 14 23 7  o 58.25000 1.067000  -0.3279000     2.135000  
1 1 1 14 23 9  o 77.98000 1.209000  2.927000       2.417000  
1 1 1 14 23 11 o 64.84000 1.130000  0.7066000      2.259000  
1 1 1 14 23 13 o 49.20000 1.270000  -0.6447000     2.539000  
1 1 1 14 23 15 o 25.98000 1.496000  -0.3510000     2.992000  
1 1 1 14 23 17 o 28.82000 1.340000  0.8806000      2.680000  
1 1 1 14 23 19 o 75.26000 1.274000  1.179000       2.548000  
1 1 1 14 23 21 o 7.461000 2.229000  1.207000       4.458000  
1 1 1 14 23 23 o 46.08000 1.145000  -0.5672000     2.289000  
1 1 1 14 23 25 o 56.64000 3.274000  1.306000       6.548000  
1 1 1 14 23 27 o 35.54000 1.166000  2.495000       2.332000  
1 1 1 14 23 29 o 7.567000 2.235000  -0.2045000     4.470000  
1 1 1 14 23 31 o 43.65000 1.329000  3.107000       2.658000  
1 1 1 14 23 33 o 8.531000 1.991000  -4.600000      3.982000  
1 1 1 14 23 35 f 29.73000 4.348000  -1.427000      8.696000  
1 1 1 14 23 37 o 14.73000 3.473000  0.9208000E-01  6.946000  
1 1 1 14 23 39 o 23.60000 3.964000  -13.81000      7.928000  
1 1 1 14 23 41 o 15.71000 4.645000  ?              ?         
1 1 1 14 24 0  o 12.39000 4.243000  0.000000       0.000000  
1 1 1 14 24 2  o 11.74000 2.735000  -0.5866000     5.470000  
1 1 1 14 24 4  o 69.02000 1.244000  0.9469000      2.487000  
1 1 1 14 24 6  o 46.72000 1.162000  4.273000       2.324000  
1 1 1 14 24 8  o 111.0000 1.543000  -6.410000      3.086000  
1 1 1 14 24 10 o 39.69000 1.227000  -0.7321000     2.454000  
1 1 1 14 24 12 o 30.87000 1.342000  2.354000       2.684000  
1 1 1 14 24 14 o 23.66000 2.194000  -3.572000      4.388000  
1 1 1 14 24 16 o 20.66000 1.854000  -1.230000      3.707000  
1 1 1 14 24 18 f 27.92000 1.439000  -1.352000      2.878000  
1 1 1 14 24 20 o 16.88000 2.276000  -5.308000      4.551000  
1 1 1 14 24 22 o 28.26000 1.445000  0.5345000      2.890000  
1 1 1 14 24 24 o 65.30000 1.260000  2.726000       2.519000  
1 1 1 14 24 26 o 32.53000 2.779000  8.079000       5.558000  
1 1 1 14 24 28 o 35.12000 1.528000  -2.346000      3.056000  
1 1 1 14 24 30 o 13.96000 3.231000  -9.314000      6.462000  
1 1 1 14 24 32 o 7.075000 2.104000  -1.269000      4.208000  
1 1 1 14 24 34 o 13.53000 1.806000  -1.088000      3.613000  
1 1 1 14 24 36 f 16.95000 3.669000  -0.6120000     7.338000  
1 1 1 14 24 38 o 12.56000 4.486000  11.25000       8.973000  
1 1 1 14 24 40 o 13.37000 3.268000  -2.414000      6.536000  
1 1 1 14 25 1  o 49.84000 1.290000  -0.3678000     2.579000  
1 1 1 14 25 3  o 52.02000 1.261000  -0.5317000     2.521000  
1 1 1 14 25 5  o 33.54000 1.497000  1.061000       2.994000  
1 1 1 14 25 7  o 34.89000 1.364000  3.846000       2.727000  
1 1 1 14 25 9  o 43.10000 1.230000  -0.7604000     2.459000  
1 1 1 14 25 11 o 13.14000 2.809000  -3.391000      5.618000  
1 1 1 14 25 13 o 33.77000 1.586000  -1.778000      3.172000  
1 1 1 14 25 15 o 32.31000 1.565000  -0.3563000     3.131000  
1 1 1 14 25 17 o 75.44000 1.309000  1.129000       2.618000  
1 1 1 14 25 19 o 65.33000 1.234000  2.556000       2.468000  
1 1 1 14 25 21 o 56.11000 1.357000  -1.187000      2.715000  
1 1 1 14 25 23 o 12.53000 2.493000  0.7704000      4.986000  
1 1 1 14 25 25 o 50.24000 1.354000  5.156000       2.709000  
1 1 1 14 25 29 o 16.64000 3.697000  -6.093000      7.395000  
1 1 1 14 25 31 o 33.22000 1.247000  -1.464000      2.493000  
1 1 1 14 25 33 o 12.51000 2.127000  -5.120000      4.255000  
1 1 1 14 25 35 o 21.73000 1.949000  ?              ?         
1 1 1 14 25 37 o 16.93000 2.678000  -11.95000      5.357000  
1 1 1 14 25 39 o 21.39000 3.053000  -15.40000      6.106000  
1 1 1 14 26 0  o 63.48000 1.766000  0.000000       0.000000  
1 1 1 14 26 2  o 53.27000 1.201000  -1.478000      2.403000  
1 1 1 14 26 4  o 23.46000 2.056000  -0.8885000     4.111000  
1 1 1 14 26 6  o 38.88000 1.374000  2.011000       2.748000  
1 1 1 14 26 8  o 73.04000 1.328000  0.7997000      2.655000  
1 1 1 14 26 10 o 64.66000 1.226000  0.8630000      2.452000  
1 1 1 14 26 12 o 46.54000 1.203000  -0.2188000     2.406000  
1 1 1 14 26 14 o 11.91000 2.861000  0.2073000      5.721000  
1 1 1 14 26 16 o 14.70000 2.514000  -1.874000      5.028000  
1 1 1 14 26 18 o 34.42000 1.539000  -3.334000      3.078000  
1 1 1 14 26 20 o 21.18000 1.965000  -1.261000      3.930000  
1 1 1 14 26 22 o 11.02000 2.659000  5.158000       5.318000  
1 1 1 14 26 24 o 8.999000 2.550000  3.294000       5.100000  
1 1 1 14 26 26 o 26.37000 2.401000  -2.044000      4.802000  
1 1 1 14 26 28 o 8.700000 4.162000  ?              ?         
1 1 1 14 26 30 o 23.77000 1.704000  -2.554000      3.408000  
1 1 1 14 26 32 o 22.71000 3.788000  -14.40000      7.576000  
1 1 1 14 26 34 o 27.89000 1.303000  -1.300000      2.606000  
1 1 1 14 26 36 o 31.35000 5.367000  -15.24000      10.73000  
1 1 1 14 26 38 o 33.48000 1.819000  -5.099000      3.639000  
1 1 1 14 27 1  o 55.22000 1.330000  1.829000       2.661000  
1 1 1 14 27 3  o 50.03000 1.274000  -1.196000      2.548000  
1 1 1 14 27 5  o 45.55000 1.462000  4.589000       2.924000  
1 1 1 14 27 7  o 44.86000 1.319000  -5.254000      2.638000  
1 1 1 14 27 9  o 38.29000 1.474000  -5.939000      2.948000  
1 1 1 14 27 11 o 28.47000 1.756000  -0.3946000     3.512000  
1 1 1 14 27 13 o 26.80000 1.868000  2.643000       3.737000  
1 1 1 14 27 15 f 17.00000 2.644000  -1.440000      5.288000  
1 1 1 14 27 17 o 23.50000 2.041000  -2.756000      4.082000  
1 1 1 14 27 19 o 43.74000 1.392000  4.439000       2.785000  
1 1 1 14 27 21 o 56.67000 1.482000  2.213000       2.964000  
1 1 1 14 27 23 o 9.730000 2.841000  3.674000       5.683000  
1 1 1 14 27 25 o 52.31000 1.760000  -2.155000      3.519000  
1 1 1 14 27 27 o 8.682000 4.174000  ?              ?         
1 1 1 14 27 29 o 27.63000 5.071000  -11.48000      10.14000  
1 1 1 14 27 31 o 8.558000 2.389000  -0.9018000     4.778000  
1 1 1 14 27 33 o 19.00000 1.625000  -3.792000      3.250000  
1 1 1 14 27 35 o 24.40000 1.270000  -3.760000      2.540000  
1 1 1 14 27 37 o 43.60000 2.232000  -0.8086000E-01 4.464000  
1 1 1 14 28 0  o 17.30000 4.234000  0.000000       0.000000  
1 1 1 14 28 2  f 8.984000 2.855000  0.2802000      5.710000  
1 1 1 14 28 4  o 31.34000 1.743000  1.270000       3.487000  
1 1 1 14 28 6  o 29.34000 1.780000  -4.233000      3.559000  
1 1 1 14 28 8  o 95.19000 1.630000  -2.434000      3.260000  
1 1 1 14 28 10 o 28.82000 1.888000  -4.082000      3.775000  
1 1 1 14 28 12 o 14.04000 3.173000  2.516000       6.345000  
1 1 1 14 28 14 o 29.84000 1.681000  -3.448000      3.361000  
1 1 1 14 28 16 o 29.17000 1.773000  -0.5846000E-01 3.546000  
1 1 1 14 28 18 o 27.71000 1.965000  -1.868000      3.930000  
1 1 1 14 28 20 o 23.94000 2.100000  2.098000       4.199000  
1 1 1 14 28 22 o 17.95000 3.178000  8.578000       6.356000  
1 1 1 14 28 24 o 39.03000 2.145000  10.42000       4.290000  
1 1 1 14 28 26 o 11.86000 5.765000  ?              ?         
1 1 1 14 28 28 o 33.82000 1.598000  0.4761000      3.196000  
1 1 1 14 28 30 o 33.12000 4.547000  -7.028000      9.094000  
1 1 1 14 28 32 o 10.11000 2.638000  0.2816000      5.275000  
1 1 1 14 28 34 o 14.57000 2.298000  -1.387000      4.597000  
1 1 1 14 28 36 o 27.60000 2.228000  2.729000       4.456000  
1 1 1 14 29 1  o 26.84000 2.089000  1.414000       4.179000  
1 1 1 14 29 3  o 47.91000 1.381000  0.8580000      2.763000  
1 1 1 14 29 5  o 53.73000 1.375000  -1.493000      2.750000  
1 1 1 14 29 7  o 13.53000 3.223000  -2.300000      6.445000  
1 1 1 14 29 9  o 20.37000 2.804000  2.483000       5.609000  
1 1 1 14 29 11 o 37.37000 2.365000  4.476000       4.730000  
1 1 1 14 29 13 o 53.67000 1.486000  -0.6742000E-01 2.971000  
1 1 1 14 29 15 o 18.25000 3.168000  -0.7829000     6.336000  
1 1 1 14 29 17 o 20.60000 3.155000  -4.965000      6.309000  
1 1 1 14 29 19 o 38.38000 1.641000  0.5207000E-01  3.282000  
1 1 1 14 29 21 o 12.40000 3.432000  8.203000       6.864000  
1 1 1 14 29 23 o 62.21000 1.914000  ?              ?         
1 1 1 14 29 25 o 13.31000 3.303000  -0.5072000E-01 6.606000  
1 1 1 14 29 27 o 34.10000 1.731000  -0.5678000     3.461000  
1 1 1 14 29 29 o 44.08000 1.391000  0.3744000      2.781000  
1 1 1 14 29 31 o 17.82000 3.756000  -2.915000      7.513000  
1 1 1 14 29 33 o 12.13000 2.591000  -2.457000      5.182000  
1 1 1 14 29 35 o 19.77000 2.086000  5.893000       4.173000  
1 1 1 14 30 0  o 28.94000 2.953000  0.000000       0.000000  
1 1 1 14 30 2  o 16.90000 3.206000  -0.7659000     6.412000  
1 1 1 14 30 4  o 18.71000 3.033000  -3.526000      6.066000  
1 1 1 14 30 6  o 25.71000 2.348000  4.264000       4.697000  
1 1 1 14 30 8  o 48.14000 1.478000  3.705000       2.957000  
1 1 1 14 30 10 o 35.66000 1.711000  -1.990000      3.422000  
1 1 1 14 30 12 o 26.70000 2.239000  -0.3069000E-01 4.478000  
1 1 1 14 30 14 o 33.07000 2.073000  -1.315000      4.146000  
1 1 1 14 30 16 o 27.45000 2.431000  -1.822000      4.862000  
1 1 1 14 30 18 o 30.77000 2.009000  5.421000       4.018000  
1 1 1 14 30 20 o 14.40000 7.211000  ?              ?         
1 1 1 14 30 22 o 20.34000 2.637000  -17.68000      5.274000  
1 1 1 14 30 24 o 10.02000 3.022000  5.676000       6.045000  
1 1 1 14 30 26 o 34.28000 1.801000  -0.9823000     3.602000  
1 1 1 14 30 28 o 21.08000 2.410000  -3.366000      4.819000  
1 1 1 14 30 30 o 15.27000 2.672000  -4.378000      5.344000  
1 1 1 14 30 32 o 15.37000 3.342000  -2.552000      6.685000  
1 1 1 14 30 34 o 31.56000 1.375000  2.180000       2.751000  
1 1 1 14 31 1  o 19.86000 3.034000  -2.717000      6.069000  
1 1 1 14 31 3  o 40.98000 1.704000  2.434000       3.409000  
1 1 1 14 31 5  o 43.85000 1.611000  6.979000       3.222000  
1 1 1 14 31 7  o 23.42000 3.025000  1.958000       6.049000  
1 1 1 14 31 9  o 38.80000 1.960000  2.404000       3.919000  
1 1 1 14 31 11 o 39.84000 1.530000  2.631000       3.060000  
1 1 1 14 31 13 o 27.81000 2.126000  -0.2719000     4.253000  
1 1 1 14 31 15 o 25.83000 3.039000  4.866000       6.079000  
1 1 1 14 31 17 o 8.353000 2.722000  1.640000       5.444000  
1 1 1 14 31 19 o 33.44000 2.493000  -5.821000      4.986000  
1 1 1 14 31 23 o 39.83000 1.970000  -3.686000      3.941000  
1 1 1 14 31 25 o 24.63000 2.684000  -1.661000      5.368000  
1 1 1 14 31 27 o 37.48000 1.564000  -2.048000      3.128000  
1 1 1 14 31 29 o 26.30000 4.059000  -6.253000      8.118000  
1 1 1 14 31 31 o 8.218000 2.359000  0.8775000      4.718000  
1 1 1 14 31 33 o 19.13000 2.850000  -3.036000      5.701000  
1 1 1 14 32 0  o 19.87000 5.503000  0.000000       0.000000  
1 1 1 14 32 2  o 17.82000 3.626000  -5.683000      7.252000  
1 1 1 14 32 4  o 18.77000 3.923000  1.102000       7.847000  
1 1 1 14 32 6  o 29.49000 2.256000  -0.5263000     4.513000  
1 1 1 14 32 8  o 36.72000 1.840000  -4.348000      3.681000  
1 1 1 14 32 10 f 68.23000 1.690000  8.029000       3.381000  
1 1 1 14 32 12 o 52.23000 1.794000  -1.864000      3.588000  
1 1 1 14 32 14 o 33.48000 3.670000  -14.15000      7.340000  
1 1 1 14 32 16 o 22.16000 4.044000  -11.97000      8.089000  
1 1 1 14 32 18 o 51.24000 1.897000  -4.637000      3.794000  
1 1 1 14 32 20 o 6.493000 2.248000  2.669000       4.496000  
1 1 1 14 32 22 o 20.66000 3.119000  -3.326000      6.239000  
1 1 1 14 32 24 f 16.18000 3.137000  -1.083000      6.274000  
1 1 1 14 32 26 o 11.79000 2.772000  -1.581000      5.544000  
1 1 1 14 32 28 o 10.61000 2.896000  0.4015000      5.792000  
1 1 1 14 32 30 o 6.528000 2.178000  1.862000       4.357000  
1 1 1 14 32 32 o 36.83000 1.486000  -0.7647000     2.971000  
1 1 1 14 33 1  o 22.08000 3.539000  3.813000       7.077000  
1 1 1 14 33 3  o 18.60000 4.034000  5.749000       8.068000  
1 1 1 14 33 5  o 16.16000 4.062000  3.082000       8.124000  
1 1 1 14 33 7  o 52.20000 2.291000  -0.6691000     4.583000  
1 1 1 14 33 9  o 13.84000 3.960000  -0.6321000     7.920000  
1 1 1 14 33 11 o 18.60000 3.668000  2.001000       7.336000  
1 1 1 14 33 13 o 6.524000 3.242000  ?              ?         
1 1 1 14 33 15 o 64.23000 2.916000  -6.677000      5.831000  
1 1 1 14 33 17 o 7.039000 3.419000  ?              ?         
1 1 1 14 33 19 o 8.920000 2.579000  4.000000       5.157000  
1 1 1 14 33 21 o 36.29000 2.350000  7.116000       4.701000  
1 1 1 14 33 23 o 24.49000 2.425000  -2.064000      4.850000  
1 1 1 14 33 25 o 12.10000 2.979000  0.2861000      5.957000  
1 1 1 14 33 27 o 13.05000 3.004000  -2.015000      6.008000  
1 1 1 14 33 29 o 10.77000 2.725000  -0.3383000     5.450000  
1 1 1 14 33 31 f 37.60000 1.600000  -0.9336000     3.199000  
1 1 1 14 34 0  o 21.44000 4.620000  0.000000       0.000000  
1 1 1 14 34 2  o 44.11000 1.934000  -1.836000      3.867000  
1 1 1 14 34 4  o 41.78000 1.930000  -4.547000      3.859000  
1 1 1 14 34 6  o 17.74000 3.207000  1.200000       6.413000  
1 1 1 14 34 8  o 10.55000 3.472000  -0.3015000     6.943000  
1 1 1 14 34 10 o 9.243000 4.594000  ?              ?         
1 1 1 14 34 12 o 61.88000 3.075000  -0.5091000     6.150000  
1 1 1 14 34 14 o 6.941000 2.444000  0.9940000      4.888000  
1 1 1 14 34 16 o 8.382000 3.885000  ?              ?         
1 1 1 14 34 18 o 16.01000 5.133000  7.882000       10.27000  
1 1 1 14 34 20 o 50.27000 2.408000  9.819000       4.816000  
1 1 1 14 34 22 o 24.82000 3.566000  8.191000       7.132000  
1 1 1 14 34 24 f 22.06000 3.760000  8.844000       7.521000  
1 1 1 14 34 26 o 17.34000 3.824000  7.047000       7.647000  
1 1 1 14 34 28 o 10.88000 2.923000  5.514000       5.847000  
1 1 1 14 34 30 o 24.23000 2.461000  0.1066000      4.922000  
1 1 1 14 35 1  o 37.03000 2.257000  -6.596000      4.513000  
1 1 1 14 35 3  o 9.578000 4.669000  ?              ?         
1 1 1 14 35 5  o 8.264000 2.902000  -1.280000      5.805000  
1 1 1 14 35 9  f 56.46000 1.835000  0.8545000      3.670000  
1 1 1 14 35 11 o 9.136000 4.574000  ?              ?         
1 1 1 14 35 13 o 8.214000 2.594000  0.7401000      5.187000  
1 1 1 14 35 15 o 12.02000 3.698000  -4.146000      7.396000  
1 1 1 14 35 17 o 19.59000 4.505000  5.353000       9.009000  
1 1 1 14 35 19 o 13.48000 4.250000  4.498000       8.501000  
1 1 1 14 35 21 o 25.01000 3.852000  -3.896000      7.704000  
1 1 1 14 35 23 o 28.43000 3.410000  1.239000       6.820000  
1 1 1 14 35 25 o 8.388000 2.716000  0.9228000      5.433000  
1 1 1 14 35 27 o 9.256000 3.135000  1.173000       6.269000  
1 1 1 14 35 29 o 6.450000 2.234000  2.384000       4.468000  
1 1 1 14 36 0  o 67.88000 1.960000  0.000000       0.000000  
1 1 1 14 36 2  f 71.89000 1.589000  2.187000       3.178000  
1 1 1 14 36 4  o 43.86000 2.060000  -2.620000      4.120000  
1 1 1 14 36 8  o 6.630000 2.301000  -0.6944000     4.602000  
1 1 1 14 36 10 f 6.588000 2.243000  0.3141000      4.486000  
1 1 1 14 36 12 o 17.88000 4.187000  -1.336000      8.375000  
1 1 1 14 36 14 o 12.05000 3.736000  -2.937000      7.473000  
1 1 1 14 36 16 o 18.00000 3.925000  3.413000       7.849000  
1 1 1 14 36 18 o 15.96000 3.879000  -4.125000      7.757000  
1 1 1 14 36 20 o 17.64000 3.622000  2.207000       7.244000  
1 1 1 14 36 22 o 12.97000 3.716000  -1.335000      7.433000  
1 1 1 14 36 24 o 9.066000 2.626000  -1.558000      5.252000  
1 1 1 14 36 26 o 26.87000 3.028000  ?              ?         
1 1 1 14 36 28 o 11.63000 3.145000  5.459000       6.290000  
1 1 1 14 37 1  o 5.752000 2.033000  0.3407000E-01  4.066000  
1 1 1 14 37 3  o 6.384000 3.126000  ?              ?         
1 1 1 14 37 5  o 6.793000 2.300000  -0.4157000     4.600000  
1 1 1 14 37 7  o 17.51000 4.894000  4.182000       9.789000  
1 1 1 14 37 9  o 22.66000 3.783000  -2.991000      7.566000  
1 1 1 14 37 11 o 22.21000 3.620000  0.2189000E-01  7.241000  
1 1 1 14 37 13 o 18.36000 3.787000  1.796000       7.574000  
1 1 1 14 37 15 o 16.22000 3.487000  4.314000       6.974000  
1 1 1 14 37 17 o 24.59000 3.167000  2.813000       6.335000  
1 1 1 14 37 19 o 30.90000 2.429000  3.533000       4.859000  
1 1 1 14 37 21 o 11.16000 3.262000  1.437000       6.524000  
1 1 1 14 37 23 o 9.062000 2.734000  3.286000       5.468000  
1 1 1 14 37 25 o 30.94000 1.740000  -2.803000      3.481000  
1 1 1 14 38 0  o 20.79000 7.247000  0.000000       0.000000  
1 1 1 14 38 2  o 28.25000 3.539000  -0.3870000     7.077000  
1 1 1 14 38 4  o 30.50000 2.872000  -1.121000      5.744000  
1 1 1 14 38 6  o 16.99000 4.045000  4.019000       8.089000  
1 1 1 14 38 8  o 38.83000 2.134000  1.733000       4.269000  
1 1 1 14 38 10 o 31.68000 2.294000  -4.165000      4.588000  
1 1 1 14 38 12 o 25.72000 2.669000  -1.736000      5.338000  
1 1 1 14 38 14 o 24.88000 2.732000  0.2024000      5.465000  
1 1 1 14 38 16 o 20.91000 3.370000  -7.343000      6.741000  
1 1 1 14 38 18 o 14.26000 3.649000  -2.401000      7.299000  
1 1 1 14 38 20 o 23.87000 2.473000  -1.324000      4.946000  
1 1 1 14 38 22 o 12.15000 2.717000  8.500000       5.435000  
1 1 1 14 38 24 o 11.59000 2.775000  7.065000       5.550000  
1 1 1 14 39 1  o 17.82000 4.578000  4.252000       9.156000  
1 1 1 14 39 3  o 9.796000 3.185000  -0.2245000     6.369000  
1 1 1 14 39 5  o 15.88000 4.118000  1.276000       8.236000  
1 1 1 14 39 7  f 10.03000 3.205000  -2.500000      6.409000  
1 1 1 14 39 9  o 21.63000 3.883000  -7.458000      7.766000  
1 1 1 14 39 11 o 12.21000 3.430000  0.3589000      6.860000  
1 1 1 14 39 13 o 12.60000 3.606000  0.9873000E-01  7.212000  
1 1 1 14 39 15 o 22.78000 3.296000  -0.2825000     6.591000  
1 1 1 14 39 17 o 14.09000 2.958000  -1.696000      5.917000  
1 1 1 14 39 19 o 8.582000 2.634000  2.896000       5.267000  
1 1 1 14 39 21 o 26.12000 1.707000  -4.847000      3.414000  
1 1 1 14 39 23 o 14.57000 5.305000  ?              ?         
1 1 1 14 40 0  f 29.65000 5.063000  0.000000       0.000000  
1 1 1 14 40 2  o 25.20000 2.952000  -12.86000      5.903000  
1 1 1 14 40 4  o 33.83000 3.373000  -16.31000      6.747000  
1 1 1 14 40 6  f 13.99000 3.660000  2.220000       7.319000  
1 1 1 14 40 8  o 16.70000 3.983000  -0.5470000     7.966000  
1 1 1 14 40 10 o 19.86000 3.493000  5.352000       6.987000  
1 1 1 14 40 12 f 21.48000 3.336000  2.395000       6.672000  
1 1 1 14 40 14 o 12.86000 3.083000  2.430000       6.166000  
1 1 1 14 40 16 o 6.724000 2.302000  -0.7329000     4.603000  
1 1 1 14 40 18 o 6.307000 2.133000  0.7087000      4.266000  
1 1 1 14 40 20 o 18.31000 2.420000  1.019000       4.841000  
1 1 1 14 41 1  o 12.73000 3.775000  2.987000       7.550000  
1 1 1 14 41 3  o 13.59000 3.807000  -1.462000      7.613000  
1 1 1 14 41 5  o 27.15000 5.603000  6.316000       11.21000  
1 1 1 14 41 7  o 32.88000 2.622000  8.285000       5.244000  
1 1 1 14 41 9  o 15.78000 4.207000  1.266000       8.414000  
1 1 1 14 41 11 o 9.694000 2.773000  1.671000       5.545000  
1 1 1 14 41 13 o 7.778000 2.469000  4.034000       4.937000  
1 1 1 14 41 15 o 5.893000 2.886000  ?              ?         
1 1 1 14 41 17 o 39.78000 2.028000  6.097000       4.056000  
1 1 1 14 42 0  o 14.78000 4.260000  0.000000       0.000000  
1 1 1 14 42 2  o 10.66000 2.990000  -0.7027000     5.981000  
1 1 1 14 42 4  o 16.13000 3.437000  -1.248000      6.873000  
1 1 1 14 42 6  o 11.76000 3.090000  0.6346000E-01  6.179000  
1 1 1 14 42 8  o 7.628000 2.543000  1.369000       5.086000  
1 1 1 14 42 10 o 9.013000 2.809000  2.752000       5.618000  
1 1 1 14 42 12 o 8.394000 2.549000  2.778000       5.097000  
1 1 1 14 42 14 o 16.90000 2.986000  5.116000       5.972000  
1 1 1 14 42 16 f 16.62000 4.990000  ?              ?         
1 1 1 14 43 1  o 7.700000 2.583000  0.8335000      5.167000  
1 1 1 14 43 5  o 8.179000 2.785000  -0.8908000     5.569000  
1 1 1 14 43 7  o 12.36000 2.867000  -6.780000      5.734000  
1 1 1 14 43 9  o 38.54000 1.570000  -7.515000      3.140000  
1 1 1 14 43 11 o 8.800000 2.608000  6.844000       5.216000  
1 1 1 14 44 0  o 28.65000 3.545000  0.000000       0.000000  
1 1 1 14 44 2  o 30.23000 2.528000  5.543000       5.055000  
1 1 1 14 44 4  o 10.77000 3.364000  -2.712000      6.728000  
1 1 1 14 44 6  o 7.517000 2.443000  1.477000       4.886000  
1 1 1 15 0  1  o 45.48000 0.9245000 0.000000       0.000000  
1 1 1 15 0  3  o 6.850000 1.857000  0.000000       0.000000  
1 1 1 15 0  5  o 103.3000 1.885000  0.000000       0.000000  
1 1 1 15 0  7  o 53.43000 1.048000  0.000000       0.000000  
1 1 1 15 0  9  o 120.1000 2.188000  0.000000       0.000000  
1 1 1 15 0  11 o 96.35000 2.527000  0.000000       0.000000  
1 1 1 15 0  13 o 121.1000 2.218000  0.000000       0.000000  
1 1 1 15 0  15 o 4.083000 1.972000  0.000000       0.000000  
1 1 1 15 0  17 f 23.71000 1.385000  0.000000       0.000000  
1 1 1 15 0  19 o 23.77000 1.088000  0.000000       0.000000  
1 1 1 15 0  21 o 71.92000 1.399000  0.000000       0.000000  
1 1 1 15 0  23 o 39.17000 1.870000  0.000000       0.000000  
1 1 1 15 0  25 o 82.13000 1.602000  0.000000       0.000000  
1 1 1 15 0  27 o 11.10000 2.070000  0.000000       0.000000  
1 1 1 15 0  29 o 43.12000 1.106000  0.000000       0.000000  
1 1 1 15 0  31 o 12.69000 1.684000  0.000000       0.000000  
1 1 1 15 0  33 f 56.36000 1.337000  0.000000       0.000000  
1 1 1 15 0  35 o 22.20000 1.206000  0.000000       0.000000  
1 1 1 15 0  37 o 20.28000 2.720000  0.000000       0.000000  
1 1 1 15 0  39 o 43.96000 1.639000  0.000000       0.000000  
1 1 1 15 0  41 o 43.93000 1.355000  0.000000       0.000000  
1 1 1 15 0  45 o 42.19000 2.156000  0.000000       0.000000  
1 1 1 15 1  0  o 35.32000 0.8041000 0.000000       0.000000  
1 1 1 15 1  2  o 71.72000 0.9476000 -1.491000      1.895000  
1 1 1 15 1  4  f 160.1000 2.045000  0.9689000      4.090000  
1 1 1 15 1  6  o 79.20000 1.038000  0.8511000      2.075000  
1 1 1 15 1  8  o 65.15000 0.8758000 -0.3923000     1.752000  
1 1 1 15 1  10 o 50.41000 0.7508000 -0.7947000     1.502000  
1 1 1 15 1  12 o 89.30000 1.218000  -2.032000      2.435000  
1 1 1 15 1  14 o 82.55000 1.108000  -0.5153000     2.215000  
1 1 1 15 1  16 o 115.8000 1.509000  0.6897000      3.019000  
1 1 1 15 1  18 o 12.73000 1.394000  -0.2369000     2.787000  
1 1 1 15 1  20 o 53.97000 0.8946000 -2.733000      1.789000  
1 1 1 15 1  22 o 76.46000 1.197000  1.287000       2.393000  
1 1 1 15 1  24 o 66.17000 1.128000  -1.593000      2.256000  
1 1 1 15 1  26 o 45.07000 0.9343000 1.238000       1.869000  
1 1 1 15 1  28 o 21.68000 0.8194000 1.260000       1.639000  
1 1 1 15 1  30 o 43.72000 0.8434000 1.983000       1.687000  
1 1 1 15 1  32 o 43.69000 0.9303000 -0.1566000     1.861000  
1 1 1 15 1  34 o 10.32000 1.783000  -1.933000      3.567000  
1 1 1 15 1  36 o 39.31000 1.002000  0.5675000      2.004000  
1 1 1 15 1  38 o 49.09000 2.284000  11.15000       4.569000  
1 1 1 15 1  40 o 8.273000 2.261000  2.803000       4.522000  
1 1 1 15 1  42 o 35.29000 1.170000  1.809000       2.339000  
1 1 1 15 1  44 o 39.72000 1.250000  -1.506000      2.501000  
1 1 1 15 1  46 o 46.94000 1.606000  0.2559000      3.213000  
1 1 1 15 2  1  o 112.8000 1.453000  1.507000       2.906000  
1 1 1 15 2  3  o 81.48000 1.065000  -0.4202000     2.129000  
1 1 1 15 2  5  f 114.1000 1.469000  0.5544000      2.938000  
1 1 1 15 2  7  o 55.13000 0.7584000 1.121000       1.517000  
1 1 1 15 2  9  o 89.31000 1.205000  -0.4140000     2.410000  
1 1 1 15 2  11 o 26.51000 0.6584000 -1.637000      1.317000  
1 1 1 15 2  13 o 14.89000 1.306000  1.946000       2.612000  
1 1 1 15 2  15 o 58.13000 0.8777000 -1.202000      1.755000  
1 1 1 15 2  17 o 64.53000 0.9853000 0.3262000E-01  1.971000  
1 1 1 15 2  19 o 105.6000 1.584000  0.4862000      3.168000  
1 1 1 15 2  21 o 73.40000 1.534000  -0.4556000     3.069000  
1 1 1 15 2  23 o 81.10000 1.428000  -1.740000      2.856000  
1 1 1 15 2  25 o 16.59000 1.075000  4.626000       2.149000  
1 1 1 15 2  27 o 56.38000 0.9710000 -0.9628000     1.942000  
1 1 1 15 2  29 o 73.91000 1.149000  -0.2557000     2.298000  
1 1 1 15 2  31 o 59.58000 1.031000  0.8842000E-01  2.062000  
1 1 1 15 2  33 o 33.72000 0.9196000 1.977000       1.839000  
1 1 1 15 2  35 o 54.39000 1.028000  3.319000       2.057000  
1 1 1 15 2  37 o 21.09000 1.594000  1.361000       3.188000  
1 1 1 15 2  39 o 33.29000 1.356000  -5.475000      2.712000  
1 1 1 15 2  41 o 14.44000 1.976000  -0.5433000     3.951000  
1 1 1 15 2  43 o 24.83000 1.426000  2.892000       2.852000  
1 1 1 15 2  45 o 7.329000 2.209000  1.052000       4.417000  
1 1 1 15 2  47 o 34.31000 2.465000  ?              ?         
1 1 1 15 3  0  o 161.9000 2.924000  0.000000       0.000000  
1 1 1 15 3  2  o 58.56000 0.7959000 -1.214000      1.592000  
1 1 1 15 3  4  o 88.15000 1.146000  0.9936000E-01  2.293000  
1 1 1 15 3  6  o 47.58000 0.6823000 1.167000       1.365000  
1 1 1 15 3  8  o 113.1000 1.515000  -2.570000      3.029000  
1 1 1 15 3  10 o 129.4000 1.797000  2.796000       3.594000  
1 1 1 15 3  12 o 94.31000 1.337000  -1.165000      2.675000  
1 1 1 15 3  14 o 72.86000 1.043000  -4.339000      2.086000  
1 1 1 15 3  16 o 104.4000 1.377000  -2.303000      2.755000  
1 1 1 15 3  18 o 109.5000 1.661000  -3.253000      3.322000  
1 1 1 15 3  20 o 45.92000 0.8694000 -0.5867000     1.739000  
1 1 1 15 3  22 o 69.59000 1.235000  5.219000       2.470000  
1 1 1 15 3  24 o 87.82000 1.564000  4.043000       3.129000  
1 1 1 15 3  26 o 30.52000 0.8717000 -0.9017000     1.743000  
1 1 1 15 3  28 o 7.992000 1.896000  2.148000       3.792000  
1 1 1 15 3  30 o 24.19000 1.043000  -0.3023000     2.087000  
1 1 1 15 3  32 o 8.906000 2.028000  -0.6003000     4.055000  
1 1 1 15 3  34 o 30.79000 0.9839000 -1.003000      1.968000  
1 1 1 15 3  36 o 18.93000 1.499000  0.9861000      2.998000  
1 1 1 15 3  38 f 51.82000 1.229000  -2.609000      2.459000  
1 1 1 15 3  40 o 23.84000 1.447000  1.362000       2.894000  
1 1 1 15 3  42 o 23.89000 1.403000  -0.3921000     2.806000  
1 1 1 15 3  44 o 9.547000 2.296000  1.401000       4.593000  
1 1 1 15 3  46 o 9.367000 2.381000  -3.728000      4.761000  
1 1 1 15 4  1  o 176.2000 2.250000  -0.4077000     4.501000  
1 1 1 15 4  3  o 46.22000 0.6668000 0.2146000      1.334000  
1 1 1 15 4  5  o 82.18000 1.112000  -0.1409000     2.225000  
1 1 1 15 4  7  o 192.4000 2.537000  0.8411000      5.074000  
1 1 1 15 4  9  o 99.01000 1.544000  -4.885000      3.087000  
1 1 1 15 4  11 o 91.52000 1.245000  -0.4950000     2.490000  
1 1 1 15 4  13 o 52.81000 0.9255000 -2.629000      1.851000  
1 1 1 15 4  15 o 35.57000 0.9188000 2.833000       1.838000  
1 1 1 15 4  17 o 34.43000 0.8643000 2.409000       1.729000  
1 1 1 15 4  19 o 91.79000 1.573000  -0.8831000     3.146000  
1 1 1 15 4  21 o 85.19000 1.459000  0.7632000      2.918000  
1 1 1 15 4  23 f 29.92000 1.230000  0.4438000      2.459000  
1 1 1 15 4  25 o 92.47000 1.592000  1.330000       3.184000  
1 1 1 15 4  27 f 84.47000 1.376000  0.9861000      2.753000  
1 1 1 15 4  29 o 53.02000 1.001000  1.366000       2.002000  
1 1 1 15 4  31 f 30.11000 0.9762000 -0.4368000     1.952000  
1 1 1 15 4  33 o 70.76000 1.146000  -2.869000      2.293000  
1 1 1 15 4  35 o 42.13000 0.9703000 -1.452000      1.941000  
1 1 1 15 4  37 o 17.61000 1.973000  0.9351000      3.945000  
1 1 1 15 4  39 o 10.50000 2.511000  1.502000       5.022000  
1 1 1 15 4  41 o 37.53000 1.116000  0.9534000      2.232000  
1 1 1 15 4  43 o 37.30000 1.091000  0.2847000      2.183000  
1 1 1 15 4  45 o 21.78000 1.239000  -0.4734000     2.477000  
1 1 1 15 5  0  o 102.3000 1.871000  0.000000       0.000000  
1 1 1 15 5  2  o 159.5000 2.038000  2.519000       4.076000  
1 1 1 15 5  4  o 142.3000 1.890000  -3.558000      3.781000  
1 1 1 15 5  6  o 30.83000 0.6112000 -0.8000000E-01 1.222000  
1 1 1 15 5  8  o 102.7000 1.382000  -2.845000      2.764000  
1 1 1 15 5  10 o 108.0000 1.448000  0.3073000      2.896000  
1 1 1 15 5  12 o 15.33000 1.145000  1.266000       2.290000  
1 1 1 15 5  14 f 26.04000 0.8916000 -3.515000      1.783000  
1 1 1 15 5  16 f 65.23000 1.179000  0.7186000      2.358000  
1 1 1 15 5  18 o 114.8000 1.838000  -0.3856000     3.675000  
1 1 1 15 5  20 f 70.80000 1.242000  -0.3299000     2.484000  
1 1 1 15 5  22 o 45.65000 0.8520000 3.728000       1.704000  
1 1 1 15 5  24 o 49.63000 1.224000  5.392000       2.449000  
1 1 1 15 5  26 o 48.58000 1.275000  -0.3823000     2.550000  
1 1 1 15 5  28 o 17.09000 1.366000  -2.494000      2.731000  
1 1 1 15 5  30 o 31.87000 0.9122000 1.279000       1.824000  
1 1 1 15 5  32 o 31.08000 0.9112000 -0.8443000     1.822000  
1 1 1 15 5  34 o 32.83000 0.9336000 -3.804000      1.867000  
1 1 1 15 5  36 o 63.07000 1.399000  -4.118000      2.797000  
1 1 1 15 5  38 o 9.643000 2.604000  2.342000       5.207000  
1 1 1 15 5  40 o 8.266000 2.184000  0.1743000      4.367000  
1 1 1 15 5  42 o 27.33000 1.194000  -2.259000      2.389000  
1 1 1 15 5  44 o 16.49000 1.521000  1.598000       3.041000  
1 1 1 15 5  46 o 28.27000 1.433000  0.2344000      2.865000  
1 1 1 15 6  1  o 206.3000 2.725000  -4.421000      5.450000  
1 1 1 15 6  3  o 88.93000 1.202000  -1.632000      2.405000  
1 1 1 15 6  5  o 113.1000 1.511000  -1.389000      3.022000  
1 1 1 15 6  7  o 132.2000 1.754000  0.7254000      3.508000  
1 1 1 15 6  9  o 51.89000 0.7865000 -0.5270000     1.573000  
1 1 1 15 6  11 o 84.98000 1.169000  1.051000       2.337000  
1 1 1 15 6  13 o 53.00000 0.8829000 0.3671000      1.766000  
1 1 1 15 6  15 o 66.03000 1.033000  -2.677000      2.067000  
1 1 1 15 6  17 o 20.05000 1.219000  0.6555000      2.438000  
1 1 1 15 6  19 o 54.79000 1.041000  0.7119000      2.081000  
1 1 1 15 6  21 o 108.8000 1.646000  0.1918000      3.293000  
1 1 1 15 6  23 o 17.94000 2.238000  -0.8855000     4.477000  
1 1 1 15 6  25 o 57.52000 1.293000  0.6864000      2.587000  
1 1 1 15 6  27 o 30.32000 0.8784000 1.420000       1.757000  
1 1 1 15 6  29 o 60.01000 1.074000  -3.475000      2.148000  
1 1 1 15 6  31 f 24.61000 0.9387000 1.330000       1.877000  
1 1 1 15 6  33 o 14.67000 1.399000  -1.948000      2.797000  
1 1 1 15 6  35 o 42.41000 1.025000  -2.360000      2.050000  
1 1 1 15 6  37 o 38.68000 1.293000  -1.244000      2.586000  
1 1 1 15 6  39 o 57.27000 1.460000  -0.4844000E-01 2.919000  
1 1 1 15 6  41 o 36.80000 1.125000  -0.1429000     2.249000  
1 1 1 15 6  43 o 26.47000 1.188000  -0.5521000     2.376000  
1 1 1 15 6  45 o 11.79000 1.880000  5.535000       3.760000  
1 1 1 15 7  0  o 66.57000 1.272000  0.000000       0.000000  
1 1 1 15 7  2  o 104.4000 1.402000  -3.092000      2.805000  
1 1 1 15 7  4  o 129.7000 1.725000  -0.7091000     3.449000  
1 1 1 15 7  6  o 48.41000 0.7444000 -0.1875000     1.489000  
1 1 1 15 7  8  o 53.50000 0.9568000 -1.134000      1.914000  
1 1 1 15 7  10 o 107.5000 1.447000  1.502000       2.893000  
1 1 1 15 7  12 o 55.19000 0.8486000 -1.669000      1.697000  
1 1 1 15 7  14 o 29.80000 1.002000  2.138000       2.004000  
1 1 1 15 7  16 o 6.993000 1.987000  0.1742000      3.975000  
1 1 1 15 7  18 o 36.59000 0.9141000 1.141000       1.828000  
1 1 1 15 7  20 o 61.54000 1.153000  0.8815000      2.305000  
1 1 1 15 7  22 o 12.67000 1.421000  -3.255000      2.843000  
1 1 1 15 7  24 o 46.80000 1.283000  4.379000       2.565000  
1 1 1 15 7  26 o 69.62000 1.326000  1.104000       2.651000  
1 1 1 15 7  28 o 77.26000 1.159000  0.9640000      2.317000  
1 1 1 15 7  30 o 30.67000 0.9533000 -2.385000      1.907000  
1 1 1 15 7  32 o 20.28000 1.060000  1.713000       2.121000  
1 1 1 15 7  34 o 33.31000 0.9717000 -2.636000      1.943000  
1 1 1 15 7  36 o 71.16000 1.543000  -6.092000      3.085000  
1 1 1 15 7  38 o 78.74000 1.776000  2.204000       3.553000  
1 1 1 15 7  40 o 71.59000 1.388000  3.223000       2.775000  
1 1 1 15 7  42 o 17.10000 1.350000  6.879000       2.700000  
1 1 1 15 7  44 o 49.38000 1.502000  -4.598000      3.004000  
1 1 1 15 7  46 o 23.26000 2.650000  -1.968000      5.300000  
1 1 1 15 8  1  o 190.1000 2.427000  0.2376000      4.855000  
1 1 1 15 8  3  o 75.62000 1.009000  0.1330000      2.018000  
1 1 1 15 8  5  o 113.0000 1.515000  1.399000       3.030000  
1 1 1 15 8  7  o 22.47000 0.7412000 2.410000       1.482000  
1 1 1 15 8  9  o 38.91000 0.7412000 1.377000       1.482000  
1 1 1 15 8  11 o 94.09000 1.253000  -0.7268000     2.506000  
1 1 1 15 8  13 o 57.53000 1.029000  -0.8889000     2.058000  
1 1 1 15 8  15 o 93.74000 1.649000  4.227000       3.298000  
1 1 1 15 8  17 o 66.84000 1.099000  -1.074000      2.198000  
1 1 1 15 8  19 o 10.46000 1.411000  5.431000       2.822000  
1 1 1 15 8  21 o 32.95000 1.037000  -3.288000      2.075000  
1 1 1 15 8  23 o 51.71000 1.235000  4.618000       2.470000  
1 1 1 15 8  25 o 15.20000 2.430000  2.596000       4.861000  
1 1 1 15 8  27 o 55.06000 0.9777000 -1.805000      1.955000  
1 1 1 15 8  29 o 29.33000 1.008000  1.101000       2.017000  
1 1 1 15 8  31 o 44.66000 1.059000  -1.198000      2.119000  
1 1 1 15 8  33 o 15.76000 1.347000  -0.1305000     2.694000  
1 1 1 15 8  35 o 21.33000 1.218000  1.201000       2.435000  
1 1 1 15 8  37 o 54.02000 1.580000  0.6526000      3.160000  
1 1 1 15 8  39 o 23.91000 1.377000  1.536000       2.754000  
1 1 1 15 8  41 o 18.43000 1.798000  0.2677000      3.595000  
1 1 1 15 8  43 o 11.02000 2.741000  -0.6578000     5.482000  
1 1 1 15 8  45 o 9.505000 2.573000  1.549000       5.145000  
1 1 1 15 9  0  o 103.0000 1.896000  0.000000       0.000000  
1 1 1 15 9  2  o 99.11000 1.294000  0.1133000      2.588000  
1 1 1 15 9  4  o 35.27000 0.6527000 -0.1290000     1.305000  
1 1 1 15 9  6  f 74.03000 1.034000  -1.409000      2.068000  
1 1 1 15 9  8  o 12.25000 1.432000  4.074000       2.864000  
1 1 1 15 9  10 o 72.58000 1.016000  1.564000       2.031000  
1 1 1 15 9  12 o 85.03000 1.258000  1.584000       2.515000  
1 1 1 15 9  14 o 27.69000 0.8898000 -4.248000      1.780000  
1 1 1 15 9  16 o 40.27000 1.053000  0.1356000E-01  2.105000  
1 1 1 15 9  18 o 26.75000 0.9034000 1.903000       1.807000  
1 1 1 15 9  20 o 49.54000 0.9792000 1.041000       1.958000  
1 1 1 15 9  22 o 51.23000 0.8915000 -0.6068000     1.783000  
1 1 1 15 9  24 f 27.34000 1.936000  3.508000       3.872000  
1 1 1 15 9  26 o 67.56000 1.210000  -3.679000      2.421000  
1 1 1 15 9  28 o 16.12000 1.219000  -0.2656000E-01 2.438000  
1 1 1 15 9  30 o 21.54000 1.076000  1.480000       2.151000  
1 1 1 15 9  32 o 42.46000 1.041000  2.109000       2.082000  
1 1 1 15 9  34 o 42.84000 1.050000  -0.7941000     2.101000  
1 1 1 15 9  36 o 21.48000 1.774000  2.428000       3.548000  
1 1 1 15 9  38 o 9.880000 2.779000  1.708000       5.557000  
1 1 1 15 9  40 o 24.29000 1.689000  -4.304000      3.377000  
1 1 1 15 9  42 o 10.25000 2.876000  -5.165000      5.752000  
1 1 1 15 9  44 o 8.546000 2.490000  -2.768000      4.980000  
1 1 1 15 9  46 o 14.24000 3.956000  ?              ?         
1 1 1 15 10 1  o 118.6000 1.538000  -0.1000000E-01 3.075000  
1 1 1 15 10 3  o 69.76000 1.098000  4.715000       2.195000  
1 1 1 15 10 5  o 87.69000 1.165000  -1.795000      2.331000  
1 1 1 15 10 7  o 88.56000 1.230000  -0.1178000     2.460000  
1 1 1 15 10 9  o 27.44000 0.8695000 0.5421000      1.739000  
1 1 1 15 10 11 o 49.34000 0.8851000 1.301000       1.770000  
1 1 1 15 10 13 o 79.74000 1.395000  0.2593000      2.789000  
1 1 1 15 10 15 o 70.44000 1.178000  3.053000       2.355000  
1 1 1 15 10 17 o 101.3000 1.737000  -2.478000      3.475000  
1 1 1 15 10 19 o 67.59000 1.170000  1.834000       2.340000  
1 1 1 15 10 21 o 28.66000 1.083000  1.375000       2.167000  
1 1 1 15 10 23 o 58.00000 1.103000  -1.380000      2.206000  
1 1 1 15 10 25 o 42.22000 2.370000  -5.996000      4.741000  
1 1 1 15 10 27 o 14.63000 1.366000  0.6468000      2.731000  
1 1 1 15 10 29 o 12.23000 1.615000  2.063000       3.229000  
1 1 1 15 10 31 o 24.16000 1.071000  -0.3711000     2.142000  
1 1 1 15 10 33 o 9.902000 1.911000  0.9661000      3.821000  
1 1 1 15 10 35 o 27.04000 1.288000  -0.3281000     2.576000  
1 1 1 15 10 37 o 16.05000 3.372000  2.088000       6.743000  
1 1 1 15 10 39 o 24.61000 1.837000  4.388000       3.673000  
1 1 1 15 10 41 o 37.91000 1.385000  1.427000       2.771000  
1 1 1 15 10 43 o 29.99000 1.499000  -0.2484000E-01 2.997000  
1 1 1 15 10 45 o 35.62000 2.880000  5.847000       5.761000  
1 1 1 15 11 0  o 102.4000 1.906000  0.000000       0.000000  
1 1 1 15 11 2  o 114.1000 1.485000  -0.2421000     2.970000  
1 1 1 15 11 4  o 72.33000 1.036000  -2.141000      2.072000  
1 1 1 15 11 6  o 104.5000 1.702000  1.892000       3.404000  
1 1 1 15 11 8  o 103.0000 1.426000  2.532000       2.852000  
1 1 1 15 11 10 o 42.91000 1.079000  -1.050000      2.158000  
1 1 1 15 11 12 o 37.28000 0.9675000 1.973000       1.935000  
1 1 1 15 11 14 o 82.79000 1.220000  -0.6279000     2.441000  
1 1 1 15 11 16 o 72.93000 1.442000  2.505000       2.883000  
1 1 1 15 11 18 o 14.86000 1.403000  -3.239000      2.806000  
1 1 1 15 11 20 o 92.07000 1.431000  1.883000       2.861000  
1 1 1 15 11 22 o 86.72000 1.404000  4.847000       2.808000  
1 1 1 15 11 24 o 42.72000 1.016000  1.209000       2.032000  
1 1 1 15 11 26 o 49.13000 1.046000  0.3327000      2.092000  
1 1 1 15 11 28 o 42.36000 1.067000  -0.6789000     2.133000  
1 1 1 15 11 30 o 31.97000 1.065000  2.479000       2.131000  
1 1 1 15 11 32 o 7.031000 1.984000  -0.3590000     3.968000  
1 1 1 15 11 34 o 29.92000 1.131000  1.213000       2.262000  
1 1 1 15 11 36 o 71.08000 1.731000  1.171000       3.461000  
1 1 1 15 11 38 o 10.69000 2.697000  0.5586000      5.394000  
1 1 1 15 11 40 o 19.61000 2.226000  5.587000       4.452000  
1 1 1 15 11 42 f 21.40000 1.758000  1.392000       3.517000  
1 1 1 15 11 44 o 12.41000 2.824000  0.5110000      5.649000  
1 1 1 15 12 1  o 93.17000 1.246000  -3.392000      2.491000  
1 1 1 15 12 3  o 34.25000 0.8708000 0.5998000      1.742000  
1 1 1 15 12 5  o 64.40000 0.9972000 -1.125000      1.994000  
1 1 1 15 12 7  o 115.0000 1.586000  2.994000       3.172000  
1 1 1 15 12 9  o 62.61000 1.297000  -6.153000      2.594000  
1 1 1 15 12 11 o 29.07000 1.258000  -2.229000      2.516000  
1 1 1 15 12 13 o 21.29000 1.236000  -2.209000      2.472000  
1 1 1 15 12 15 o 95.86000 1.473000  -0.8294000     2.946000  
1 1 1 15 12 17 o 55.89000 1.380000  0.6431000      2.760000  
1 1 1 15 12 19 o 56.09000 0.9185000 -2.107000      1.837000  
1 1 1 15 12 21 o 15.81000 1.391000  -0.9305000     2.782000  
1 1 1 15 12 23 o 37.06000 2.605000  -0.7622000     5.210000  
1 1 1 15 12 25 o 8.507000 1.708000  -2.728000      3.417000  
1 1 1 15 12 27 o 34.81000 0.9488000 1.370000       1.898000  
1 1 1 15 12 29 o 21.00000 1.182000  2.946000       2.365000  
1 1 1 15 12 31 o 15.54000 1.509000  5.166000       3.018000  
1 1 1 15 12 33 f 32.70000 1.031000  -3.435000      2.063000  
1 1 1 15 12 35 o 15.69000 2.576000  3.718000       5.152000  
1 1 1 15 12 37 o 10.47000 2.694000  5.285000       5.387000  
1 1 1 15 12 39 o 20.75000 2.209000  1.186000       4.418000  
1 1 1 15 12 41 o 14.23000 2.301000  2.437000       4.601000  
1 1 1 15 12 43 o 24.41000 1.738000  3.123000       3.475000  
1 1 1 15 12 45 o 17.48000 3.753000  ?              ?         
1 1 1 15 13 0  f 17.91000 1.801000  0.000000       0.000000  
1 1 1 15 13 2  o 35.58000 0.9482000 -0.2536000     1.896000  
1 1 1 15 13 4  o 52.55000 0.9590000 -1.649000      1.918000  
1 1 1 15 13 6  o 75.56000 1.212000  -3.407000      2.424000  
1 1 1 15 13 8  o 124.7000 1.948000  2.047000       3.895000  
1 1 1 15 13 10 o 36.87000 1.124000  -3.973000      2.248000  
1 1 1 15 13 12 o 31.97000 1.042000  -3.481000      2.085000  
1 1 1 15 13 14 o 69.88000 1.176000  -2.030000      2.351000  
1 1 1 15 13 16 o 55.78000 1.456000  -1.329000      2.913000  
1 1 1 15 13 18 o 93.67000 1.432000  -2.079000      2.865000  
1 1 1 15 13 20 o 17.95000 1.280000  0.1709000      2.560000  
1 1 1 15 13 22 o 56.28000 1.265000  -2.460000      2.530000  
1 1 1 15 13 24 o 39.80000 0.8400000 -3.290000      1.680000  
1 1 1 15 13 26 o 72.77000 1.301000  -2.489000      2.602000  
1 1 1 15 13 28 o 53.57000 1.134000  4.487000       2.268000  
1 1 1 15 13 30 o 39.94000 1.011000  -1.088000      2.021000  
1 1 1 15 13 32 o 9.257000 2.118000  -0.6140000     4.236000  
1 1 1 15 13 34 o 42.51000 1.358000  0.8937000      2.715000  
1 1 1 15 13 36 o 35.95000 1.770000  8.319000       3.541000  
1 1 1 15 13 38 o 9.704000 2.725000  -2.660000      5.451000  
1 1 1 15 13 40 o 11.03000 2.398000  -0.2161000     4.797000  
1 1 1 15 13 42 o 10.04000 2.495000  -0.3228000     4.989000  
1 1 1 15 13 44 o 12.80000 2.563000  0.8890000E-01  5.127000  
1 1 1 15 14 1  o 54.69000 1.025000  -3.038000      2.050000  
1 1 1 15 14 3  o 40.87000 1.076000  0.7354000      2.151000  
1 1 1 15 14 5  o 75.16000 2.006000  6.628000       4.011000  
1 1 1 15 14 7  o 45.16000 1.303000  0.9909000      2.606000  
1 1 1 15 14 9  o 88.45000 1.524000  -0.6791000     3.049000  
1 1 1 15 14 11 o 53.49000 1.732000  -5.385000      3.464000  
1 1 1 15 14 13 o 42.65000 1.076000  2.053000       2.152000  
1 1 1 15 14 15 o 69.94000 1.149000  0.2993000      2.298000  
1 1 1 15 14 17 o 113.0000 2.938000  14.38000       5.876000  
1 1 1 15 14 19 o 104.9000 2.179000  -4.538000      4.357000  
1 1 1 15 14 21 o 28.27000 1.042000  1.043000       2.084000  
1 1 1 15 14 23 o 26.00000 0.8807000 3.829000       1.761000  
1 1 1 15 14 25 o 26.30000 0.8215000 1.187000       1.643000  
1 1 1 15 14 27 o 33.32000 0.8327000 2.964000       1.665000  
1 1 1 15 14 29 o 9.201000 1.849000  -1.739000      3.697000  
1 1 1 15 14 31 o 42.73000 1.038000  -1.117000      2.076000  
1 1 1 15 14 33 o 29.68000 1.221000  -0.1194000     2.443000  
1 1 1 15 14 35 o 26.28000 2.439000  0.9757000      4.879000  
1 1 1 15 14 37 o 7.743000 2.349000  0.7569000      4.698000  
1 1 1 15 14 39 o 22.14000 1.676000  2.276000       3.353000  
1 1 1 15 14 41 o 8.287000 2.372000  -1.896000      4.745000  
1 1 1 15 14 43 o 7.751000 2.420000  -0.3986000     4.840000  
1 1 1 15 15 0  o 31.20000 2.809000  0.000000       0.000000  
1 1 1 15 15 2  o 14.34000 2.902000  -3.534000      5.805000  
1 1 1 15 15 4  o 111.5000 2.154000  0.4137000      4.308000  
1 1 1 15 15 6  o 108.3000 1.876000  -2.103000      3.752000  
1 1 1 15 15 8  o 132.0000 2.233000  -1.112000      4.465000  
1 1 1 15 15 10 o 54.53000 1.268000  -1.028000      2.535000  
1 1 1 15 15 12 f 39.24000 1.026000  -1.851000      2.052000  
1 1 1 15 15 14 o 69.65000 1.347000  -5.370000      2.695000  
1 1 1 15 15 16 o 22.78000 1.145000  -2.434000      2.290000  
1 1 1 15 15 18 o 35.49000 3.508000  -3.003000      7.016000  
1 1 1 15 15 20 o 11.81000 3.624000  6.009000       7.248000  
1 1 1 15 15 22 o 21.01000 1.060000  1.780000       2.119000  
1 1 1 15 15 24 o 55.33000 1.137000  1.872000       2.274000  
1 1 1 15 15 26 o 51.04000 0.9107000 -1.699000      1.821000  
1 1 1 15 15 28 o 10.97000 2.033000  1.748000       4.067000  
1 1 1 15 15 30 o 66.60000 1.322000  0.5901000      2.643000  
1 1 1 15 15 32 f 19.00000 1.582000  3.525000       3.165000  
1 1 1 15 15 34 o 14.38000 2.572000  2.229000       5.144000  
1 1 1 15 15 36 o 20.79000 2.122000  5.378000       4.243000  
1 1 1 15 15 38 o 42.93000 1.182000  0.3805000      2.364000  
1 1 1 15 15 40 o 32.70000 1.276000  -3.839000      2.552000  
1 1 1 15 15 42 o 7.265000 2.279000  -1.109000      4.558000  
1 1 1 15 15 44 o 8.558000 3.677000  ?              ?         
1 1 1 15 16 1  o 45.40000 1.278000  0.4990000      2.555000  
1 1 1 15 16 3  o 175.7000 2.641000  0.9286000      5.282000  
1 1 1 15 16 5  o 106.5000 1.757000  4.105000       3.513000  
1 1 1 15 16 7  o 48.15000 1.173000  3.112000       2.345000  
1 1 1 15 16 9  o 9.966000 2.029000  3.299000       4.058000  
1 1 1 15 16 11 o 40.86000 1.135000  -4.720000      2.271000  
1 1 1 15 16 13 o 21.25000 1.278000  -4.672000      2.557000  
1 1 1 15 16 15 o 45.83000 1.152000  3.207000       2.304000  
1 1 1 15 16 17 o 75.77000 1.391000  1.345000       2.782000  
1 1 1 15 16 19 o 29.54000 3.892000  -6.521000      7.783000  
1 1 1 15 16 21 o 41.42000 2.142000  0.7150000      4.284000  
1 1 1 15 16 23 o 37.99000 0.9386000 -1.456000      1.877000  
1 1 1 15 16 25 f 65.39000 1.190000  -1.088000      2.379000  
1 1 1 15 16 27 f 30.83000 0.8835000 0.9866000      1.767000  
1 1 1 15 16 29 o 42.16000 1.980000  1.333000       3.961000  
1 1 1 15 16 31 o 19.64000 1.119000  -0.3608000     2.238000  
1 1 1 15 16 33 o 20.60000 1.976000  -10.29000      3.952000  
1 1 1 15 16 35 o 16.72000 2.632000  -3.396000      5.265000  
1 1 1 15 16 37 o 23.62000 1.473000  -0.7839000     2.947000  
1 1 1 15 16 39 o 22.48000 1.419000  0.8085000      2.839000  
1 1 1 15 16 41 o 17.36000 1.782000  1.345000       3.563000  
1 1 1 15 16 43 o 23.92000 1.894000  -7.975000      3.788000  
1 1 1 15 17 0  o 132.7000 2.848000  0.000000       0.000000  
1 1 1 15 17 2  o 122.7000 1.879000  -5.958000      3.757000  
1 1 1 15 17 4  o 68.90000 1.285000  1.699000       2.570000  
1 1 1 15 17 6  o 84.34000 1.725000  -2.905000      3.450000  
1 1 1 15 17 8  o 61.71000 1.291000  -2.517000      2.581000  
1 1 1 15 17 10 o 19.09000 1.268000  2.075000       2.536000  
1 1 1 15 17 12 o 83.32000 1.436000  -0.6425000     2.872000  
1 1 1 15 17 14 o 96.94000 1.453000  -1.845000      2.906000  
1 1 1 15 17 16 o 38.18000 1.022000  -2.080000      2.043000  
1 1 1 15 17 18 o 40.32000 1.123000  4.218000       2.246000  
1 1 1 15 17 20 o 39.95000 2.119000  2.026000       4.239000  
1 1 1 15 17 22 o 23.43000 1.028000  -1.743000      2.057000  
1 1 1 15 17 24 f 37.83000 0.9785000 -0.7777000     1.957000  
1 1 1 15 17 26 o 26.10000 0.8989000 2.379000       1.798000  
1 1 1 15 17 28 o 69.46000 1.206000  4.521000       2.412000  
1 1 1 15 17 30 o 35.52000 4.392000  -0.2458000     8.783000  
1 1 1 15 17 32 o 39.58000 4.260000  -14.02000      8.521000  
1 1 1 15 17 34 o 24.82000 4.237000  -10.42000      8.474000  
1 1 1 15 17 36 o 30.09000 3.206000  -5.737000      6.413000  
1 1 1 15 17 38 o 17.25000 3.421000  15.75000       6.841000  
1 1 1 15 17 40 o 23.91000 3.270000  -6.919000      6.540000  
1 1 1 15 17 42 o 12.95000 3.588000  -1.629000      7.175000  
1 1 1 15 18 1  o 115.7000 1.780000  0.7981000E-01  3.559000  
1 1 1 15 18 3  o 64.51000 1.221000  -0.7863000     2.442000  
1 1 1 15 18 5  o 61.86000 1.114000  -0.3677000     2.228000  
1 1 1 15 18 7  o 103.3000 1.606000  -0.1005000     3.212000  
1 1 1 15 18 9  o 54.71000 0.9993000 -2.324000      1.999000  
1 1 1 15 18 11 o 36.67000 1.119000  -1.598000      2.238000  
1 1 1 15 18 13 o 86.81000 1.296000  2.878000       2.592000  
1 1 1 15 18 15 o 59.19000 1.067000  1.322000       2.134000  
1 1 1 15 18 17 o 23.94000 1.602000  -0.2952000     3.203000  
1 1 1 15 18 19 o 32.47000 1.049000  -0.8812000     2.098000  
1 1 1 15 18 21 o 24.47000 3.004000  -3.056000      6.009000  
1 1 1 15 18 23 o 56.83000 1.125000  1.253000       2.250000  
1 1 1 15 18 25 o 20.38000 1.060000  -2.384000      2.120000  
1 1 1 15 18 27 o 54.62000 1.043000  -1.244000      2.085000  
1 1 1 15 18 29 o 47.92000 1.068000  1.395000       2.137000  
1 1 1 15 18 31 o 32.99000 3.957000  -9.752000      7.914000  
1 1 1 15 18 33 o 19.25000 3.137000  -1.973000      6.274000  
1 1 1 15 18 35 o 27.19000 3.622000  -4.865000      7.245000  
1 1 1 15 18 37 o 54.06000 1.935000  -8.001000      3.869000  
1 1 1 15 18 39 o 50.34000 1.848000  -0.2414000     3.696000  
1 1 1 15 18 41 o 35.33000 3.285000  -8.496000      6.570000  
1 1 1 15 19 0  o 40.63000 1.237000  0.000000       0.000000  
1 1 1 15 19 2  f 11.55000 2.295000  0.5101000E-01  4.590000  
1 1 1 15 19 4  o 40.03000 0.9493000 -1.954000      1.899000  
1 1 1 15 19 6  o 31.24000 0.9981000 -3.392000      1.996000  
1 1 1 15 19 8  f 22.99000 1.381000  -3.078000      2.762000  
1 1 1 15 19 10 f 36.25000 1.078000  -2.545000      2.156000  
1 1 1 15 19 12 o 32.09000 1.146000  -1.207000      2.293000  
1 1 1 15 19 14 o 75.72000 1.355000  -0.4382000     2.709000  
1 1 1 15 19 16 o 93.68000 1.383000  -1.877000      2.767000  
1 1 1 15 19 18 o 41.66000 1.047000  -2.813000      2.095000  
1 1 1 15 19 20 o 8.036000 2.110000  0.5994000      4.219000  
1 1 1 15 19 22 o 30.73000 4.240000  8.572000       8.481000  
1 1 1 15 19 24 o 18.67000 1.364000  -4.389000      2.728000  
1 1 1 15 19 26 o 21.13000 1.073000  -0.4959000     2.146000  
1 1 1 15 19 28 o 34.83000 0.9464000 -1.471000      1.893000  
1 1 1 15 19 30 o 13.20000 1.592000  -2.955000      3.184000  
1 1 1 15 19 32 o 31.70000 1.485000  ?              ?         
1 1 1 15 19 34 f 15.83000 3.494000  -1.897000      6.988000  
1 1 1 15 19 36 o 9.541000 3.167000  6.988000       6.334000  
1 1 1 15 19 38 o 21.89000 3.330000  -2.008000      6.660000  
1 1 1 15 19 40 o 11.13000 2.746000  -0.7327000     5.492000  
1 1 1 15 20 1  o 46.25000 1.014000  -0.9903000     2.029000  
1 1 1 15 20 3  o 72.61000 1.157000  -3.347000      2.314000  
1 1 1 15 20 5  o 55.95000 1.435000  -2.664000      2.871000  
1 1 1 15 20 7  o 63.84000 1.035000  -0.3969000     2.070000  
1 1 1 15 20 9  o 58.53000 1.248000  -1.364000      2.497000  
1 1 1 15 20 11 o 58.48000 1.085000  -0.7773000     2.169000  
1 1 1 15 20 13 o 94.76000 1.398000  3.659000       2.797000  
1 1 1 15 20 15 o 49.50000 1.081000  6.691000       2.162000  
1 1 1 15 20 17 o 31.82000 1.129000  -0.8219000     2.259000  
1 1 1 15 20 19 o 34.43000 1.043000  -0.9278000     2.085000  
1 1 1 15 20 21 f 44.48000 1.083000  0.6725000E-01  2.166000  
1 1 1 15 20 23 o 57.64000 1.747000  1.383000       3.494000  
1 1 1 15 20 25 o 34.01000 0.9890000 2.175000       1.978000  
1 1 1 15 20 27 o 33.35000 0.9946000 1.248000       1.989000  
1 1 1 15 20 29 o 7.608000 2.001000  -1.784000      4.003000  
1 1 1 15 20 31 o 24.56000 1.319000  -1.683000      2.638000  
1 1 1 15 20 33 o 17.05000 2.698000  -6.762000      5.395000  
1 1 1 15 20 35 o 28.23000 3.346000  -0.2717000     6.692000  
1 1 1 15 20 37 o 14.60000 3.367000  1.898000       6.735000  
1 1 1 15 20 39 o 8.289000 2.529000  0.9981000      5.057000  
1 1 1 15 20 41 o 32.23000 2.140000  2.155000       4.281000  
1 1 1 15 21 0  o 36.55000 1.612000  0.000000       0.000000  
1 1 1 15 21 2  o 26.88000 1.444000  -0.5930000     2.889000  
1 1 1 15 21 4  o 79.95000 1.163000  1.875000       2.326000  
1 1 1 15 21 6  o 53.60000 0.9945000 3.545000       1.989000  
1 1 1 15 21 8  o 74.96000 1.218000  0.9580000      2.437000  
1 1 1 15 21 10 o 28.07000 1.398000  2.293000       2.797000  
1 1 1 15 21 12 o 20.70000 1.902000  -5.457000      3.804000  
1 1 1 15 21 14 o 48.47000 1.086000  -1.416000      2.171000  
1 1 1 15 21 16 o 22.79000 1.451000  2.873000       2.901000  
1 1 1 15 21 18 o 37.42000 1.046000  -0.6218000     2.092000  
1 1 1 15 21 20 o 33.13000 1.166000  -0.6627000     2.332000  
1 1 1 15 21 22 o 18.16000 1.554000  -0.8621000     3.109000  
1 1 1 15 21 24 o 63.90000 1.805000  0.2291000E-01  3.610000  
1 1 1 15 21 26 o 43.40000 1.098000  -2.249000      2.196000  
1 1 1 15 21 28 o 55.78000 1.190000  0.5504000      2.381000  
1 1 1 15 21 30 o 23.72000 1.557000  -1.136000      3.114000  
1 1 1 15 21 32 o 39.78000 1.154000  -1.381000      2.307000  
1 1 1 15 21 34 o 14.69000 3.930000  6.326000       7.860000  
1 1 1 15 21 36 o 24.96000 3.354000  -5.270000      6.709000  
1 1 1 15 21 38 o 15.54000 3.128000  -2.329000      6.257000  
1 1 1 15 21 40 o 9.427000 2.581000  -2.610000      5.163000  
1 1 1 15 22 1  o 20.41000 3.205000  -2.749000      6.410000  
1 1 1 15 22 3  o 18.42000 2.012000  3.205000       4.023000  
1 1 1 15 22 5  o 55.37000 1.019000  2.603000       2.039000  
1 1 1 15 22 7  o 52.20000 1.018000  1.778000       2.035000  
1 1 1 15 22 9  o 81.60000 1.215000  0.4881000      2.430000  
1 1 1 15 22 11 o 16.61000 2.060000  0.3228000      4.120000  
1 1 1 15 22 13 o 85.12000 1.322000  5.069000       2.644000  
1 1 1 15 22 15 o 50.55000 1.271000  -2.262000      2.541000  
1 1 1 15 22 17 o 10.58000 2.351000  2.640000       4.702000  
1 1 1 15 22 19 o 38.81000 1.066000  2.377000       2.132000  
1 1 1 15 22 21 o 33.37000 1.110000  3.264000       2.219000  
1 1 1 15 22 23 o 19.01000 1.455000  0.5607000      2.911000  
1 1 1 15 22 25 o 39.45000 4.509000  4.123000       9.018000  
1 1 1 15 22 27 o 24.96000 1.203000  -3.181000      2.406000  
1 1 1 15 22 29 o 27.14000 1.359000  -2.215000      2.718000  
1 1 1 15 22 31 o 48.84000 1.244000  -2.353000      2.488000  
1 1 1 15 22 33 o 7.395000 2.023000  -1.249000      4.046000  
1 1 1 15 22 35 o 23.28000 4.353000  -0.1245000     8.706000  
1 1 1 15 22 37 o 20.01000 3.220000  -5.839000      6.440000  
1 1 1 15 22 39 o 17.06000 3.023000  -4.885000      6.047000  
1 1 1 15 23 0  o 55.62000 2.071000  0.000000       0.000000  
1 1 1 15 23 2  o 32.69000 1.305000  -0.4434000     2.609000  
1 1 1 15 23 4  f 68.42000 1.190000  2.080000       2.379000  
1 1 1 15 23 6  o 31.52000 1.320000  -0.4596000     2.639000  
1 1 1 15 23 8  o 26.63000 1.441000  0.7454000      2.882000  
1 1 1 15 23 10 o 26.07000 1.409000  0.3786000      2.819000  
1 1 1 15 23 12 o 57.51000 1.158000  -0.3629000     2.316000  
1 1 1 15 23 14 o 20.77000 2.053000  -7.172000      4.106000  
1 1 1 15 23 16 o 62.38000 1.207000  2.349000       2.413000  
1 1 1 15 23 18 o 70.33000 1.245000  2.188000       2.491000  
1 1 1 15 23 20 o 58.20000 1.186000  1.569000       2.372000  
1 1 1 15 23 22 o 11.95000 2.189000  2.695000       4.378000  
1 1 1 15 23 24 o 19.89000 1.528000  -1.622000      3.056000  
1 1 1 15 23 26 o 34.65000 3.131000  -8.144000      6.262000  
1 1 1 15 23 28 o 43.97000 1.308000  -0.5911000     2.616000  
1 1 1 15 23 30 o 15.39000 2.077000  0.5344000      4.153000  
1 1 1 15 23 32 o 26.64000 1.090000  -1.823000      2.180000  
1 1 1 15 23 34 o 31.87000 1.231000  2.145000       2.462000  
1 1 1 15 23 36 o 16.66000 3.722000  0.8856000      7.444000  
1 1 1 15 23 38 o 13.15000 3.156000  4.132000       6.312000  
1 1 1 15 23 40 o 10.64000 3.351000  1.598000       6.702000  
1 1 1 15 24 1  o 79.23000 1.214000  -5.954000      2.428000  
1 1 1 15 24 3  o 38.53000 1.269000  -0.6935000     2.539000  
1 1 1 15 24 5  o 20.15000 2.065000  -0.2289000     4.131000  
1 1 1 15 24 7  o 36.04000 1.239000  2.531000       2.478000  
1 1 1 15 24 9  o 52.29000 1.079000  0.9630000      2.157000  
1 1 1 15 24 11 o 50.13000 1.092000  2.093000       2.184000  
1 1 1 15 24 13 o 71.78000 1.238000  -1.384000      2.477000  
1 1 1 15 24 15 o 34.78000 1.325000  -2.619000      2.649000  
1 1 1 15 24 17 o 52.46000 1.188000  -0.1235000     2.376000  
1 1 1 15 24 19 o 51.22000 1.148000  -2.208000      2.296000  
1 1 1 15 24 21 o 33.89000 1.320000  1.178000       2.639000  
1 1 1 15 24 23 o 17.29000 1.785000  0.3936000      3.570000  
1 1 1 15 24 25 o 24.13000 1.450000  0.8374000      2.900000  
1 1 1 15 24 29 o 5.260000 1.809000  -1.121000      3.617000  
1 1 1 15 24 31 o 23.47000 1.350000  0.4297000      2.700000  
1 1 1 15 24 33 o 29.55000 1.091000  -1.768000      2.182000  
1 1 1 15 24 35 o 16.50000 4.318000  7.232000       8.637000  
1 1 1 15 24 37 o 11.58000 4.231000  10.74000       8.462000  
1 1 1 15 24 39 o 10.32000 3.363000  2.642000       6.727000  
1 1 1 15 25 0  o 103.8000 2.049000  0.000000       0.000000  
1 1 1 15 25 2  o 83.77000 1.254000  -1.232000      2.509000  
1 1 1 15 25 4  f 21.48000 2.047000  1.597000       4.094000  
1 1 1 15 25 6  o 28.84000 1.535000  -0.3032000     3.069000  
1 1 1 15 25 8  o 21.19000 2.008000  -0.6251000     4.017000  
1 1 1 15 25 10 o 19.86000 2.008000  -1.318000      4.016000  
1 1 1 15 25 12 o 27.29000 1.454000  0.8084000      2.908000  
1 1 1 15 25 14 o 20.63000 2.010000  2.712000       4.020000  
1 1 1 15 25 16 o 25.60000 1.605000  -1.086000      3.209000  
1 1 1 15 25 18 o 44.83000 1.256000  0.9178000      2.512000  
1 1 1 15 25 20 o 81.37000 1.567000  -1.742000      3.134000  
1 1 1 15 25 22 o 14.39000 2.351000  2.295000       4.701000  
1 1 1 15 25 24 o 8.645000 2.432000  0.8062000      4.864000  
1 1 1 15 25 26 o 8.146000 4.077000  ?              ?         
1 1 1 15 25 28 o 12.52000 3.345000  -3.188000      6.691000  
1 1 1 15 25 30 o 42.29000 1.250000  0.2285000      2.499000  
1 1 1 15 25 32 o 19.45000 3.649000  -5.394000      7.299000  
1 1 1 15 25 34 o 36.58000 1.140000  -0.6261000     2.280000  
1 1 1 15 25 36 o 13.32000 2.413000  -9.155000      4.827000  
1 1 1 15 25 38 o 33.42000 1.770000  -2.567000      3.540000  
1 1 1 15 26 1  o 20.75000 2.005000  -0.6745000     4.009000  
1 1 1 15 26 3  o 18.63000 2.275000  -1.930000      4.549000  
1 1 1 15 26 5  o 29.88000 1.673000  1.594000       3.347000  
1 1 1 15 26 7  o 40.18000 1.242000  0.2076000      2.485000  
1 1 1 15 26 9  o 19.78000 2.153000  -3.511000      4.306000  
1 1 1 15 26 11 o 42.68000 1.248000  -0.5985000     2.497000  
1 1 1 15 26 13 f 10.25000 3.046000  0.1700000      6.093000  
1 1 1 15 26 15 o 37.79000 1.343000  1.824000       2.686000  
1 1 1 15 26 17 o 49.71000 1.208000  -2.149000      2.417000  
1 1 1 15 26 19 o 23.58000 1.868000  -3.344000      3.736000  
1 1 1 15 26 21 o 29.96000 1.458000  -3.125000      2.916000  
1 1 1 15 26 23 o 33.60000 1.469000  -3.128000      2.937000  
1 1 1 15 26 25 o 18.23000 2.835000  3.151000       5.671000  
1 1 1 15 26 27 o 6.306000 2.206000  -0.7386000E-01 4.411000  
1 1 1 15 26 29 o 47.88000 5.984000  -16.90000      11.97000  
1 1 1 15 26 31 o 37.85000 1.299000  -3.715000      2.599000  
1 1 1 15 26 33 o 23.04000 1.320000  -2.118000      2.639000  
1 1 1 15 26 35 o 7.174000 2.082000  0.4888000      4.165000  
1 1 1 15 26 37 o 40.50000 2.166000  -5.915000      4.332000  
1 1 1 15 27 0  f 65.28000 1.727000  0.000000       0.000000  
1 1 1 15 27 2  o 38.50000 1.466000  1.832000       2.931000  
1 1 1 15 27 4  o 8.724000 2.691000  -0.9066000     5.383000  
1 1 1 15 27 6  o 46.69000 1.589000  0.8804000      3.178000  
1 1 1 15 27 8  o 63.52000 1.405000  2.753000       2.811000  
1 1 1 15 27 10 o 41.03000 1.368000  -0.7508000     2.736000  
1 1 1 15 27 12 o 12.98000 2.903000  0.4218000      5.806000  
1 1 1 15 27 14 o 42.08000 1.299000  0.8078000      2.597000  
1 1 1 15 27 16 o 11.09000 2.842000  5.667000       5.683000  
1 1 1 15 27 18 o 37.54000 1.370000  -1.607000      2.741000  
1 1 1 15 27 20 o 22.81000 2.051000  -3.766000      4.101000  
1 1 1 15 27 22 o 25.04000 2.032000  0.9888000      4.065000  
1 1 1 15 27 24 o 29.76000 2.410000  7.102000       4.821000  
1 1 1 15 27 26 o 24.71000 2.484000  -5.171000      4.969000  
1 1 1 15 27 28 o 13.98000 2.657000  -3.225000      5.314000  
1 1 1 15 27 30 o 17.74000 3.707000  -2.490000      7.414000  
1 1 1 15 27 32 o 10.10000 2.520000  0.7982000      5.039000  
1 1 1 15 27 34 f 40.75000 1.260000  -1.633000      2.519000  
1 1 1 15 27 36 o 18.00000 1.864000  -0.5147000     3.727000  
1 1 1 15 28 1  o 40.35000 1.411000  -3.260000      2.823000  
1 1 1 15 28 3  o 27.99000 1.808000  2.431000       3.616000  
1 1 1 15 28 5  o 78.95000 1.345000  3.277000       2.689000  
1 1 1 15 28 7  o 37.75000 1.449000  -3.880000      2.898000  
1 1 1 15 28 9  o 29.18000 1.971000  1.047000       3.943000  
1 1 1 15 28 11 o 21.68000 2.323000  -0.5879000E-01 4.647000  
1 1 1 15 28 13 o 51.27000 1.312000  1.344000       2.624000  
1 1 1 15 28 15 o 32.30000 1.485000  -0.7738000E-01 2.971000  
1 1 1 15 28 17 o 46.49000 1.615000  0.7012000      3.231000  
1 1 1 15 28 19 o 25.77000 2.124000  -0.1114000     4.248000  
1 1 1 15 28 21 o 36.12000 1.884000  -3.401000      3.769000  
1 1 1 15 28 23 o 63.32000 2.080000  6.887000       4.160000  
1 1 1 15 28 25 o 17.90000 3.213000  11.46000       6.426000  
1 1 1 15 28 27 o 21.86000 2.399000  -3.070000      4.797000  
1 1 1 15 28 29 o 15.33000 2.465000  -4.601000      4.930000  
1 1 1 15 28 31 o 16.65000 4.240000  7.494000       8.479000  
1 1 1 15 28 33 o 6.831000 2.113000  3.233000       4.226000  
1 1 1 15 28 35 o 19.34000 1.711000  -5.475000      3.422000  
1 1 1 15 29 0  o 18.97000 4.018000  0.000000       0.000000  
1 1 1 15 29 2  o 48.09000 1.320000  2.141000       2.641000  
1 1 1 15 29 4  o 64.60000 1.303000  -0.9797000E-01 2.606000  
1 1 1 15 29 6  o 11.89000 3.081000  -1.842000      6.161000  
1 1 1 15 29 8  f 45.21000 1.413000  -0.7353000     2.827000  
1 1 1 15 29 10 o 19.92000 2.903000  1.401000       5.806000  
1 1 1 15 29 12 o 25.98000 2.512000  0.4092000      5.024000  
1 1 1 15 29 14 o 10.47000 3.095000  -2.673000      6.189000  
1 1 1 15 29 16 o 35.11000 2.108000  -2.036000      4.216000  
1 1 1 15 29 18 o 25.49000 2.356000  -1.328000      4.712000  
1 1 1 15 29 20 o 9.090000 2.936000  3.429000       5.873000  
1 1 1 15 29 22 o 24.61000 2.671000  -10.45000      5.343000  
1 1 1 15 29 24 o 8.293000 2.505000  -2.731000      5.010000  
1 1 1 15 29 26 o 26.10000 1.873000  3.180000       3.746000  
1 1 1 15 29 28 o 23.58000 1.861000  4.867000       3.722000  
1 1 1 15 29 30 o 17.32000 2.518000  -9.216000      5.037000  
1 1 1 15 29 32 o 9.954000 2.522000  -1.643000      5.044000  
1 1 1 15 29 34 o 23.93000 1.819000  2.292000       3.638000  
1 1 1 15 30 1  o 10.64000 3.169000  -1.637000      6.338000  
1 1 1 15 30 3  o 21.67000 2.561000  3.493000       5.121000  
1 1 1 15 30 5  o 29.97000 1.955000  4.748000       3.910000  
1 1 1 15 30 7  o 60.06000 1.538000  0.2004000      3.076000  
1 1 1 15 30 9  o 17.79000 3.334000  0.8211000E-01  6.669000  
1 1 1 15 30 11 o 16.38000 4.046000  -2.751000      8.091000  
1 1 1 15 30 13 o 22.02000 2.716000  0.6308000E-01  5.432000  
1 1 1 15 30 15 o 49.07000 1.716000  1.222000       3.432000  
1 1 1 15 30 17 o 13.90000 3.057000  4.703000       6.114000  
1 1 1 15 30 19 o 11.23000 5.615000  ?              ?         
1 1 1 15 30 23 o 56.67000 1.687000  -4.857000      3.373000  
1 1 1 15 30 25 o 45.09000 1.638000  -2.511000      3.276000  
1 1 1 15 30 27 o 32.02000 1.627000  -0.2010000     3.255000  
1 1 1 15 30 29 o 15.13000 4.459000  14.87000       8.917000  
1 1 1 15 30 31 o 14.95000 2.258000  -3.716000      4.516000  
1 1 1 15 30 33 o 18.89000 2.465000  -8.286000      4.930000  
1 1 1 15 31 0  o 38.29000 2.118000  0.000000       0.000000  
1 1 1 15 31 2  o 30.79000 2.209000  -4.324000      4.418000  
1 1 1 15 31 4  o 24.44000 3.856000  3.994000       7.713000  
1 1 1 15 31 6  o 18.62000 3.373000  -2.100000      6.746000  
1 1 1 15 31 8  o 27.35000 2.445000  1.609000       4.889000  
1 1 1 15 31 10 o 24.49000 2.430000  -6.887000      4.860000  
1 1 1 15 31 12 o 46.23000 1.656000  -0.9699000     3.312000  
1 1 1 15 31 14 o 38.87000 3.123000  -15.48000      6.246000  
1 1 1 15 31 16 o 20.28000 4.006000  1.014000       8.013000  
1 1 1 15 31 18 o 54.65000 1.750000  1.107000       3.500000  
1 1 1 15 31 22 o 28.15000 2.347000  1.768000       4.693000  
1 1 1 15 31 24 o 23.63000 2.625000  -2.405000      5.250000  
1 1 1 15 31 26 o 19.90000 2.547000  -1.060000      5.095000  
1 1 1 15 31 28 o 8.517000 2.667000  2.832000       5.333000  
1 1 1 15 31 30 o 15.08000 2.420000  -4.690000      4.840000  
1 1 1 15 31 32 o 25.52000 2.188000  4.378000       4.377000  
1 1 1 15 32 1  o 40.44000 2.108000  6.986000       4.215000  
1 1 1 15 32 3  o 36.21000 2.183000  4.270000       4.366000  
1 1 1 15 32 5  o 39.43000 2.450000  1.782000       4.900000  
1 1 1 15 32 7  o 47.14000 2.266000  -3.370000      4.533000  
1 1 1 15 32 9  o 15.87000 3.218000  3.444000       6.435000  
1 1 1 15 32 11 o 10.77000 3.265000  -2.233000      6.529000  
1 1 1 15 32 13 o 7.007000 2.462000  -1.148000      4.924000  
1 1 1 15 32 15 o 7.999000 4.002000  ?              ?         
1 1 1 15 32 17 o 9.433000 3.054000  -2.937000      6.108000  
1 1 1 15 32 19 o 17.33000 2.802000  -8.765000      5.605000  
1 1 1 15 32 21 o 30.52000 2.395000  -1.731000      4.791000  
1 1 1 15 32 23 o 12.73000 3.153000  2.156000       6.306000  
1 1 1 15 32 25 o 9.375000 2.838000  4.955000       5.676000  
1 1 1 15 32 27 o 14.69000 3.139000  6.071000       6.278000  
1 1 1 15 32 29 o 12.17000 2.376000  -3.591000      4.751000  
1 1 1 15 32 31 o 27.10000 1.707000  -1.206000      3.414000  
1 1 1 15 33 0  o 20.31000 4.828000  0.000000       0.000000  
1 1 1 15 33 2  o 26.57000 2.696000  -0.4678000     5.392000  
1 1 1 15 33 4  o 29.56000 2.288000  -3.879000      4.576000  
1 1 1 15 33 6  o 40.29000 1.806000  -6.472000      3.612000  
1 1 1 15 33 8  o 14.37000 3.860000  -4.294000      7.721000  
1 1 1 15 33 10 o 11.80000 3.800000  1.434000       7.600000  
1 1 1 15 33 14 o 50.20000 1.920000  7.907000       3.841000  
1 1 1 15 33 16 o 11.45000 4.701000  ?              ?         
1 1 1 15 33 18 o 19.21000 5.340000  1.945000       10.68000  
1 1 1 15 33 20 o 15.01000 4.208000  -0.4125000     8.416000  
1 1 1 15 33 22 o 39.36000 2.386000  3.549000       4.771000  
1 1 1 15 33 24 o 38.23000 2.477000  5.774000       4.953000  
1 1 1 15 33 26 o 15.15000 3.835000  2.066000       7.669000  
1 1 1 15 33 28 o 6.716000 2.285000  1.683000       4.569000  
1 1 1 15 33 30 o 36.30000 1.682000  -2.332000      3.364000  
1 1 1 15 34 1  o 8.345000 2.843000  0.6212000E-01  5.686000  
1 1 1 15 34 3  o 34.18000 2.495000  2.389000       4.991000  
1 1 1 15 34 5  o 58.05000 2.018000  3.462000       4.037000  
1 1 1 15 34 7  o 11.69000 3.710000  4.408000       7.420000  
1 1 1 15 34 9  f 40.43000 4.399000  -0.3689000     8.798000  
1 1 1 15 34 11 o 32.69000 4.038000  17.69000       8.077000  
1 1 1 15 34 15 o 11.10000 2.810000  4.456000       5.620000  
1 1 1 15 34 17 o 38.26000 2.184000  0.6321000      4.369000  
1 1 1 15 34 19 o 22.78000 3.476000  -4.729000      6.952000  
1 1 1 15 34 21 o 15.06000 3.106000  3.717000       6.212000  
1 1 1 15 34 23 o 18.25000 3.092000  2.923000       6.185000  
1 1 1 15 34 25 o 10.29000 3.136000  4.693000       6.272000  
1 1 1 15 34 27 o 7.781000 2.552000  3.213000       5.103000  
1 1 1 15 34 29 o 16.16000 2.688000  0.3376000      5.376000  
1 1 1 15 35 0  o 9.184000 4.475000  0.000000       0.000000  
1 1 1 15 35 2  o 44.61000 3.012000  -6.747000      6.023000  
1 1 1 15 35 4  o 55.74000 1.469000  2.355000       2.938000  
1 1 1 15 35 6  o 51.90000 1.918000  7.797000       3.835000  
1 1 1 15 35 8  o 15.27000 4.041000  -5.466000      8.082000  
1 1 1 15 35 10 o 5.674000 2.008000  0.6545000      4.015000  
1 1 1 15 35 12 o 23.64000 2.554000  2.869000       5.108000  
1 1 1 15 35 14 o 22.68000 3.826000  1.010000       7.651000  
1 1 1 15 35 16 o 45.64000 2.217000  -9.811000      4.434000  
1 1 1 15 35 18 o 37.80000 2.157000  1.541000       4.314000  
1 1 1 15 35 20 o 13.85000 3.581000  3.569000       7.163000  
1 1 1 15 35 22 o 13.27000 3.315000  3.217000       6.630000  
1 1 1 15 35 24 o 9.847000 2.849000  1.244000       5.698000  
1 1 1 15 35 26 o 8.042000 2.677000  1.887000       5.354000  
1 1 1 15 35 28 o 9.845000 2.776000  -3.220000      5.551000  
1 1 1 15 36 1  o 7.076000 2.457000  -0.3838000     4.913000  
1 1 1 15 36 3  o 6.028000 2.136000  0.5467000E-01  4.272000  
1 1 1 15 36 5  o 26.46000 2.366000  -7.941000      4.731000  
1 1 1 15 36 7  o 14.88000 2.992000  5.136000       5.983000  
1 1 1 15 36 9  o 34.84000 2.709000  -1.264000      5.417000  
1 1 1 15 36 11 o 24.55000 3.541000  4.495000       7.083000  
1 1 1 15 36 13 o 26.05000 3.210000  -1.215000      6.420000  
1 1 1 15 36 15 o 22.49000 3.288000  0.7234000      6.576000  
1 1 1 15 36 17 o 21.11000 3.439000  -10.86000      6.878000  
1 1 1 15 36 19 o 11.35000 3.284000  1.583000       6.567000  
1 1 1 15 36 21 o 14.75000 3.594000  -1.302000      7.187000  
1 1 1 15 36 23 o 7.666000 2.553000  2.671000       5.106000  
1 1 1 15 36 25 o 7.550000 2.478000  0.8251000      4.955000  
1 1 1 15 36 27 o 9.610000 3.910000  ?              ?         
1 1 1 15 37 0  o 25.71000 5.549000  0.000000       0.000000  
1 1 1 15 37 2  o 32.46000 3.124000  0.4909000      6.248000  
1 1 1 15 37 4  o 35.67000 2.552000  -1.719000      5.103000  
1 1 1 15 37 6  o 13.20000 3.814000  -2.331000      7.627000  
1 1 1 15 37 8  o 11.96000 3.611000  0.1837000      7.223000  
1 1 1 15 37 10 o 13.75000 3.820000  0.4494000      7.641000  
1 1 1 15 37 12 o 11.24000 3.378000  -1.320000      6.756000  
1 1 1 15 37 14 o 19.85000 3.580000  -2.050000      7.161000  
1 1 1 15 37 16 o 13.90000 3.562000  1.090000       7.123000  
1 1 1 15 37 18 o 24.00000 3.102000  3.946000       6.204000  
1 1 1 15 37 20 o 19.84000 2.824000  1.090000       5.647000  
1 1 1 15 37 22 o 10.13000 2.688000  6.041000       5.376000  
1 1 1 15 37 24 o 35.78000 1.772000  -3.292000      3.544000  
1 1 1 15 38 1  o 24.78000 4.057000  -2.337000      8.114000  
1 1 1 15 38 3  o 33.62000 2.992000  0.1834000      5.983000  
1 1 1 15 38 5  o 28.41000 3.336000  1.483000       6.671000  
1 1 1 15 38 7  o 34.57000 2.832000  -3.365000      5.665000  
1 1 1 15 38 9  o 26.02000 3.089000  0.9221000      6.178000  
1 1 1 15 38 11 o 14.36000 3.601000  2.495000       7.202000  
1 1 1 15 38 13 o 11.51000 3.424000  -2.423000      6.847000  
1 1 1 15 38 15 o 13.50000 3.532000  -0.2969000     7.064000  
1 1 1 15 38 17 o 22.87000 3.126000  3.329000       6.251000  
1 1 1 15 38 19 f 9.991000 2.712000  5.260000       5.425000  
1 1 1 15 38 21 o 8.148000 3.707000  ?              ?         
1 1 1 15 38 23 o 7.791000 2.538000  0.3345000      5.075000  
1 1 1 15 39 0  o 30.11000 3.648000  0.000000       0.000000  
1 1 1 15 39 2  o 36.37000 2.565000  -5.055000      5.131000  
1 1 1 15 39 4  o 23.64000 3.876000  -7.158000      7.751000  
1 1 1 15 39 6  o 21.11000 4.992000  -1.908000      9.983000  
1 1 1 15 39 8  o 23.53000 3.201000  2.297000       6.402000  
1 1 1 15 39 10 o 27.80000 2.655000  2.033000       5.309000  
1 1 1 15 39 12 o 23.70000 3.037000  0.3017000      6.074000  
1 1 1 15 39 14 o 13.51000 3.556000  -3.902000      7.112000  
1 1 1 15 39 16 o 9.753000 2.883000  -0.4264000E-01 5.765000  
1 1 1 15 39 18 o 7.891000 2.525000  2.197000       5.049000  
1 1 1 15 39 20 o 41.05000 1.648000  0.5088000      3.296000  
1 1 1 15 40 1  o 14.96000 3.785000  3.140000       7.570000  
1 1 1 15 40 3  o 13.82000 3.819000  -1.261000      7.638000  
1 1 1 15 40 5  o 27.54000 3.820000  -5.557000      7.641000  
1 1 1 15 40 7  o 18.61000 3.754000  -4.726000      7.508000  
1 1 1 15 40 9  o 17.60000 3.928000  1.846000       7.855000  
1 1 1 15 40 11 o 25.31000 2.863000  4.680000       5.725000  
1 1 1 15 40 13 o 7.966000 2.642000  -0.9460000     5.284000  
1 1 1 15 40 15 o 8.332000 2.631000  2.715000       5.262000  
1 1 1 15 40 17 o 23.53000 1.953000  -4.734000      3.907000  
1 1 1 15 40 19 o 9.127000 2.754000  3.515000       5.509000  
1 1 1 15 41 0  o 26.99000 4.228000  0.000000       0.000000  
1 1 1 15 41 2  o 14.26000 3.929000  -0.1363000     7.858000  
1 1 1 15 41 4  o 15.11000 3.897000  -1.516000      7.793000  
1 1 1 15 41 6  o 8.994000 2.822000  0.3317000      5.644000  
1 1 1 15 41 8  o 11.11000 2.929000  1.835000       5.857000  
1 1 1 15 41 10 o 9.309000 2.912000  2.127000       5.824000  
1 1 1 15 41 12 o 8.842000 2.999000  -2.035000      5.998000  
1 1 1 15 41 14 o 22.91000 2.605000  -11.46000      5.211000  
1 1 1 15 41 16 o 6.878000 2.359000  3.196000       4.719000  
1 1 1 15 42 1  o 8.229000 2.682000  0.9635000      5.364000  
1 1 1 15 42 3  o 10.80000 3.067000  2.394000       6.135000  
1 1 1 15 42 5  o 12.48000 3.481000  0.6828000      6.963000  
1 1 1 15 42 7  f 11.64000 3.201000  3.873000       6.402000  
1 1 1 15 42 9  o 11.75000 2.916000  -3.113000      5.832000  
1 1 1 15 42 11 o 34.45000 1.667000  -4.254000      3.334000  
1 1 1 15 42 13 o 6.864000 2.277000  3.601000       4.553000  
1 1 1 15 43 0  o 36.03000 2.718000  0.000000       0.000000  
1 1 1 15 43 2  o 37.02000 1.530000  2.304000       3.060000  
1 1 1 15 43 4  o 35.07000 2.722000  ?              ?         
1 1 1 15 43 6  o 20.58000 3.403000  10.17000       6.807000  
1 1 1 15 43 8  o 7.694000 2.528000  3.486000       5.057000  
1 1 1 16 0  0  o 37.87000 1.206000  0.000000       0.000000  
1 1 1 16 0  2  o 54.04000 1.066000  0.000000       0.000000  
1 1 1 16 0  4  o 56.76000 1.103000  0.000000       0.000000  
1 1 1 16 0  6  o 79.62000 1.484000  0.000000       0.000000  
1 1 1 16 0  8  o 47.68000 1.003000  0.000000       0.000000  
1 1 1 16 0  10 o 167.4000 3.032000  0.000000       0.000000  
1 1 1 16 0  12 o 91.89000 1.729000  0.000000       0.000000  
1 1 1 16 0  14 o 46.16000 1.120000  0.000000       0.000000  
1 1 1 16 0  16 o 53.01000 1.262000  0.000000       0.000000  
1 1 1 16 0  18 o 31.75000 0.9092000 0.000000       0.000000  
1 1 1 16 0  20 o 94.38000 2.019000  0.000000       0.000000  
1 1 1 16 0  22 o 67.44000 1.348000  0.000000       0.000000  
1 1 1 16 0  24 o 5.571000 2.316000  0.000000       0.000000  
1 1 1 16 0  26 o 57.88000 1.842000  0.000000       0.000000  
1 1 1 16 0  28 o 19.45000 1.223000  0.000000       0.000000  
1 1 1 16 0  30 o 33.81000 1.143000  0.000000       0.000000  
1 1 1 16 0  32 o 10.54000 2.304000  0.000000       0.000000  
1 1 1 16 0  34 o 38.01000 1.144000  0.000000       0.000000  
1 1 1 16 0  36 o 44.31000 1.386000  0.000000       0.000000  
1 1 1 16 0  38 o 35.31000 1.550000  0.000000       0.000000  
1 1 1 16 0  40 o 15.54000 1.904000  0.000000       0.000000  
1 1 1 16 0  42 o 33.34000 1.247000  0.000000       0.000000  
1 1 1 16 0  44 o 55.09000 1.520000  0.000000       0.000000  
1 1 1 16 1  1  o 96.09000 1.246000  0.4571000      2.493000  
1 1 1 16 1  3  o 150.8000 1.930000  0.7983000      3.860000  
1 1 1 16 1  5  f 93.41000 1.215000  -0.1765000     2.430000  
1 1 1 16 1  7  o 133.5000 1.718000  0.8942000      3.436000  
1 1 1 16 1  9  o 112.0000 1.453000  1.542000       2.905000  
1 1 1 16 1  11 o 100.5000 1.526000  -0.3609000     3.053000  
1 1 1 16 1  13 o 84.65000 1.143000  -0.9527000E-01 2.286000  
1 1 1 16 1  15 f 61.64000 1.003000  -1.226000      2.007000  
1 1 1 16 1  17 o 67.57000 1.058000  -3.121000      2.117000  
1 1 1 16 1  19 o 35.27000 0.7460000 -3.419000      1.492000  
1 1 1 16 1  21 o 88.37000 1.271000  -4.464000      2.541000  
1 1 1 16 1  23 o 71.62000 0.9938000 1.254000       1.988000  
1 1 1 16 1  25 f 31.43000 0.7377000 2.096000       1.475000  
1 1 1 16 1  27 o 44.40000 0.7978000 -0.7893000     1.596000  
1 1 1 16 1  29 o 75.85000 1.095000  0.1565000      2.191000  
1 1 1 16 1  31 o 9.169000 1.663000  -0.7568000E-01 3.326000  
1 1 1 16 1  33 o 43.57000 0.8297000 -0.3175000     1.659000  
1 1 1 16 1  35 o 9.045000 1.754000  -0.7355000     3.508000  
1 1 1 16 1  37 o 38.59000 1.315000  -2.077000      2.629000  
1 1 1 16 1  39 o 22.36000 1.410000  0.1679000      2.820000  
1 1 1 16 1  41 o 25.48000 1.195000  2.527000       2.390000  
1 1 1 16 1  43 o 39.01000 1.262000  -0.6180000E-01 2.525000  
1 1 1 16 1  45 o 25.86000 1.520000  -0.6796000     3.039000  
1 1 1 16 2  0  o 58.54000 1.136000  0.000000       0.000000  
1 1 1 16 2  2  o 42.19000 0.6422000 -0.7434000     1.284000  
1 1 1 16 2  4  o 52.02000 0.7340000 -0.7407000     1.468000  
1 1 1 16 2  6  o 50.15000 0.7850000 -2.196000      1.570000  
1 1 1 16 2  8  o 48.65000 0.7187000 -0.8505000     1.437000  
1 1 1 16 2  10 o 129.9000 1.816000  -1.129000      3.631000  
1 1 1 16 2  12 o 25.55000 0.8458000 -2.496000      1.692000  
1 1 1 16 2  14 o 49.02000 0.9103000 -1.076000      1.821000  
1 1 1 16 2  16 o 93.48000 1.414000  -0.8023000     2.829000  
1 1 1 16 2  18 o 28.52000 0.6789000 1.628000       1.358000  
1 1 1 16 2  20 o 28.38000 0.7581000 0.9426000      1.516000  
1 1 1 16 2  22 o 45.10000 0.7458000 1.299000       1.492000  
1 1 1 16 2  24 o 44.07000 0.7679000 1.569000       1.536000  
1 1 1 16 2  26 o 34.14000 0.7684000 -1.018000      1.537000  
1 1 1 16 2  28 o 55.76000 0.8957000 -1.113000      1.791000  
1 1 1 16 2  30 o 28.23000 0.7885000 1.942000       1.577000  
1 1 1 16 2  32 o 57.70000 1.019000  -1.441000      2.039000  
1 1 1 16 2  34 o 70.87000 1.168000  -3.377000      2.336000  
1 1 1 16 2  36 o 52.08000 1.144000  -0.3533000     2.289000  
1 1 1 16 2  38 o 6.753000 2.146000  1.510000       4.291000  
1 1 1 16 2  40 o 21.54000 1.307000  1.340000       2.615000  
1 1 1 16 2  42 o 20.85000 1.388000  0.9565000      2.777000  
1 1 1 16 2  44 o 26.41000 1.241000  1.172000       2.481000  
1 1 1 16 2  46 o 20.61000 3.344000  -8.427000      6.687000  
1 1 1 16 3  1  f 70.65000 0.9418000 0.2567000      1.884000  
1 1 1 16 3  3  o 73.36000 0.9730000 -0.9628000E-01 1.946000  
1 1 1 16 3  5  o 76.11000 1.007000  0.5091000      2.015000  
1 1 1 16 3  7  o 78.11000 1.071000  0.2525000      2.142000  
1 1 1 16 3  9  o 56.84000 1.011000  1.301000       2.022000  
1 1 1 16 3  11 o 51.39000 0.8581000 1.827000       1.716000  
1 1 1 16 3  13 o 24.15000 1.067000  -1.361000      2.134000  
1 1 1 16 3  15 o 58.30000 1.029000  0.4941000      2.058000  
1 1 1 16 3  17 o 28.02000 0.7035000 1.196000       1.407000  
1 1 1 16 3  19 o 123.9000 1.848000  3.022000       3.696000  
1 1 1 16 3  21 o 55.81000 0.9072000 -2.041000      1.814000  
1 1 1 16 3  23 o 75.03000 1.036000  -5.154000      2.071000  
1 1 1 16 3  25 o 45.83000 0.8122000 2.147000       1.624000  
1 1 1 16 3  27 o 64.74000 1.279000  -0.8110000     2.558000  
1 1 1 16 3  29 o 48.15000 0.9313000 1.676000       1.863000  
1 1 1 16 3  31 o 13.84000 1.495000  -0.7380000     2.989000  
1 1 1 16 3  33 o 8.105000 1.939000  1.943000       3.879000  
1 1 1 16 3  35 o 56.03000 1.133000  1.833000       2.267000  
1 1 1 16 3  37 o 33.88000 1.449000  -2.346000      2.897000  
1 1 1 16 3  39 o 17.08000 1.989000  -1.388000      3.979000  
1 1 1 16 3  41 o 20.93000 1.525000  1.035000       3.050000  
1 1 1 16 3  43 o 20.19000 1.596000  2.298000       3.191000  
1 1 1 16 3  45 o 13.97000 2.374000  2.663000       4.748000  
1 1 1 16 4  0  o 26.02000 0.8345000 0.000000       0.000000  
1 1 1 16 4  2  o 65.63000 0.8829000 0.6492000      1.766000  
1 1 1 16 4  4  o 48.09000 0.7020000 -0.5456000     1.404000  
1 1 1 16 4  6  o 30.66000 0.6457000 0.2119000      1.291000  
1 1 1 16 4  8  o 120.5000 1.612000  -1.715000      3.224000  
1 1 1 16 4  10 o 27.51000 0.7671000 1.465000       1.534000  
1 1 1 16 4  12 o 65.00000 1.194000  4.873000       2.389000  
1 1 1 16 4  14 o 22.23000 1.029000  2.761000       2.058000  
1 1 1 16 4  16 o 26.37000 0.8799000 2.364000       1.760000  
1 1 1 16 4  18 o 15.01000 0.9504000 2.592000       1.901000  
1 1 1 16 4  20 o 68.08000 1.018000  -3.114000      2.037000  
1 1 1 16 4  22 o 55.35000 0.9360000 -1.108000      1.872000  
1 1 1 16 4  24 o 60.46000 1.247000  -1.101000      2.495000  
1 1 1 16 4  26 o 30.33000 0.8924000 -1.285000      1.785000  
1 1 1 16 4  28 o 59.67000 1.197000  0.3139000      2.394000  
1 1 1 16 4  30 o 24.70000 0.9362000 -0.9126000     1.872000  
1 1 1 16 4  32 o 28.33000 0.9825000 -1.019000      1.965000  
1 1 1 16 4  34 o 41.28000 0.9945000 1.571000       1.989000  
1 1 1 16 4  36 o 61.17000 1.308000  1.994000       2.616000  
1 1 1 16 4  38 o 42.12000 1.420000  3.266000       2.840000  
1 1 1 16 4  40 o 6.139000 1.946000  2.379000       3.893000  
1 1 1 16 4  42 o 34.86000 1.106000  1.504000       2.212000  
1 1 1 16 4  44 o 36.94000 1.215000  -0.7948000     2.430000  
1 1 1 16 4  46 o 14.79000 3.194000  -6.795000      6.388000  
1 1 1 16 5  1  o 86.53000 1.136000  0.9906000      2.271000  
1 1 1 16 5  3  o 45.58000 0.7522000 0.2872000      1.504000  
1 1 1 16 5  5  f 138.9000 1.845000  -1.291000      3.690000  
1 1 1 16 5  7  o 48.12000 0.7565000 0.5144000      1.513000  
1 1 1 16 5  9  o 106.0000 1.441000  -4.964000      2.882000  
1 1 1 16 5  11 o 5.786000 1.757000  -3.057000      3.514000  
1 1 1 16 5  13 o 133.9000 2.238000  2.505000       4.477000  
1 1 1 16 5  15 o 95.20000 1.540000  -0.7580000     3.080000  
1 1 1 16 5  17 o 34.38000 0.9422000 0.7214000      1.884000  
1 1 1 16 5  19 o 93.62000 1.341000  3.709000       2.682000  
1 1 1 16 5  21 o 32.21000 1.190000  4.048000       2.380000  
1 1 1 16 5  23 f 84.95000 1.257000  2.072000       2.514000  
1 1 1 16 5  25 f 81.73000 1.226000  1.537000       2.451000  
1 1 1 16 5  27 o 53.27000 0.9487000 -2.383000      1.897000  
1 1 1 16 5  29 o 51.81000 1.018000  -2.325000      2.037000  
1 1 1 16 5  31 o 28.23000 1.027000  -0.3363000     2.055000  
1 1 1 16 5  33 o 34.45000 1.010000  0.8232000E-01  2.020000  
1 1 1 16 5  35 o 27.24000 1.136000  -2.468000      2.271000  
1 1 1 16 5  37 o 23.69000 1.528000  0.4195000      3.057000  
1 1 1 16 5  39 o 33.84000 1.147000  -1.967000      2.294000  
1 1 1 16 5  41 o 13.96000 1.931000  7.382000       3.862000  
1 1 1 16 5  43 o 28.54000 1.204000  1.766000       2.408000  
1 1 1 16 5  45 o 10.17000 2.653000  4.359000       5.306000  
1 1 1 16 6  0  o 85.25000 1.591000  0.000000       0.000000  
1 1 1 16 6  2  o 74.42000 1.027000  1.427000       2.053000  
1 1 1 16 6  4  o 47.31000 0.7673000 2.765000       1.535000  
1 1 1 16 6  6  o 26.54000 0.7165000 -0.1636000     1.433000  
1 1 1 16 6  8  o 53.33000 0.9808000 -1.655000      1.962000  
1 1 1 16 6  10 o 58.14000 0.8915000 0.7080000      1.783000  
1 1 1 16 6  12 o 104.3000 1.481000  -1.095000      2.962000  
1 1 1 16 6  14 o 19.20000 1.197000  -1.642000      2.394000  
1 1 1 16 6  16 o 135.5000 2.728000  -3.382000      5.456000  
1 1 1 16 6  18 o 80.63000 1.080000  -3.495000      2.160000  
1 1 1 16 6  20 o 11.63000 2.372000  2.039000       4.745000  
1 1 1 16 6  22 o 39.14000 1.211000  -1.566000      2.423000  
1 1 1 16 6  24 o 32.11000 0.8745000 -2.454000      1.749000  
1 1 1 16 6  26 o 85.24000 1.276000  0.4750000      2.553000  
1 1 1 16 6  28 o 47.57000 0.9612000 1.348000       1.922000  
1 1 1 16 6  30 o 53.55000 1.027000  2.091000       2.054000  
1 1 1 16 6  32 o 19.91000 1.097000  1.287000       2.193000  
1 1 1 16 6  34 o 7.956000 2.038000  1.738000       4.075000  
1 1 1 16 6  36 o 18.15000 1.870000  2.497000       3.741000  
1 1 1 16 6  38 o 31.96000 1.349000  0.9566000      2.699000  
1 1 1 16 6  40 o 29.98000 1.249000  -0.4755000     2.498000  
1 1 1 16 6  42 o 20.65000 1.384000  0.7118000      2.768000  
1 1 1 16 6  44 o 15.44000 1.650000  4.978000       3.299000  
1 1 1 16 7  1  o 38.39000 0.6810000 -0.1041000     1.362000  
1 1 1 16 7  3  o 20.82000 0.8609000 0.5373000      1.722000  
1 1 1 16 7  5  o 97.21000 1.320000  0.3892000      2.641000  
1 1 1 16 7  7  o 48.78000 1.178000  -1.401000      2.355000  
1 1 1 16 7  9  o 55.63000 0.8704000 1.336000       1.741000  
1 1 1 16 7  11 o 74.07000 1.121000  -2.307000      2.241000  
1 1 1 16 7  13 o 73.57000 1.269000  -1.832000      2.537000  
1 1 1 16 7  15 o 71.80000 1.212000  -3.499000      2.425000  
1 1 1 16 7  17 o 22.18000 0.8243000 -2.045000      1.649000  
1 1 1 16 7  19 o 39.58000 0.7828000 0.9060000      1.566000  
1 1 1 16 7  21 o 65.69000 1.280000  3.043000       2.560000  
1 1 1 16 7  23 o 22.37000 0.9062000 -2.273000      1.812000  
1 1 1 16 7  25 o 78.13000 1.197000  0.6091000      2.394000  
1 1 1 16 7  27 o 44.61000 0.9286000 2.069000       1.857000  
1 1 1 16 7  29 o 81.44000 1.481000  0.3001000      2.961000  
1 1 1 16 7  31 o 34.05000 0.9413000 -1.494000      1.883000  
1 1 1 16 7  33 f 21.83000 1.152000  -3.568000      2.303000  
1 1 1 16 7  35 o 44.55000 1.188000  -2.676000      2.376000  
1 1 1 16 7  37 o 21.40000 1.813000  2.527000       3.626000  
1 1 1 16 7  39 o 7.869000 2.136000  -0.3942000     4.272000  
1 1 1 16 7  41 o 12.77000 2.019000  -2.743000      4.037000  
1 1 1 16 7  43 o 20.65000 1.330000  -1.196000      2.660000  
1 1 1 16 7  45 o 27.04000 2.669000  7.767000       5.337000  
1 1 1 16 8  0  o 129.6000 2.363000  0.000000       0.000000  
1 1 1 16 8  2  o 150.6000 1.936000  -2.272000      3.872000  
1 1 1 16 8  4  o 175.3000 2.429000  -3.250000      4.857000  
1 1 1 16 8  6  o 60.58000 0.9487000 1.386000       1.897000  
1 1 1 16 8  8  o 20.27000 1.069000  0.9296000      2.138000  
1 1 1 16 8  10 o 37.38000 0.8916000 -0.1384000     1.783000  
1 1 1 16 8  12 o 124.0000 1.866000  -5.956000      3.731000  
1 1 1 16 8  14 o 79.50000 1.786000  -6.149000      3.573000  
1 1 1 16 8  16 o 31.89000 0.8175000 0.7448000      1.635000  
1 1 1 16 8  18 o 18.01000 0.9073000 0.4646000      1.815000  
1 1 1 16 8  20 o 27.32000 1.439000  2.131000       2.879000  
1 1 1 16 8  22 o 50.70000 1.201000  1.265000       2.403000  
1 1 1 16 8  24 o 21.01000 1.042000  -0.5442000     2.083000  
1 1 1 16 8  26 o 33.06000 0.8702000 0.2412000E-01  1.740000  
1 1 1 16 8  28 o 55.61000 1.008000  0.7683000E-01  2.017000  
1 1 1 16 8  30 o 47.69000 1.065000  -0.4512000     2.129000  
1 1 1 16 8  32 o 10.28000 1.911000  -1.543000      3.821000  
1 1 1 16 8  34 o 23.55000 1.125000  0.5974000      2.249000  
1 1 1 16 8  36 o 34.93000 1.388000  -5.557000      2.776000  
1 1 1 16 8  38 o 31.05000 1.205000  -0.9601000     2.411000  
1 1 1 16 8  40 o 8.501000 2.249000  2.057000       4.498000  
1 1 1 16 8  42 o 13.90000 3.030000  -1.092000      6.060000  
1 1 1 16 8  44 o 13.54000 2.635000  -1.703000      5.269000  
1 1 1 16 9  1  o 39.01000 0.7225000 -0.9599000     1.445000  
1 1 1 16 9  3  o 94.00000 1.433000  -2.929000      2.866000  
1 1 1 16 9  5  o 67.59000 1.037000  -0.4534000     2.074000  
1 1 1 16 9  7  o 130.2000 1.751000  -3.996000      3.503000  
1 1 1 16 9  9  o 110.9000 1.517000  -2.269000      3.033000  
1 1 1 16 9  11 o 56.54000 1.013000  -5.391000      2.026000  
1 1 1 16 9  13 f 51.80000 1.323000  -2.629000      2.647000  
1 1 1 16 9  15 o 61.91000 1.397000  -2.330000      2.794000  
1 1 1 16 9  17 o 26.75000 0.7542000 -1.466000      1.508000  
1 1 1 16 9  19 o 47.19000 1.174000  0.2235000      2.347000  
1 1 1 16 9  21 o 25.86000 1.666000  2.492000       3.332000  
1 1 1 16 9  23 o 19.91000 1.107000  0.2204000      2.214000  
1 1 1 16 9  25 o 35.63000 0.8726000 -1.553000      1.745000  
1 1 1 16 9  27 o 15.07000 1.330000  -2.550000      2.660000  
1 1 1 16 9  29 o 18.53000 1.177000  -0.6392000     2.354000  
1 1 1 16 9  31 o 19.69000 1.149000  -1.051000      2.297000  
1 1 1 16 9  33 o 10.45000 1.881000  -0.5338000     3.762000  
1 1 1 16 9  35 o 9.494000 2.463000  1.453000       4.927000  
1 1 1 16 9  37 o 28.27000 1.599000  -1.482000      3.198000  
1 1 1 16 9  39 o 19.78000 2.130000  2.802000       4.260000  
1 1 1 16 9  41 o 31.65000 1.929000  -0.1148000E-01 3.858000  
1 1 1 16 9  43 o 9.123000 2.451000  -1.003000      4.902000  
1 1 1 16 9  45 o 9.183000 2.935000  2.539000       5.870000  
1 1 1 16 10 0  o 49.79000 1.359000  0.000000       0.000000  
1 1 1 16 10 2  o 80.29000 1.097000  -2.149000      2.194000  
1 1 1 16 10 4  o 97.88000 1.298000  -1.911000      2.596000  
1 1 1 16 10 6  o 36.29000 0.9256000 -2.156000      1.851000  
1 1 1 16 10 8  o 74.91000 1.678000  2.321000       3.356000  
1 1 1 16 10 10 o 65.49000 1.206000  2.186000       2.412000  
1 1 1 16 10 12 o 17.88000 1.501000  4.976000       3.002000  
1 1 1 16 10 14 o 29.64000 0.9189000 2.614000       1.838000  
1 1 1 16 10 16 f 15.50000 1.052000  -0.7606000     2.104000  
1 1 1 16 10 18 o 46.65000 0.8992000 1.003000       1.798000  
1 1 1 16 10 20 o 42.96000 1.251000  1.449000       2.503000  
1 1 1 16 10 22 o 32.04000 0.7378000 -2.520000      1.476000  
1 1 1 16 10 24 o 25.35000 0.9645000 -3.488000      1.929000  
1 1 1 16 10 26 o 56.29000 1.090000  -0.9316000     2.180000  
1 1 1 16 10 28 o 50.15000 1.080000  -0.7605000     2.161000  
1 1 1 16 10 30 o 25.03000 1.045000  -1.362000      2.090000  
1 1 1 16 10 32 o 31.89000 1.052000  1.392000       2.104000  
1 1 1 16 10 34 o 58.81000 1.404000  -6.740000      2.809000  
1 1 1 16 10 36 o 7.524000 3.379000  ?              ?         
1 1 1 16 10 38 o 9.565000 2.546000  2.334000       5.091000  
1 1 1 16 10 40 o 33.52000 2.305000  1.491000       4.609000  
1 1 1 16 10 42 o 15.74000 2.265000  -0.3574000     4.531000  
1 1 1 16 10 44 o 20.97000 2.126000  -2.691000      4.253000  
1 1 1 16 11 1  o 66.46000 1.137000  0.7674000      2.274000  
1 1 1 16 11 3  o 59.84000 0.9178000 -1.713000      1.836000  
1 1 1 16 11 5  o 10.37000 2.020000  -2.418000      4.041000  
1 1 1 16 11 7  o 74.39000 1.322000  -1.525000      2.645000  
1 1 1 16 11 9  o 45.57000 1.233000  -3.402000      2.465000  
1 1 1 16 11 11 o 63.13000 1.139000  -0.4510000     2.279000  
1 1 1 16 11 13 o 68.89000 1.197000  -0.2390000     2.393000  
1 1 1 16 11 15 o 44.84000 0.9097000 -0.1927000     1.819000  
1 1 1 16 11 17 o 14.51000 1.327000  -0.9064000     2.653000  
1 1 1 16 11 19 o 23.95000 2.158000  -6.785000      4.315000  
1 1 1 16 11 21 o 44.11000 1.470000  -3.657000      2.939000  
1 1 1 16 11 23 o 51.62000 0.9580000 0.8659000      1.916000  
1 1 1 16 11 25 o 42.54000 1.011000  0.8701000      2.021000  
1 1 1 16 11 27 o 37.67000 0.9699000 -2.327000      1.940000  
1 1 1 16 11 29 o 10.24000 1.884000  0.3507000      3.768000  
1 1 1 16 11 31 o 20.11000 1.310000  5.634000       2.620000  
1 1 1 16 11 33 o 39.83000 1.082000  1.843000       2.163000  
1 1 1 16 11 35 o 17.50000 2.499000  -3.856000      4.998000  
1 1 1 16 11 37 o 21.18000 2.149000  1.444000       4.299000  
1 1 1 16 11 39 o 32.77000 1.618000  5.600000       3.235000  
1 1 1 16 11 41 o 25.47000 1.619000  2.909000       3.238000  
1 1 1 16 11 43 o 17.89000 2.312000  1.837000       4.625000  
1 1 1 16 12 0  o 43.12000 2.071000  0.000000       0.000000  
1 1 1 16 12 2  o 50.83000 0.8931000 -0.9691000     1.786000  
1 1 1 16 12 4  o 75.05000 1.305000  1.333000       2.610000  
1 1 1 16 12 6  o 97.67000 1.433000  -1.826000      2.867000  
1 1 1 16 12 8  o 82.70000 1.488000  2.658000       2.976000  
1 1 1 16 12 10 o 60.66000 1.301000  -1.357000      2.602000  
1 1 1 16 12 12 o 66.90000 1.047000  0.4651000      2.094000  
1 1 1 16 12 14 o 52.12000 0.8983000 0.8676000      1.797000  
1 1 1 16 12 16 f 37.40000 0.9693000 -0.5875000     1.939000  
1 1 1 16 12 18 o 91.35000 1.618000  7.886000       3.235000  
1 1 1 16 12 20 o 81.43000 1.421000  0.2694000      2.841000  
1 1 1 16 12 22 o 20.64000 1.019000  2.557000       2.038000  
1 1 1 16 12 24 o 15.33000 1.296000  -1.572000      2.593000  
1 1 1 16 12 26 o 17.38000 1.144000  2.646000       2.287000  
1 1 1 16 12 28 o 13.50000 1.473000  1.910000       2.946000  
1 1 1 16 12 30 o 28.01000 0.9776000 1.251000       1.955000  
1 1 1 16 12 32 o 41.95000 1.043000  -0.2557000     2.087000  
1 1 1 16 12 34 o 8.852000 2.270000  5.962000       4.541000  
1 1 1 16 12 36 o 33.58000 1.491000  2.218000       2.983000  
1 1 1 16 12 38 o 46.36000 1.428000  2.490000       2.855000  
1 1 1 16 12 40 o 6.994000 2.147000  0.2236000      4.294000  
1 1 1 16 12 42 o 21.72000 1.788000  1.008000       3.577000  
1 1 1 16 12 44 o 32.96000 1.514000  0.5804000      3.027000  
1 1 1 16 13 1  o 179.2000 2.668000  2.192000       5.336000  
1 1 1 16 13 3  o 58.22000 1.139000  -0.4082000     2.278000  
1 1 1 16 13 5  o 100.3000 1.566000  1.348000       3.132000  
1 1 1 16 13 7  o 10.59000 2.492000  -1.109000      4.983000  
1 1 1 16 13 9  o 130.0000 1.958000  0.1097000      3.916000  
1 1 1 16 13 11 o 65.22000 1.217000  0.2011000      2.434000  
1 1 1 16 13 13 o 42.20000 0.9179000 0.3745000      1.836000  
1 1 1 16 13 15 o 48.01000 1.136000  -1.216000      2.272000  
1 1 1 16 13 17 o 66.08000 1.237000  3.171000       2.473000  
1 1 1 16 13 19 o 103.2000 1.532000  5.424000       3.064000  
1 1 1 16 13 21 o 48.07000 1.129000  -0.5935000     2.258000  
1 1 1 16 13 23 o 16.57000 1.193000  -0.5016000E-01 2.387000  
1 1 1 16 13 25 o 39.94000 0.8855000 4.199000       1.771000  
1 1 1 16 13 27 o 18.73000 1.135000  -0.7548000     2.269000  
1 1 1 16 13 29 o 30.47000 0.9546000 -1.653000      1.909000  
1 1 1 16 13 31 o 39.43000 3.018000  4.851000       6.036000  
1 1 1 16 13 33 o 18.87000 1.641000  3.597000       3.281000  
1 1 1 16 13 35 o 10.15000 2.798000  3.468000       5.597000  
1 1 1 16 13 37 o 10.11000 2.536000  -1.610000      5.073000  
1 1 1 16 13 39 o 27.56000 1.427000  -0.8986000     2.854000  
1 1 1 16 13 41 o 10.43000 2.438000  1.975000       4.877000  
1 1 1 16 13 43 o 38.36000 1.522000  3.986000       3.043000  
1 1 1 16 14 0  o 30.07000 1.700000  0.000000       0.000000  
1 1 1 16 14 2  o 49.67000 1.076000  0.3723000      2.153000  
1 1 1 16 14 4  o 87.89000 1.574000  -0.6855000     3.147000  
1 1 1 16 14 6  o 93.15000 1.552000  -0.6606000E-01 3.104000  
1 1 1 16 14 8  o 99.13000 1.893000  -1.686000      3.785000  
1 1 1 16 14 10 o 58.20000 1.248000  -2.114000      2.496000  
1 1 1 16 14 12 o 67.12000 1.245000  -4.403000      2.491000  
1 1 1 16 14 14 o 58.38000 1.146000  -5.543000      2.293000  
1 1 1 16 14 16 o 31.00000 0.9868000 -2.140000      1.974000  
1 1 1 16 14 18 o 55.81000 1.208000  -2.132000      2.415000  
1 1 1 16 14 20 o 8.526000 2.011000  -0.3825000     4.023000  
1 1 1 16 14 22 o 17.96000 1.327000  -2.459000      2.653000  
1 1 1 16 14 24 o 30.72000 0.8707000 0.2195000      1.741000  
1 1 1 16 14 26 o 22.07000 0.9212000 -2.034000      1.842000  
1 1 1 16 14 28 o 33.52000 0.9135000 -0.2129000     1.827000  
1 1 1 16 14 30 o 50.12000 1.095000  1.321000       2.189000  
1 1 1 16 14 32 o 62.68000 1.518000  5.097000       3.037000  
1 1 1 16 14 34 o 62.76000 1.248000  -2.474000      2.497000  
1 1 1 16 14 36 o 18.58000 2.113000  1.564000       4.227000  
1 1 1 16 14 38 f 29.71000 1.299000  3.076000       2.598000  
1 1 1 16 14 40 o 18.03000 1.979000  -1.393000      3.958000  
1 1 1 16 14 42 o 7.863000 2.461000  -2.833000      4.922000  
1 1 1 16 15 1  o 146.1000 2.316000  -8.003000      4.632000  
1 1 1 16 15 3  o 94.38000 2.122000  -6.632000      4.244000  
1 1 1 16 15 5  o 63.89000 1.520000  7.199000       3.041000  
1 1 1 16 15 7  o 66.64000 1.337000  -3.983000      2.674000  
1 1 1 16 15 9  o 84.35000 1.843000  2.478000       3.687000  
1 1 1 16 15 11 o 108.2000 2.242000  2.307000       4.484000  
1 1 1 16 15 13 o 84.71000 1.460000  -2.838000      2.919000  
1 1 1 16 15 15 o 81.82000 1.483000  3.572000       2.966000  
1 1 1 16 15 17 o 88.57000 1.636000  1.870000       3.273000  
1 1 1 16 15 19 o 35.56000 1.138000  -5.151000      2.276000  
1 1 1 16 15 21 o 15.74000 3.413000  1.382000       6.827000  
1 1 1 16 15 23 o 27.94000 0.9030000 -1.874000      1.806000  
1 1 1 16 15 25 o 13.59000 1.518000  1.405000       3.036000  
1 1 1 16 15 27 o 56.05000 1.108000  -2.332000      2.216000  
1 1 1 16 15 29 o 17.26000 1.186000  -2.463000      2.371000  
1 1 1 16 15 31 o 33.01000 1.016000  3.893000       2.033000  
1 1 1 16 15 33 o 26.81000 1.521000  0.8196000E-01  3.042000  
1 1 1 16 15 35 o 19.90000 1.936000  1.299000       3.872000  
1 1 1 16 15 37 o 11.41000 2.424000  -2.986000      4.848000  
1 1 1 16 15 39 o 13.36000 2.150000  -0.5822000E-01 4.300000  
1 1 1 16 15 41 f 9.958000 2.597000  -2.318000      5.194000  
1 1 1 16 15 43 o 17.97000 3.321000  7.782000       6.642000  
1 1 1 16 16 0  o 138.4000 2.966000  0.000000       0.000000  
1 1 1 16 16 2  o 145.4000 2.334000  3.043000       4.669000  
1 1 1 16 16 4  f 65.34000 1.491000  0.9383000E-01  2.982000  
1 1 1 16 16 6  o 38.89000 1.100000  3.218000       2.201000  
1 1 1 16 16 8  o 46.79000 1.145000  -2.600000      2.289000  
1 1 1 16 16 10 o 31.46000 3.065000  -3.969000      6.130000  
1 1 1 16 16 12 o 64.92000 1.294000  -2.208000      2.587000  
1 1 1 16 16 14 o 18.94000 1.346000  -2.333000      2.692000  
1 1 1 16 16 16 o 34.66000 1.002000  -2.635000      2.005000  
1 1 1 16 16 18 o 35.06000 1.023000  2.125000       2.045000  
1 1 1 16 16 20 o 37.21000 0.9904000 -0.3352000E-01 1.981000  
1 1 1 16 16 22 o 41.46000 2.091000  1.274000       4.181000  
1 1 1 16 16 24 o 25.23000 0.9698000 0.5657000      1.940000  
1 1 1 16 16 26 o 50.20000 1.047000  1.029000       2.095000  
1 1 1 16 16 28 o 47.51000 1.084000  0.6305000      2.169000  
1 1 1 16 16 30 f 21.17000 1.065000  1.935000       2.130000  
1 1 1 16 16 32 o 17.28000 1.984000  -0.9699000     3.967000  
1 1 1 16 16 34 o 12.09000 3.114000  -3.247000      6.228000  
1 1 1 16 16 36 o 9.476000 2.320000  1.512000       4.641000  
1 1 1 16 16 38 o 13.55000 2.150000  0.3262000      4.300000  
1 1 1 16 16 40 o 31.43000 1.249000  -0.3993000     2.499000  
1 1 1 16 16 42 o 12.31000 2.978000  -0.1560000     5.956000  
1 1 1 16 17 1  o 122.7000 1.742000  0.5902000      3.484000  
1 1 1 16 17 3  o 9.912000 1.978000  4.472000       3.956000  
1 1 1 16 17 5  o 82.28000 1.409000  4.535000       2.818000  
1 1 1 16 17 7  o 73.75000 1.232000  -0.5067000     2.465000  
1 1 1 16 17 9  o 42.70000 0.9198000 -3.132000      1.840000  
1 1 1 16 17 11 o 20.13000 1.465000  -0.8951000     2.930000  
1 1 1 16 17 13 o 56.22000 1.046000  1.175000       2.091000  
1 1 1 16 17 15 o 118.8000 1.659000  4.843000       3.318000  
1 1 1 16 17 17 o 47.97000 1.049000  1.922000       2.099000  
1 1 1 16 17 19 o 61.54000 1.124000  1.309000       2.248000  
1 1 1 16 17 21 o 31.79000 1.018000  1.159000       2.037000  
1 1 1 16 17 23 o 21.12000 3.619000  0.5960000      7.238000  
1 1 1 16 17 25 o 24.81000 0.9627000 -0.6034000     1.925000  
1 1 1 16 17 27 o 36.03000 0.9275000 -2.996000      1.855000  
1 1 1 16 17 29 o 59.71000 1.258000  4.272000       2.516000  
1 1 1 16 17 31 o 28.48000 4.228000  -8.941000      8.456000  
1 1 1 16 17 33 o 7.751000 2.670000  1.622000       5.339000  
1 1 1 16 17 35 f 12.05000 3.891000  10.24000       7.783000  
1 1 1 16 17 37 o 41.51000 2.686000  -5.750000      5.372000  
1 1 1 16 17 39 o 18.68000 1.712000  0.1890000E-01  3.424000  
1 1 1 16 17 41 o 26.78000 1.555000  3.778000       3.110000  
1 1 1 16 18 0  o 10.58000 2.941000  0.000000       0.000000  
1 1 1 16 18 2  o 66.44000 1.219000  -0.5807000E-01 2.437000  
1 1 1 16 18 4  o 26.07000 1.209000  1.624000       2.417000  
1 1 1 16 18 6  o 50.03000 0.9647000 -2.426000      1.929000  
1 1 1 16 18 8  o 60.64000 1.057000  -0.4212000     2.115000  
1 1 1 16 18 10 o 36.72000 1.028000  -0.4110000     2.056000  
1 1 1 16 18 12 o 13.61000 1.949000  -0.8590000     3.899000  
1 1 1 16 18 14 o 66.13000 1.138000  -3.761000      2.275000  
1 1 1 16 18 16 o 26.19000 1.181000  1.450000       2.362000  
1 1 1 16 18 18 o 31.96000 1.142000  -0.4991000     2.285000  
1 1 1 16 18 20 o 17.57000 1.431000  0.5531000      2.862000  
1 1 1 16 18 22 o 48.21000 1.110000  1.789000       2.221000  
1 1 1 16 18 24 o 12.10000 3.513000  6.565000       7.026000  
1 1 1 16 18 26 o 33.99000 0.9768000 2.005000       1.954000  
1 1 1 16 18 28 o 30.41000 0.9387000 -2.034000      1.877000  
1 1 1 16 18 30 o 15.24000 1.654000  2.530000       3.308000  
1 1 1 16 18 32 o 21.19000 2.391000  8.377000       4.782000  
1 1 1 16 18 34 o 25.40000 3.809000  -3.536000      7.619000  
1 1 1 16 18 36 o 13.25000 3.436000  3.510000       6.871000  
1 1 1 16 18 38 o 14.99000 3.725000  8.074000       7.451000  
1 1 1 16 18 40 o 18.85000 2.492000  -15.56000      4.984000  
1 1 1 16 18 42 o 10.21000 3.656000  ?              ?         
1 1 1 16 19 1  o 56.70000 1.033000  -0.8883000     2.067000  
1 1 1 16 19 3  o 69.13000 1.137000  1.389000       2.274000  
1 1 1 16 19 5  o 47.32000 0.9381000 1.307000       1.876000  
1 1 1 16 19 7  o 84.61000 1.456000  5.783000       2.913000  
1 1 1 16 19 9  o 23.44000 1.373000  -0.7668000     2.746000  
1 1 1 16 19 11 o 52.90000 1.023000  -0.6733000     2.047000  
1 1 1 16 19 13 o 57.89000 1.079000  1.704000       2.158000  
1 1 1 16 19 15 f 42.24000 1.055000  -4.017000      2.110000  
1 1 1 16 19 17 o 47.11000 1.236000  0.4985000      2.472000  
1 1 1 16 19 19 o 40.54000 1.084000  4.006000       2.169000  
1 1 1 16 19 21 o 58.43000 1.223000  0.3501000      2.446000  
1 1 1 16 19 23 o 16.33000 3.464000  3.689000       6.927000  
1 1 1 16 19 25 o 11.30000 1.775000  -0.4154000E-01 3.549000  
1 1 1 16 19 27 o 19.38000 1.161000  1.316000       2.322000  
1 1 1 16 19 29 o 31.24000 1.086000  2.458000       2.172000  
1 1 1 16 19 31 f 53.17000 1.294000  1.714000       2.589000  
1 1 1 16 19 33 o 50.61000 2.828000  -11.45000      5.656000  
1 1 1 16 19 35 o 39.79000 2.574000  -8.148000      5.148000  
1 1 1 16 19 37 o 38.32000 2.857000  -10.27000      5.714000  
1 1 1 16 19 39 o 29.15000 3.383000  0.2433000      6.767000  
1 1 1 16 19 41 o 22.35000 3.077000  7.789000       6.154000  
1 1 1 16 20 0  o 14.29000 2.934000  0.000000       0.000000  
1 1 1 16 20 2  o 17.27000 1.959000  -3.486000      3.917000  
1 1 1 16 20 4  o 56.18000 0.9975000 0.2643000      1.995000  
1 1 1 16 20 6  o 83.14000 1.200000  5.519000       2.400000  
1 1 1 16 20 8  o 13.54000 2.231000  -2.128000      4.462000  
1 1 1 16 20 10 o 31.03000 1.219000  0.4162000E-01  2.438000  
1 1 1 16 20 12 o 48.80000 1.123000  -0.6239000     2.246000  
1 1 1 16 20 14 o 61.75000 1.122000  -4.480000      2.243000  
1 1 1 16 20 16 o 43.81000 1.097000  3.800000       2.194000  
1 1 1 16 20 18 o 41.11000 1.065000  0.9050000      2.129000  
1 1 1 16 20 20 o 39.59000 1.061000  2.001000       2.121000  
1 1 1 16 20 22 o 25.12000 1.148000  -2.046000      2.295000  
1 1 1 16 20 24 o 31.24000 2.031000  -1.002000      4.063000  
1 1 1 16 20 26 o 11.88000 1.884000  -1.842000      3.769000  
1 1 1 16 20 28 o 36.91000 1.093000  3.294000       2.186000  
1 1 1 16 20 30 o 35.13000 1.558000  -4.052000      3.117000  
1 1 1 16 20 32 o 45.04000 3.195000  -12.59000      6.389000  
1 1 1 16 20 34 o 14.51000 4.851000  13.80000       9.701000  
1 1 1 16 20 36 o 35.54000 2.639000  -6.061000      5.279000  
1 1 1 16 20 38 o 10.41000 3.408000  8.273000       6.817000  
1 1 1 16 20 40 o 12.90000 2.724000  -3.321000      5.449000  
1 1 1 16 21 1  o 42.10000 1.181000  -2.953000      2.363000  
1 1 1 16 21 3  o 72.14000 1.157000  2.504000       2.314000  
1 1 1 16 21 5  o 66.69000 1.069000  2.739000       2.139000  
1 1 1 16 21 7  o 13.06000 2.402000  2.562000       4.805000  
1 1 1 16 21 9  o 12.06000 2.395000  1.870000       4.789000  
1 1 1 16 21 11 o 56.94000 1.107000  2.080000       2.215000  
1 1 1 16 21 13 o 73.63000 1.210000  1.470000       2.419000  
1 1 1 16 21 15 f 86.05000 1.310000  -0.9393000     2.620000  
1 1 1 16 21 17 o 17.68000 1.538000  2.591000       3.076000  
1 1 1 16 21 19 o 31.07000 1.152000  0.1546000      2.304000  
1 1 1 16 21 21 o 28.30000 1.180000  1.631000       2.360000  
1 1 1 16 21 23 o 13.89000 1.902000  0.7227000      3.804000  
1 1 1 16 21 25 o 21.93000 3.659000  -1.294000      7.317000  
1 1 1 16 21 27 o 39.74000 1.137000  -1.580000      2.275000  
1 1 1 16 21 29 o 14.90000 2.067000  -1.475000      4.133000  
1 1 1 16 21 31 o 22.60000 1.428000  5.233000       2.856000  
1 1 1 16 21 33 o 7.463000 1.997000  -2.162000      3.994000  
1 1 1 16 21 35 o 13.49000 4.341000  12.43000       8.681000  
1 1 1 16 21 37 o 23.88000 3.450000  3.199000       6.900000  
1 1 1 16 21 39 o 8.517000 2.775000  2.751000       5.550000  
1 1 1 16 22 0  o 82.47000 2.353000  0.000000       0.000000  
1 1 1 16 22 2  o 58.01000 1.237000  -0.6745000     2.473000  
1 1 1 16 22 4  o 48.45000 1.062000  0.3042000      2.124000  
1 1 1 16 22 6  o 50.27000 1.020000  -1.716000      2.041000  
1 1 1 16 22 8  o 38.86000 1.074000  3.755000       2.147000  
1 1 1 16 22 10 o 52.59000 1.173000  -4.653000      2.346000  
1 1 1 16 22 12 o 55.31000 1.107000  1.711000       2.215000  
1 1 1 16 22 14 o 24.50000 1.468000  -1.266000      2.936000  
1 1 1 16 22 16 o 26.77000 1.469000  -2.263000      2.937000  
1 1 1 16 22 18 o 8.509000 2.255000  1.602000       4.509000  
1 1 1 16 22 20 o 37.95000 1.154000  0.1736000      2.308000  
1 1 1 16 22 22 o 11.29000 2.278000  1.029000       4.555000  
1 1 1 16 22 24 o 21.96000 1.306000  -1.002000      2.612000  
1 1 1 16 22 26 o 14.56000 3.462000  2.591000       6.924000  
1 1 1 16 22 28 o 16.81000 2.315000  -8.187000      4.630000  
1 1 1 16 22 30 o 18.58000 1.652000  -2.956000      3.303000  
1 1 1 16 22 32 o 38.32000 1.038000  -2.062000      2.077000  
1 1 1 16 22 34 o 14.41000 4.580000  11.67000       9.159000  
1 1 1 16 22 36 o 12.92000 3.507000  2.903000       7.013000  
1 1 1 16 22 38 o 11.38000 3.798000  7.313000       7.597000  
1 1 1 16 22 40 o 8.746000 3.714000  ?              ?         
1 1 1 16 23 1  o 124.4000 2.025000  0.2205000      4.051000  
1 1 1 16 23 3  o 42.85000 1.179000  -2.712000      2.358000  
1 1 1 16 23 5  o 12.10000 2.577000  -3.532000      5.153000  
1 1 1 16 23 7  o 35.47000 1.117000  0.6625000      2.235000  
1 1 1 16 23 9  o 29.45000 1.311000  -1.866000      2.622000  
1 1 1 16 23 11 o 38.49000 1.224000  3.075000       2.448000  
1 1 1 16 23 13 o 36.17000 1.163000  -4.363000      2.325000  
1 1 1 16 23 15 o 47.29000 1.354000  0.6122000      2.709000  
1 1 1 16 23 17 o 42.70000 1.157000  2.308000       2.314000  
1 1 1 16 23 19 o 43.85000 1.122000  -3.582000      2.244000  
1 1 1 16 23 21 o 51.08000 1.280000  1.999000       2.559000  
1 1 1 16 23 23 o 56.57000 1.217000  3.645000       2.434000  
1 1 1 16 23 25 o 8.441000 2.268000  -1.119000      4.537000  
1 1 1 16 23 27 o 36.05000 4.561000  -16.93000      9.123000  
1 1 1 16 23 29 o 49.49000 1.298000  -6.593000      2.595000  
1 1 1 16 23 31 o 34.90000 1.106000  -0.3014000     2.212000  
1 1 1 16 23 33 o 16.72000 1.392000  -2.625000      2.784000  
1 1 1 16 23 35 o 19.22000 3.500000  -4.665000      6.999000  
1 1 1 16 23 37 o 23.57000 3.609000  -4.549000      7.217000  
1 1 1 16 23 39 o 8.843000 3.458000  ?              ?         
1 1 1 16 24 0  o 12.76000 3.863000  0.000000       0.000000  
1 1 1 16 24 2  o 54.45000 1.054000  -0.5150000     2.108000  
1 1 1 16 24 4  o 27.67000 1.511000  -0.9163000     3.022000  
1 1 1 16 24 6  o 56.74000 1.057000  3.120000       2.115000  
1 1 1 16 24 8  o 31.60000 1.303000  -2.244000      2.606000  
1 1 1 16 24 10 o 15.54000 2.296000  -0.4780000     4.593000  
1 1 1 16 24 12 f 17.00000 2.189000  -1.451000      4.378000  
1 1 1 16 24 14 f 24.96000 1.562000  1.685000       3.125000  
1 1 1 16 24 16 o 11.89000 2.460000  -0.6200000     4.919000  
1 1 1 16 24 18 o 24.26000 1.590000  -1.233000      3.180000  
1 1 1 16 24 20 o 48.59000 1.212000  -1.376000      2.424000  
1 1 1 16 24 22 o 39.78000 1.193000  -0.4854000E-01 2.386000  
1 1 1 16 24 24 o 33.98000 1.278000  3.238000       2.557000  
1 1 1 16 24 26 o 33.43000 1.535000  -1.029000      3.070000  
1 1 1 16 24 28 o 10.94000 2.915000  -3.119000      5.829000  
1 1 1 16 24 30 o 19.31000 1.587000  0.2201000E-01  3.175000  
1 1 1 16 24 32 f 12.14000 3.428000  2.764000       6.857000  
1 1 1 16 24 34 o 30.17000 1.148000  1.330000       2.296000  
1 1 1 16 24 36 o 8.232000 3.303000  ?              ?         
1 1 1 16 24 38 o 32.12000 2.231000  -4.666000      4.462000  
1 1 1 16 25 1  o 33.74000 1.274000  -0.1048000     2.549000  
1 1 1 16 25 3  o 28.96000 1.360000  -0.7246000     2.719000  
1 1 1 16 25 5  o 36.92000 1.282000  4.918000       2.563000  
1 1 1 16 25 7  o 59.05000 1.101000  -2.370000      2.201000  
1 1 1 16 25 9  o 57.53000 1.148000  0.9993000      2.297000  
1 1 1 16 25 11 o 34.24000 1.243000  -1.040000      2.486000  
1 1 1 16 25 13 o 29.64000 1.539000  -3.290000      3.079000  
1 1 1 16 25 15 o 25.47000 1.663000  0.7618000      3.327000  
1 1 1 16 25 17 o 28.37000 1.399000  -1.414000      2.797000  
1 1 1 16 25 19 f 30.04000 1.333000  -2.747000      2.667000  
1 1 1 16 25 21 o 18.23000 2.054000  0.5671000      4.107000  
1 1 1 16 25 23 f 32.59000 1.360000  -0.4356000     2.721000  
1 1 1 16 25 25 o 40.06000 1.585000  -4.464000      3.169000  
1 1 1 16 25 27 o 29.02000 1.748000  -1.468000      3.496000  
1 1 1 16 25 29 o 23.51000 3.847000  -4.539000      7.694000  
1 1 1 16 25 31 o 14.32000 3.356000  0.1292000      6.711000  
1 1 1 16 25 33 o 47.33000 1.183000  -2.748000      2.366000  
1 1 1 16 25 35 o 5.278000 1.725000  0.2997000      3.449000  
1 1 1 16 25 37 o 29.35000 2.068000  -0.2757000     4.136000  
1 1 1 16 26 0  o 28.13000 2.004000  0.000000       0.000000  
1 1 1 16 26 2  o 53.08000 1.262000  1.936000       2.525000  
1 1 1 16 26 4  f 25.61000 1.573000  -1.359000      3.146000  
1 1 1 16 26 6  o 32.99000 1.470000  1.030000       2.940000  
1 1 1 16 26 8  o 42.62000 1.373000  0.6499000      2.746000  
1 1 1 16 26 10 f 16.05000 2.627000  3.606000       5.255000  
1 1 1 16 26 12 o 14.66000 2.719000  -1.687000      5.438000  
1 1 1 16 26 14 o 24.12000 1.857000  -1.003000      3.713000  
1 1 1 16 26 16 o 9.983000 2.651000  2.115000       5.301000  
1 1 1 16 26 18 o 72.79000 1.367000  1.433000       2.735000  
1 1 1 16 26 20 f 31.58000 1.424000  -0.2887000     2.848000  
1 1 1 16 26 22 o 52.50000 1.449000  1.986000       2.899000  
1 1 1 16 26 24 o 32.57000 1.788000  5.463000       3.577000  
1 1 1 16 26 26 o 17.30000 2.805000  -1.689000      5.610000  
1 1 1 16 26 28 o 26.75000 1.561000  -1.667000      3.123000  
1 1 1 16 26 30 o 26.93000 3.612000  -6.275000      7.224000  
1 1 1 16 26 32 o 56.93000 1.401000  0.5301000      2.803000  
1 1 1 16 26 34 o 13.71000 1.929000  3.295000       3.859000  
1 1 1 16 26 36 o 28.75000 1.873000  -1.279000      3.746000  
1 1 1 16 27 1  o 9.481000 2.709000  -1.164000      5.418000  
1 1 1 16 27 3  o 48.42000 1.196000  1.836000       2.393000  
1 1 1 16 27 5  o 69.84000 1.226000  -2.791000      2.452000  
1 1 1 16 27 7  o 28.05000 1.666000  -3.288000      3.332000  
1 1 1 16 27 9  o 32.15000 1.564000  -1.987000      3.128000  
1 1 1 16 27 11 o 10.60000 2.855000  -4.387000      5.709000  
1 1 1 16 27 13 o 53.04000 1.656000  -2.769000      3.312000  
1 1 1 16 27 15 o 19.01000 2.275000  1.151000       4.549000  
1 1 1 16 27 17 o 33.03000 1.604000  -4.912000      3.207000  
1 1 1 16 27 19 o 8.244000 2.505000  2.258000       5.009000  
1 1 1 16 27 21 o 33.70000 1.710000  -2.713000      3.420000  
1 1 1 16 27 23 o 50.29000 1.925000  -7.368000      3.849000  
1 1 1 16 27 25 o 23.21000 2.324000  3.266000       4.649000  
1 1 1 16 27 27 o 20.92000 2.028000  -3.533000      4.056000  
1 1 1 16 27 29 o 13.25000 2.370000  -2.472000      4.740000  
1 1 1 16 27 31 f 11.59000 3.821000  8.770000       7.642000  
1 1 1 16 27 33 o 6.083000 1.949000  0.5674000E-01  3.899000  
1 1 1 16 27 35 o 17.31000 1.708000  0.1472000E-01  3.416000  
1 1 1 16 28 0  o 52.16000 1.743000  0.000000       0.000000  
1 1 1 16 28 2  o 44.52000 1.252000  2.617000       2.504000  
1 1 1 16 28 4  o 83.93000 1.343000  -2.652000      2.686000  
1 1 1 16 28 6  o 32.79000 1.518000  -0.8944000     3.035000  
1 1 1 16 28 8  o 35.30000 1.507000  2.707000       3.015000  
1 1 1 16 28 10 o 11.87000 3.069000  -1.936000      6.139000  
1 1 1 16 28 12 o 39.31000 1.472000  -2.708000      2.945000  
1 1 1 16 28 14 f 13.86000 3.092000  -2.061000      6.185000  
1 1 1 16 28 16 o 14.96000 2.711000  5.172000       5.422000  
1 1 1 16 28 18 o 66.90000 1.435000  0.9291000      2.870000  
1 1 1 16 28 20 o 33.36000 2.119000  -2.876000      4.238000  
1 1 1 16 28 22 o 26.72000 3.159000  -6.035000      6.319000  
1 1 1 16 28 24 o 12.54000 3.066000  -7.219000      6.132000  
1 1 1 16 28 26 o 44.91000 1.431000  -2.109000      2.863000  
1 1 1 16 28 28 o 26.30000 1.718000  -1.604000      3.435000  
1 1 1 16 28 30 o 12.91000 2.371000  -6.112000      4.741000  
1 1 1 16 28 32 o 7.703000 2.462000  2.931000       4.924000  
1 1 1 16 28 34 o 22.10000 1.869000  -5.637000      3.738000  
1 1 1 16 29 1  f 11.71000 2.968000  1.085000       5.936000  
1 1 1 16 29 3  o 28.22000 1.853000  1.598000       3.705000  
1 1 1 16 29 5  o 27.54000 1.787000  0.7284000      3.573000  
1 1 1 16 29 7  o 47.59000 1.501000  -2.356000      3.001000  
1 1 1 16 29 9  o 38.37000 1.667000  2.515000       3.334000  
1 1 1 16 29 11 o 31.31000 2.022000  -0.2190000     4.044000  
1 1 1 16 29 13 o 32.81000 1.827000  -0.6162000     3.655000  
1 1 1 16 29 15 o 20.14000 3.072000  0.9609000      6.144000  
1 1 1 16 29 17 f 35.86000 2.063000  -1.169000      4.127000  
1 1 1 16 29 19 f 8.531000 4.130000  ?              ?         
1 1 1 16 29 21 o 7.642000 2.632000  -0.8930000     5.264000  
1 1 1 16 29 23 o 6.202000 2.088000  1.125000       4.176000  
1 1 1 16 29 25 o 22.00000 2.376000  -2.361000      4.752000  
1 1 1 16 29 27 o 20.44000 2.233000  5.393000       4.467000  
1 1 1 16 29 29 o 19.53000 3.872000  -3.269000      7.744000  
1 1 1 16 29 31 o 29.97000 1.495000  -6.108000      2.990000  
1 1 1 16 29 33 f 11.42000 2.900000  0.3054000      5.799000  
1 1 1 16 30 0  o 25.73000 2.238000  0.000000       0.000000  
1 1 1 16 30 2  o 42.44000 1.710000  0.5141000      3.421000  
1 1 1 16 30 4  o 42.45000 2.310000  1.011000       4.620000  
1 1 1 16 30 6  o 15.75000 3.296000  -1.605000      6.592000  
1 1 1 16 30 8  o 55.09000 1.341000  3.003000       2.682000  
1 1 1 16 30 10 f 14.25000 3.307000  -1.833000      6.615000  
1 1 1 16 30 12 o 45.95000 1.745000  -5.296000      3.490000  
1 1 1 16 30 14 o 11.97000 3.371000  2.415000       6.743000  
1 1 1 16 30 16 o 12.79000 3.315000  1.364000       6.630000  
1 1 1 16 30 18 o 35.66000 3.470000  -7.836000      6.941000  
1 1 1 16 30 22 o 8.985000 2.833000  2.766000       5.665000  
1 1 1 16 30 24 o 30.15000 1.854000  -1.418000      3.708000  
1 1 1 16 30 26 o 11.87000 2.964000  5.119000       5.928000  
1 1 1 16 30 28 o 19.82000 2.517000  -0.5392000     5.034000  
1 1 1 16 30 30 o 10.68000 2.747000  2.509000       5.494000  
1 1 1 16 30 32 o 13.27000 3.059000  3.729000       6.118000  
1 1 1 16 31 1  o 12.97000 3.655000  1.994000       7.310000  
1 1 1 16 31 3  o 16.62000 3.606000  0.3059000      7.212000  
1 1 1 16 31 5  o 26.33000 2.607000  1.604000       5.215000  
1 1 1 16 31 7  o 33.48000 2.184000  -2.996000      4.367000  
1 1 1 16 31 9  o 11.69000 3.459000  1.968000       6.917000  
1 1 1 16 31 11 o 12.43000 3.870000  -2.972000      7.740000  
1 1 1 16 31 13 o 14.99000 2.880000  7.693000       5.761000  
1 1 1 16 31 15 o 45.29000 2.171000  1.299000       4.342000  
1 1 1 16 31 17 o 24.96000 2.664000  -16.65000      5.329000  
1 1 1 16 31 19 o 15.67000 3.079000  0.1182000      6.158000  
1 1 1 16 31 21 o 35.27000 2.353000  -2.403000      4.706000  
1 1 1 16 31 23 o 23.62000 2.995000  -2.219000      5.989000  
1 1 1 16 31 25 o 13.39000 3.527000  -0.5241000     7.053000  
1 1 1 16 31 27 o 12.12000 3.428000  0.6605000      6.857000  
1 1 1 16 31 29 o 12.95000 2.798000  1.649000       5.597000  
1 1 1 16 31 31 o 13.69000 2.868000  0.4113000      5.735000  
1 1 1 16 32 0  o 11.85000 4.761000  0.000000       0.000000  
1 1 1 16 32 2  o 31.58000 2.065000  -0.2176000     4.131000  
1 1 1 16 32 4  o 29.45000 2.058000  -1.134000      4.116000  
1 1 1 16 32 6  o 10.10000 3.065000  -1.308000      6.129000  
1 1 1 16 32 8  o 38.89000 3.273000  -16.13000      6.545000  
1 1 1 16 32 10 o 10.10000 3.512000  3.934000       7.024000  
1 1 1 16 32 14 o 63.51000 1.868000  6.567000       3.736000  
1 1 1 16 32 16 o 12.44000 6.107000  ?              ?         
1 1 1 16 32 18 o 21.73000 3.991000  -3.225000      7.982000  
1 1 1 16 32 20 o 23.54000 3.927000  1.334000       7.854000  
1 1 1 16 32 22 o 11.03000 3.375000  1.584000       6.751000  
1 1 1 16 32 24 o 14.96000 3.729000  -3.399000      7.458000  
1 1 1 16 32 26 o 9.202000 2.857000  2.526000       5.714000  
1 1 1 16 32 28 o 10.15000 2.728000  0.9315000      5.455000  
1 1 1 16 32 30 o 27.31000 1.526000  1.608000       3.052000  
1 1 1 16 33 1  o 36.36000 2.008000  -0.6091000     4.017000  
1 1 1 16 33 3  o 12.27000 3.496000  1.645000       6.992000  
1 1 1 16 33 5  f 25.45000 3.250000  0.1487000      6.501000  
1 1 1 16 33 7  o 14.33000 4.009000  -2.389000      8.017000  
1 1 1 16 33 9  o 10.38000 3.611000  -5.116000      7.222000  
1 1 1 16 33 11 o 55.48000 1.866000  -10.42000      3.732000  
1 1 1 16 33 13 o 11.52000 3.400000  4.624000       6.799000  
1 1 1 16 33 15 o 12.07000 2.992000  6.099000       5.985000  
1 1 1 16 33 17 o 37.28000 2.274000  2.993000       4.548000  
1 1 1 16 33 19 o 16.24000 4.408000  3.421000       8.816000  
1 1 1 16 33 21 o 14.35000 3.155000  4.578000       6.311000  
1 1 1 16 33 23 o 18.84000 3.090000  -1.791000      6.181000  
1 1 1 16 33 25 o 14.74000 3.168000  0.5890000      6.336000  
1 1 1 16 33 27 o 10.93000 2.650000  -4.970000      5.299000  
1 1 1 16 33 29 o 49.23000 1.885000  2.809000       3.770000  
1 1 1 16 34 4  o 20.13000 4.868000  -15.48000      9.735000  
1 1 1 16 34 6  o 56.10000 1.636000  -1.917000      3.272000  
1 1 1 16 34 8  f 15.95000 3.403000  13.40000       6.806000  
1 1 1 16 34 10 o 6.198000 3.100000  ?              ?         
1 1 1 16 34 12 o 9.744000 2.792000  0.7418000      5.585000  
1 1 1 16 34 14 o 28.53000 3.224000  0.6965000      6.448000  
1 1 1 16 34 16 f 25.59000 3.329000  2.253000       6.659000  
1 1 1 16 34 18 o 25.37000 3.040000  1.848000       6.080000  
1 1 1 16 34 20 o 49.60000 4.022000  -2.503000      8.045000  
1 1 1 16 34 22 o 26.32000 2.487000  -0.5455000     4.974000  
1 1 1 16 34 24 f 13.79000 2.755000  -4.538000      5.509000  
1 1 1 16 34 26 o 11.21000 3.073000  -2.368000      6.146000  
1 1 1 16 34 28 o 34.08000 1.880000  ?              ?         
1 1 1 16 35 1  o 6.723000 3.341000  ?              ?         
1 1 1 16 35 3  o 6.497000 2.274000  0.5597000      4.548000  
1 1 1 16 35 7  o 6.548000 2.257000  0.4497000      4.515000  
1 1 1 16 35 9  o 9.459000 3.051000  -2.575000      6.101000  
1 1 1 16 35 11 o 17.45000 3.903000  -2.694000      7.806000  
1 1 1 16 35 13 o 13.62000 3.735000  -1.337000      7.469000  
1 1 1 16 35 15 o 16.33000 3.506000  0.5574000      7.012000  
1 1 1 16 35 17 o 12.78000 3.587000  -1.417000      7.175000  
1 1 1 16 35 19 o 32.79000 2.065000  2.492000       4.130000  
1 1 1 16 35 21 o 13.00000 4.032000  9.401000       8.064000  
1 1 1 16 35 23 o 12.96000 2.681000  -4.078000      5.362000  
1 1 1 16 35 25 o 11.77000 3.608000  6.379000       7.216000  
1 1 1 16 35 27 o 7.433000 2.440000  5.000000       4.881000  
1 1 1 16 36 0  o 9.893000 4.231000  0.000000       0.000000  
1 1 1 16 36 2  o 27.95000 3.544000  -0.7222000     7.087000  
1 1 1 16 36 4  o 21.05000 3.679000  4.951000       7.358000  
1 1 1 16 36 6  o 17.57000 4.052000  -5.216000      8.105000  
1 1 1 16 36 8  o 16.24000 4.523000  0.3376000      9.046000  
1 1 1 16 36 10 o 14.11000 3.814000  -0.1777000     7.627000  
1 1 1 16 36 12 o 17.02000 3.568000  0.1158000      7.136000  
1 1 1 16 36 14 o 16.28000 3.589000  -1.460000      7.178000  
1 1 1 16 36 16 f 21.85000 3.072000  1.229000       6.144000  
1 1 1 16 36 18 o 36.41000 2.019000  2.931000       4.037000  
1 1 1 16 36 20 o 37.83000 1.918000  3.263000       3.837000  
1 1 1 16 36 22 f 10.79000 2.863000  0.2690000      5.726000  
1 1 1 16 36 24 o 21.10000 2.838000  -3.820000      5.676000  
1 1 1 16 37 1  o 31.32000 3.127000  -1.979000      6.254000  
1 1 1 16 37 3  o 70.27000 1.713000  1.682000       3.426000  
1 1 1 16 37 5  o 14.01000 3.744000  -2.124000      7.487000  
1 1 1 16 37 7  o 11.01000 3.474000  -0.5295000     6.947000  
1 1 1 16 37 9  o 32.92000 2.414000  1.711000       4.828000  
1 1 1 16 37 11 o 17.14000 3.546000  -8.632000      7.092000  
1 1 1 16 37 13 o 14.77000 3.660000  -4.728000      7.320000  
1 1 1 16 37 15 o 29.90000 2.370000  3.415000       4.740000  
1 1 1 16 37 17 o 16.37000 3.484000  0.1882000      6.969000  
1 1 1 16 37 19 o 8.552000 2.725000  -0.3606000     5.451000  
1 1 1 16 37 21 o 10.82000 2.874000  6.411000       5.748000  
1 1 1 16 37 23 o 21.78000 2.576000  -0.4741000     5.153000  
1 1 1 16 38 0  o 13.50000 5.354000  0.000000       0.000000  
1 1 1 16 38 2  f 11.92000 3.678000  -2.756000      7.356000  
1 1 1 16 38 4  o 13.45000 3.392000  6.342000       6.783000  
1 1 1 16 38 6  o 22.31000 3.760000  2.402000       7.520000  
1 1 1 16 38 8  o 15.14000 4.361000  2.135000       8.723000  
1 1 1 16 38 10 o 15.69000 3.692000  4.484000       7.384000  
1 1 1 16 38 12 o 25.84000 2.756000  3.645000       5.511000  
1 1 1 16 38 14 o 10.40000 3.165000  1.245000       6.330000  
1 1 1 16 38 16 o 8.726000 2.761000  -0.5117000     5.521000  
1 1 1 16 38 18 o 8.506000 2.842000  -2.203000      5.685000  
1 1 1 16 38 20 f 22.29000 2.931000  -8.814000      5.862000  
1 1 1 16 38 22 o 12.63000 3.206000  2.045000       6.412000  
1 1 1 16 39 1  f 18.73000 3.635000  -1.948000      7.271000  
1 1 1 16 39 3  o 16.23000 3.858000  -3.059000      7.716000  
1 1 1 16 39 5  o 34.27000 2.349000  -3.016000      4.698000  
1 1 1 16 39 7  o 33.66000 2.936000  -1.554000      5.872000  
1 1 1 16 39 9  o 17.65000 4.144000  1.747000       8.289000  
1 1 1 16 39 11 o 13.23000 3.466000  -4.573000      6.933000  
1 1 1 16 39 13 o 10.72000 3.080000  -3.281000      6.160000  
1 1 1 16 39 15 o 10.84000 2.941000  3.306000       5.882000  
1 1 1 16 39 17 o 8.544000 2.511000  4.326000       5.022000  
1 1 1 16 39 19 o 21.57000 2.240000  -1.951000      4.480000  
1 1 1 16 40 0  o 28.85000 3.794000  0.000000       0.000000  
1 1 1 16 40 2  f 14.16000 3.771000  -0.6292000     7.542000  
1 1 1 16 40 4  o 14.70000 3.896000  2.520000       7.792000  
1 1 1 16 40 6  o 18.86000 5.433000  7.749000       10.87000  
1 1 1 16 40 8  o 18.39000 3.365000  -4.058000      6.730000  
1 1 1 16 40 10 o 9.319000 2.858000  0.9079000      5.715000  
1 1 1 16 40 12 o 19.35000 3.026000  3.571000       6.051000  
1 1 1 16 40 14 o 6.837000 2.297000  -1.035000      4.594000  
1 1 1 16 40 16 o 34.77000 1.994000  8.706000       3.987000  
1 1 1 16 41 1  o 9.242000 2.867000  -0.2671000     5.734000  
1 1 1 16 41 3  o 9.374000 2.864000  1.894000       5.728000  
1 1 1 16 41 5  o 16.55000 2.893000  4.638000       5.787000  
1 1 1 16 41 7  o 14.72000 3.285000  5.738000       6.570000  
1 1 1 16 41 9  o 11.43000 3.249000  0.9674000      6.498000  
1 1 1 16 41 11 f 20.94000 2.417000  4.120000       4.834000  
1 1 1 16 41 13 o 20.89000 2.381000  6.306000       4.762000  
1 1 1 16 42 0  o 6.456000 3.210000  0.000000       0.000000  
1 1 1 16 42 2  o 5.511000 1.928000  0.3243000      3.856000  
1 1 1 16 42 4  o 7.559000 2.377000  -1.178000      4.755000  
1 1 1 16 42 6  o 38.35000 2.313000  5.008000       4.626000  
1 1 1 16 42 8  o 41.53000 1.769000  2.864000       3.537000  
1 1 1 16 42 10 o 6.374000 2.211000  1.973000       4.422000  
1 1 1 16 43 1  o 9.940000 3.206000  2.090000       6.413000  
1 1 1 16 43 3  o 8.423000 2.860000  -3.122000      5.721000  
1 1 1 16 43 5  o 8.717000 2.792000  -0.7429000     5.585000  
1 1 1 17 0  1  o 21.28000 0.9617000 0.000000       0.000000  
1 1 1 17 0  3  o 48.95000 1.023000  0.000000       0.000000  
1 1 1 17 0  5  o 60.69000 1.212000  0.000000       0.000000  
1 1 1 17 0  7  o 38.84000 0.9776000 0.000000       0.000000  
1 1 1 17 0  9  o 43.34000 1.033000  0.000000       0.000000  
1 1 1 17 0  11 o 60.28000 1.412000  0.000000       0.000000  
1 1 1 17 0  13 o 92.24000 1.985000  0.000000       0.000000  
1 1 1 17 0  15 o 33.83000 1.053000  0.000000       0.000000  
1 1 1 17 0  17 o 37.59000 1.049000  0.000000       0.000000  
1 1 1 17 0  19 o 80.08000 1.524000  0.000000       0.000000  
1 1 1 17 0  21 o 31.23000 0.9698000 0.000000       0.000000  
1 1 1 17 0  23 o 95.66000 1.794000  0.000000       0.000000  
1 1 1 17 0  25 o 20.68000 1.191000  0.000000       0.000000  
1 1 1 17 0  27 o 12.57000 1.732000  0.000000       0.000000  
1 1 1 17 0  29 o 19.63000 1.343000  0.000000       0.000000  
1 1 1 17 0  31 o 81.50000 1.657000  0.000000       0.000000  
1 1 1 17 0  33 f 5.483000 2.348000  0.000000       0.000000  
1 1 1 17 0  35 o 4.384000 2.128000  0.000000       0.000000  
1 1 1 17 0  37 o 83.55000 1.984000  0.000000       0.000000  
1 1 1 17 0  39 o 29.01000 1.425000  0.000000       0.000000  
1 1 1 17 0  41 f 22.39000 1.518000  0.000000       0.000000  
1 1 1 17 0  43 o 27.91000 1.524000  0.000000       0.000000  
1 1 1 17 0  45 o 25.33000 2.554000  0.000000       0.000000  
1 1 1 17 1  0  o 43.44000 0.9541000 0.000000       0.000000  
1 1 1 17 1  2  o 89.08000 1.170000  -0.4688000E-01 2.340000  
1 1 1 17 1  4  o 150.7000 1.936000  -1.258000      3.871000  
1 1 1 17 1  6  o 36.55000 0.7339000 1.081000       1.468000  
1 1 1 17 1  8  o 31.61000 0.7086000 -0.5286000     1.417000  
1 1 1 17 1  10 o 64.65000 1.002000  0.2301000      2.005000  
1 1 1 17 1  12 o 73.08000 1.225000  -0.8918000     2.450000  
1 1 1 17 1  14 o 20.23000 0.8807000 -2.999000      1.761000  
1 1 1 17 1  16 o 74.98000 1.160000  -2.090000      2.321000  
1 1 1 17 1  18 o 53.84000 0.8322000 -2.555000      1.664000  
1 1 1 17 1  20 o 97.50000 1.280000  -0.4584000     2.560000  
1 1 1 17 1  22 o 23.11000 0.7553000 0.4188000      1.511000  
1 1 1 17 1  24 o 37.27000 0.7311000 -0.4283000     1.462000  
1 1 1 17 1  26 o 37.64000 0.8975000 -0.4204000     1.795000  
1 1 1 17 1  28 o 48.82000 0.8590000 -1.883000      1.718000  
1 1 1 17 1  30 o 49.59000 0.8729000 -0.6795000     1.746000  
1 1 1 17 1  32 f 19.52000 0.9374000 -3.261000      1.875000  
1 1 1 17 1  34 o 22.93000 0.9208000 -2.076000      1.842000  
1 1 1 17 1  36 o 32.40000 1.055000  2.167000       2.109000  
1 1 1 17 1  38 o 7.896000 2.018000  1.768000       4.036000  
1 1 1 17 1  40 o 9.463000 1.990000  0.6647000      3.980000  
1 1 1 17 1  42 o 9.636000 2.366000  1.274000       4.731000  
1 1 1 17 1  44 o 22.64000 1.091000  1.218000       2.181000  
1 1 1 17 2  1  o 42.08000 0.6716000 -0.9369000     1.343000  
1 1 1 17 2  3  o 64.42000 0.8861000 0.1253000      1.772000  
1 1 1 17 2  5  o 116.4000 1.509000  -0.1662000     3.019000  
1 1 1 17 2  7  o 80.92000 1.087000  1.933000       2.173000  
1 1 1 17 2  9  o 73.09000 1.241000  1.087000       2.483000  
1 1 1 17 2  11 o 98.90000 1.841000  -0.5478000E-01 3.681000  
1 1 1 17 2  13 o 41.67000 0.8710000 0.4190000      1.742000  
1 1 1 17 2  15 o 27.04000 0.7888000 0.4690000      1.578000  
1 1 1 17 2  17 f 33.33000 0.8133000 0.3445000      1.627000  
1 1 1 17 2  19 o 19.95000 0.7807000 -1.522000      1.561000  
1 1 1 17 2  21 o 32.51000 0.6654000 -0.4074000     1.331000  
1 1 1 17 2  23 o 75.51000 1.038000  -0.3255000     2.076000  
1 1 1 17 2  25 f 19.69000 0.8861000 0.8056000      1.772000  
1 1 1 17 2  27 o 49.09000 0.9696000 -0.3040000     1.939000  
1 1 1 17 2  29 o 76.12000 1.097000  -0.3112000     2.194000  
1 1 1 17 2  31 o 39.81000 0.7971000 -1.228000      1.594000  
1 1 1 17 2  33 o 24.84000 0.8236000 -1.551000      1.647000  
1 1 1 17 2  35 o 12.67000 1.756000  2.789000       3.513000  
1 1 1 17 2  37 o 62.32000 1.186000  1.213000       2.373000  
1 1 1 17 2  39 o 14.71000 1.913000  2.549000       3.826000  
1 1 1 17 2  41 o 22.40000 1.501000  -1.129000      3.003000  
1 1 1 17 2  43 o 23.71000 1.362000  1.230000       2.723000  
1 1 1 17 2  45 o 23.93000 1.629000  0.6846000      3.258000  
1 1 1 17 3  0  o 97.52000 1.803000  0.000000       0.000000  
1 1 1 17 3  2  o 101.2000 1.320000  -0.4875000     2.640000  
1 1 1 17 3  4  o 37.72000 0.7486000 -1.241000      1.497000  
1 1 1 17 3  6  o 60.00000 0.8572000 0.3833000E-01  1.714000  
1 1 1 17 3  8  o 65.80000 0.9621000 -0.8090000E-01 1.924000  
1 1 1 17 3  10 o 132.5000 2.103000  -1.475000      4.206000  
1 1 1 17 3  12 o 58.98000 1.063000  -3.736000      2.126000  
1 1 1 17 3  14 o 49.07000 1.210000  1.382000       2.419000  
1 1 1 17 3  16 o 26.02000 0.8452000 -4.989000      1.690000  
1 1 1 17 3  18 o 72.29000 1.059000  -1.022000      2.119000  
1 1 1 17 3  20 o 23.20000 0.7145000 1.252000       1.429000  
1 1 1 17 3  22 o 90.34000 1.201000  2.957000       2.402000  
1 1 1 17 3  24 o 40.13000 0.8155000 -1.962000      1.631000  
1 1 1 17 3  26 o 64.12000 0.9473000 0.4853000      1.895000  
1 1 1 17 3  28 o 40.63000 0.7926000 -0.5709000     1.585000  
1 1 1 17 3  30 o 39.51000 0.8090000 0.2409000      1.618000  
1 1 1 17 3  32 o 28.18000 0.9828000 -0.3337000     1.966000  
1 1 1 17 3  34 o 25.00000 1.181000  -1.155000      2.362000  
1 1 1 17 3  36 o 28.88000 1.807000  -3.672000      3.614000  
1 1 1 17 3  38 o 22.58000 1.373000  2.150000       2.747000  
1 1 1 17 3  40 o 25.30000 1.263000  2.639000       2.526000  
1 1 1 17 3  42 o 10.61000 2.235000  4.012000       4.470000  
1 1 1 17 3  44 o 13.69000 2.125000  6.438000       4.250000  
1 1 1 17 4  1  o 76.45000 1.027000  -0.2288000     2.054000  
1 1 1 17 4  3  o 119.6000 1.555000  -2.419000      3.110000  
1 1 1 17 4  5  o 92.79000 1.227000  -1.870000      2.454000  
1 1 1 17 4  7  o 48.33000 0.7987000 0.4820000      1.597000  
1 1 1 17 4  9  o 64.76000 0.9690000 -0.3821000     1.938000  
1 1 1 17 4  11 o 149.1000 2.343000  3.828000       4.685000  
1 1 1 17 4  13 o 96.99000 1.518000  -1.254000      3.036000  
1 1 1 17 4  15 o 5.291000 1.599000  -0.4825000     3.199000  
1 1 1 17 4  17 o 56.53000 0.9424000 -3.196000      1.885000  
1 1 1 17 4  19 o 27.37000 0.6874000 -0.8296000E-01 1.375000  
1 1 1 17 4  21 o 47.26000 0.7574000 2.370000       1.515000  
1 1 1 17 4  23 o 19.18000 0.8319000 0.4427000      1.664000  
1 1 1 17 4  25 o 43.52000 0.7668000 -0.9762000     1.534000  
1 1 1 17 4  27 o 24.95000 0.9273000 -1.009000      1.855000  
1 1 1 17 4  29 o 79.27000 1.210000  3.209000       2.419000  
1 1 1 17 4  31 o 30.27000 0.9203000 -1.129000      1.841000  
1 1 1 17 4  33 o 57.43000 1.057000  -0.2761000     2.114000  
1 1 1 17 4  35 o 30.91000 1.160000  3.747000       2.319000  
1 1 1 17 4  37 o 39.82000 1.257000  2.163000       2.514000  
1 1 1 17 4  39 o 27.75000 1.259000  -1.123000      2.519000  
1 1 1 17 4  41 o 21.30000 1.490000  0.8536000      2.980000  
1 1 1 17 4  43 o 7.977000 2.532000  -3.113000      5.064000  
1 1 1 17 4  45 o 16.87000 4.541000  6.213000       9.082000  
1 1 1 17 5  0  o 156.9000 2.846000  0.000000       0.000000  
1 1 1 17 5  2  o 28.75000 0.7044000 -0.6537000     1.409000  
1 1 1 17 5  4  o 55.40000 0.8520000 -0.4653000E-01 1.704000  
1 1 1 17 5  6  o 88.05000 1.214000  -0.6800000     2.429000  
1 1 1 17 5  8  o 12.28000 1.854000  0.1416000      3.708000  
1 1 1 17 5  10 o 37.72000 0.9481000 1.746000       1.896000  
1 1 1 17 5  12 o 80.94000 1.437000  -6.765000      2.873000  
1 1 1 17 5  14 f 54.80000 0.9670000 -1.061000      1.934000  
1 1 1 17 5  16 o 35.51000 0.6990000 -1.903000      1.398000  
1 1 1 17 5  18 o 60.35000 0.9238000 0.9477000      1.848000  
1 1 1 17 5  20 o 32.00000 0.6678000 -2.707000      1.336000  
1 1 1 17 5  22 o 54.92000 0.8351000 1.234000       1.670000  
1 1 1 17 5  24 o 20.83000 1.980000  -3.669000      3.959000  
1 1 1 17 5  26 o 32.79000 0.8617000 2.219000       1.723000  
1 1 1 17 5  28 o 34.38000 0.9090000 0.7557000      1.818000  
1 1 1 17 5  30 o 51.71000 0.9937000 0.5775000      1.987000  
1 1 1 17 5  32 o 16.49000 1.265000  -1.037000      2.531000  
1 1 1 17 5  34 o 13.40000 1.805000  1.759000       3.609000  
1 1 1 17 5  36 o 41.92000 1.177000  -1.829000      2.353000  
1 1 1 17 5  38 o 27.15000 1.356000  -1.997000      2.712000  
1 1 1 17 5  40 o 28.94000 1.302000  0.6619000      2.605000  
1 1 1 17 5  42 o 29.98000 1.162000  -1.007000      2.324000  
1 1 1 17 5  44 o 6.744000 2.083000  1.853000       4.165000  
1 1 1 17 6  1  o 90.55000 1.200000  0.4866000      2.401000  
1 1 1 17 6  3  o 59.06000 0.8917000 -1.525000      1.783000  
1 1 1 17 6  5  o 18.40000 1.049000  -1.127000      2.098000  
1 1 1 17 6  7  o 108.6000 1.701000  -3.945000      3.403000  
1 1 1 17 6  9  o 70.31000 1.219000  2.057000       2.438000  
1 1 1 17 6  11 o 95.06000 1.621000  2.473000       3.242000  
1 1 1 17 6  13 o 62.57000 1.369000  4.074000       2.739000  
1 1 1 17 6  15 f 39.91000 0.7276000 1.833000       1.455000  
1 1 1 17 6  17 o 52.97000 0.8365000 -0.2542000     1.673000  
1 1 1 17 6  19 f 24.38000 0.7154000 2.509000       1.431000  
1 1 1 17 6  21 f 66.87000 0.9940000 3.395000       1.988000  
1 1 1 17 6  23 o 83.99000 1.205000  3.779000       2.409000  
1 1 1 17 6  25 o 104.1000 1.502000  1.317000       3.004000  
1 1 1 17 6  27 o 26.43000 0.9495000 0.5048000      1.899000  
1 1 1 17 6  29 o 59.56000 1.263000  -2.563000      2.526000  
1 1 1 17 6  31 o 13.96000 1.344000  -0.3704000     2.688000  
1 1 1 17 6  33 o 32.86000 1.018000  -0.9630000     2.035000  
1 1 1 17 6  35 o 43.52000 1.335000  0.7317000      2.670000  
1 1 1 17 6  37 o 11.16000 2.363000  0.8630000      4.726000  
1 1 1 17 6  39 o 11.98000 2.170000  -0.2083000     4.339000  
1 1 1 17 6  41 o 21.81000 1.443000  1.321000       2.886000  
1 1 1 17 6  43 o 9.672000 2.209000  1.416000       4.417000  
1 1 1 17 6  45 o 9.657000 3.771000  ?              ?         
1 1 1 17 7  0  o 83.82000 1.600000  0.000000       0.000000  
1 1 1 17 7  2  o 51.28000 0.8306000 -0.9825000     1.661000  
1 1 1 17 7  4  o 23.98000 0.9409000 -0.1912000     1.882000  
1 1 1 17 7  6  o 39.99000 0.8249000 -0.1193000E-01 1.650000  
1 1 1 17 7  8  o 57.34000 1.437000  2.504000       2.875000  
1 1 1 17 7  10 o 74.20000 1.258000  3.075000       2.516000  
1 1 1 17 7  12 o 32.70000 1.132000  0.7429000      2.265000  
1 1 1 17 7  14 o 98.96000 1.604000  -5.171000      3.207000  
1 1 1 17 7  16 o 41.81000 0.8293000 4.274000       1.659000  
1 1 1 17 7  18 o 33.94000 0.6842000 -0.4873000     1.368000  
1 1 1 17 7  20 o 50.19000 0.8000000 1.105000       1.600000  
1 1 1 17 7  22 o 24.94000 0.9437000 -1.304000      1.887000  
1 1 1 17 7  24 o 27.83000 0.8968000 -1.001000      1.794000  
1 1 1 17 7  26 o 40.14000 0.8887000 1.164000       1.777000  
1 1 1 17 7  28 o 15.27000 1.386000  1.441000       2.772000  
1 1 1 17 7  30 o 53.67000 1.098000  2.992000       2.197000  
1 1 1 17 7  32 o 34.06000 1.020000  0.2084000      2.041000  
1 1 1 17 7  34 o 9.307000 2.259000  0.6215000      4.519000  
1 1 1 17 7  36 o 15.64000 2.562000  6.889000       5.123000  
1 1 1 17 7  38 o 13.91000 1.997000  -3.043000      3.993000  
1 1 1 17 7  40 o 8.315000 2.196000  -0.5780000     4.393000  
1 1 1 17 7  42 o 9.575000 2.123000  -1.720000      4.246000  
1 1 1 17 7  44 o 13.52000 2.360000  3.252000       4.720000  
1 1 1 17 8  1  o 5.108000 1.657000  -0.1068000     3.313000  
1 1 1 17 8  3  o 54.50000 0.8892000 -1.698000      1.778000  
1 1 1 17 8  5  o 31.73000 0.8618000 -0.7878000     1.724000  
1 1 1 17 8  7  o 82.31000 1.458000  -5.385000      2.916000  
1 1 1 17 8  9  o 29.80000 1.124000  2.803000       2.249000  
1 1 1 17 8  11 o 76.78000 1.682000  -6.612000      3.363000  
1 1 1 17 8  13 o 64.06000 1.157000  -1.840000      2.315000  
1 1 1 17 8  15 o 58.70000 0.9183000 -0.4874000     1.837000  
1 1 1 17 8  17 o 22.22000 0.9338000 1.416000       1.868000  
1 1 1 17 8  19 f 30.89000 0.7013000 1.344000       1.403000  
1 1 1 17 8  21 o 36.80000 0.7215000 -0.3312000     1.443000  
1 1 1 17 8  23 o 7.711000 1.788000  -4.110000      3.577000  
1 1 1 17 8  25 o 28.30000 0.8982000 -1.423000      1.796000  
1 1 1 17 8  27 o 41.20000 0.9297000 -0.5784000     1.859000  
1 1 1 17 8  29 o 53.85000 1.034000  -0.4061000     2.069000  
1 1 1 17 8  31 o 37.00000 0.9484000 0.7530000      1.897000  
1 1 1 17 8  33 o 11.76000 2.008000  0.2602000      4.016000  
1 1 1 17 8  35 o 27.90000 1.605000  -3.119000      3.210000  
1 1 1 17 8  37 f 18.90000 1.642000  1.454000       3.284000  
1 1 1 17 8  39 o 18.84000 2.853000  1.851000       5.707000  
1 1 1 17 8  41 o 29.23000 1.275000  0.9867000      2.550000  
1 1 1 17 8  43 o 14.68000 1.959000  3.704000       3.918000  
1 1 1 17 9  0  o 4.434000 2.158000  0.000000       0.000000  
1 1 1 17 9  2  o 84.38000 1.158000  -0.8515000     2.316000  
1 1 1 17 9  4  f 74.78000 1.142000  1.491000       2.283000  
1 1 1 17 9  6  o 131.3000 2.696000  1.767000       5.392000  
1 1 1 17 9  8  o 37.90000 1.045000  3.177000       2.090000  
1 1 1 17 9  10 o 46.29000 0.9047000 2.492000       1.809000  
1 1 1 17 9  12 o 37.36000 0.8934000 -0.2341000     1.787000  
1 1 1 17 9  14 o 40.95000 0.8881000 -1.740000      1.776000  
1 1 1 17 9  16 o 21.07000 0.8530000 -3.130000      1.706000  
1 1 1 17 9  18 o 62.44000 0.9099000 0.1282000      1.820000  
1 1 1 17 9  20 o 32.91000 0.7358000 -2.677000      1.472000  
1 1 1 17 9  22 o 67.25000 1.132000  1.401000       2.264000  
1 1 1 17 9  24 o 19.31000 1.131000  -1.703000      2.262000  
1 1 1 17 9  26 o 39.15000 0.8649000 0.6011000      1.730000  
1 1 1 17 9  28 o 25.90000 1.022000  0.3725000      2.044000  
1 1 1 17 9  30 o 52.55000 1.157000  -0.3805000     2.313000  
1 1 1 17 9  32 o 18.40000 1.304000  0.2389000      2.607000  
1 1 1 17 9  34 o 17.08000 2.079000  1.596000       4.157000  
1 1 1 17 9  36 o 41.37000 1.414000  -0.8932000E-01 2.829000  
1 1 1 17 9  38 o 29.63000 1.465000  0.2947000      2.930000  
1 1 1 17 9  40 o 29.74000 1.150000  0.2185000      2.300000  
1 1 1 17 9  42 o 22.66000 1.530000  -1.595000      3.060000  
1 1 1 17 9  44 o 29.74000 2.294000  2.512000       4.588000  
1 1 1 17 10 1  o 137.6000 1.940000  -3.694000      3.880000  
1 1 1 17 10 3  f 75.10000 1.151000  2.487000       2.303000  
1 1 1 17 10 5  o 102.8000 1.668000  -0.3014000     3.337000  
1 1 1 17 10 7  o 87.31000 1.534000  -4.158000      3.069000  
1 1 1 17 10 9  o 101.0000 1.378000  -0.1020000     2.756000  
1 1 1 17 10 11 o 38.10000 0.8440000 -0.9042000     1.688000  
1 1 1 17 10 13 o 83.58000 1.220000  -1.302000      2.441000  
1 1 1 17 10 15 o 33.26000 0.7779000 1.207000       1.556000  
1 1 1 17 10 17 o 43.44000 0.7694000 -0.5929000     1.539000  
1 1 1 17 10 19 o 64.73000 0.9468000 0.2269000      1.894000  
1 1 1 17 10 21 o 25.23000 0.7876000 -0.5291000     1.575000  
1 1 1 17 10 23 o 19.27000 1.067000  0.9831000      2.134000  
1 1 1 17 10 25 o 56.58000 1.082000  -2.493000      2.164000  
1 1 1 17 10 27 o 52.31000 1.183000  1.093000       2.365000  
1 1 1 17 10 29 o 6.916000 1.919000  2.537000       3.838000  
1 1 1 17 10 31 o 18.50000 1.346000  0.4307000      2.692000  
1 1 1 17 10 33 o 5.952000 1.935000  1.418000       3.871000  
1 1 1 17 10 35 o 40.66000 1.488000  2.625000       2.975000  
1 1 1 17 10 37 o 26.89000 1.326000  1.296000       2.652000  
1 1 1 17 10 39 o 19.43000 1.909000  0.7966000      3.819000  
1 1 1 17 10 41 o 18.95000 1.767000  0.6075000      3.535000  
1 1 1 17 10 43 o 11.48000 2.637000  1.162000       5.274000  
1 1 1 17 11 0  o 238.2000 4.987000  0.000000       0.000000  
1 1 1 17 11 2  o 68.77000 1.444000  5.389000       2.888000  
1 1 1 17 11 4  o 129.6000 1.953000  1.372000       3.906000  
1 1 1 17 11 6  o 92.51000 1.526000  2.418000       3.051000  
1 1 1 17 11 8  o 72.37000 1.182000  0.4320000      2.365000  
1 1 1 17 11 10 o 78.90000 1.242000  -1.234000      2.485000  
1 1 1 17 11 12 o 63.07000 0.9832000 1.160000       1.966000  
1 1 1 17 11 14 o 15.13000 1.053000  -0.8371000     2.105000  
1 1 1 17 11 16 o 26.56000 0.8267000 1.885000       1.653000  
1 1 1 17 11 18 o 63.28000 1.003000  2.014000       2.007000  
1 1 1 17 11 20 o 61.50000 0.9854000 2.420000       1.971000  
1 1 1 17 11 22 o 15.76000 1.441000  0.8980000      2.882000  
1 1 1 17 11 24 f 22.40000 1.091000  2.220000       2.183000  
1 1 1 17 11 26 o 40.31000 1.046000  0.5584000      2.093000  
1 1 1 17 11 28 o 38.84000 0.9864000 -0.6796000     1.973000  
1 1 1 17 11 30 o 11.26000 1.804000  -1.215000      3.609000  
1 1 1 17 11 32 o 15.56000 1.705000  0.8396000      3.410000  
1 1 1 17 11 34 o 58.38000 1.509000  2.267000       3.017000  
1 1 1 17 11 36 o 46.39000 1.403000  0.6608000E-01  2.805000  
1 1 1 17 11 38 o 63.12000 1.500000  -2.695000      3.000000  
1 1 1 17 11 40 o 20.44000 1.998000  1.214000       3.996000  
1 1 1 17 11 42 f 30.46000 1.502000  0.7357000E-01  3.004000  
1 1 1 17 11 44 o 16.27000 4.466000  ?              ?         
1 1 1 17 12 1  f 99.06000 1.543000  -0.1143000     3.086000  
1 1 1 17 12 3  o 25.14000 1.121000  -0.6048000     2.243000  
1 1 1 17 12 5  o 46.24000 1.355000  -1.675000      2.711000  
1 1 1 17 12 7  o 44.35000 1.015000  -0.1294000     2.030000  
1 1 1 17 12 9  o 62.43000 1.184000  -1.402000      2.369000  
1 1 1 17 12 11 o 45.43000 0.8962000 -0.5974000     1.792000  
1 1 1 17 12 13 o 59.05000 0.9336000 3.192000       1.867000  
1 1 1 17 12 15 o 55.99000 0.9823000 2.792000       1.965000  
1 1 1 17 12 17 o 28.67000 0.8500000 1.868000       1.700000  
1 1 1 17 12 19 o 32.95000 0.8256000 0.1956000      1.651000  
1 1 1 17 12 21 o 35.22000 1.030000  0.1248000      2.059000  
1 1 1 17 12 23 o 7.592000 1.986000  1.021000       3.972000  
1 1 1 17 12 25 o 49.82000 0.9107000 0.5370000      1.821000  
1 1 1 17 12 27 o 48.02000 1.111000  -1.602000      2.222000  
1 1 1 17 12 29 o 24.34000 0.9846000 1.141000       1.969000  
1 1 1 17 12 31 o 16.98000 1.421000  5.034000       2.843000  
1 1 1 17 12 33 o 26.47000 1.660000  3.891000       3.321000  
1 1 1 17 12 35 o 33.84000 1.550000  -5.397000      3.101000  
1 1 1 17 12 37 o 25.53000 1.603000  1.594000       3.207000  
1 1 1 17 12 39 o 31.84000 1.358000  -1.343000      2.715000  
1 1 1 17 12 41 o 13.96000 2.453000  -3.858000      4.906000  
1 1 1 17 12 43 o 27.10000 2.870000  0.3490000      5.740000  
1 1 1 17 13 0  o 73.61000 1.687000  0.000000       0.000000  
1 1 1 17 13 2  o 84.39000 1.241000  -2.630000      2.483000  
1 1 1 17 13 4  o 92.69000 1.739000  4.516000       3.477000  
1 1 1 17 13 6  o 118.5000 1.671000  -3.197000      3.342000  
1 1 1 17 13 8  o 47.30000 0.9284000 1.181000       1.857000  
1 1 1 17 13 10 o 17.97000 1.117000  -0.8372000     2.234000  
1 1 1 17 13 12 o 24.27000 0.8771000 -1.236000      1.754000  
1 1 1 17 13 14 o 49.46000 0.9870000 1.660000       1.974000  
1 1 1 17 13 16 o 38.89000 0.8523000 1.006000       1.705000  
1 1 1 17 13 18 o 67.26000 1.134000  -0.2206000     2.269000  
1 1 1 17 13 20 o 80.24000 1.533000  -0.7734000     3.066000  
1 1 1 17 13 22 o 56.90000 0.9878000 1.342000       1.976000  
1 1 1 17 13 24 o 80.45000 1.606000  0.6338000      3.212000  
1 1 1 17 13 26 o 53.90000 1.013000  2.836000       2.025000  
1 1 1 17 13 28 o 22.24000 1.016000  2.201000       2.031000  
1 1 1 17 13 30 o 7.067000 1.954000  1.047000       3.907000  
1 1 1 17 13 32 o 17.51000 2.113000  5.224000       4.226000  
1 1 1 17 13 34 o 13.78000 3.679000  -10.61000      7.357000  
1 1 1 17 13 36 o 8.609000 2.335000  1.610000       4.669000  
1 1 1 17 13 38 o 22.00000 1.467000  0.3466000      2.934000  
1 1 1 17 13 40 o 19.41000 2.014000  -0.3282000     4.029000  
1 1 1 17 13 42 o 8.341000 2.372000  2.164000       4.744000  
1 1 1 17 14 1  o 59.75000 1.027000  0.2592000      2.054000  
1 1 1 17 14 3  o 80.24000 1.872000  -0.4305000     3.744000  
1 1 1 17 14 5  o 55.80000 1.129000  -3.587000      2.259000  
1 1 1 17 14 7  o 76.21000 1.304000  4.003000       2.609000  
1 1 1 17 14 9  o 41.65000 0.9353000 -4.510000      1.871000  
1 1 1 17 14 11 o 67.44000 1.157000  0.6045000E-01  2.313000  
1 1 1 17 14 13 o 51.61000 1.070000  -3.792000      2.140000  
1 1 1 17 14 15 o 72.07000 1.543000  5.879000       3.086000  
1 1 1 17 14 17 o 83.32000 1.499000  -0.1047000     2.998000  
1 1 1 17 14 19 f 58.69000 1.137000  2.783000       2.274000  
1 1 1 17 14 21 o 41.76000 0.8229000 0.1293000E-01  1.646000  
1 1 1 17 14 23 o 49.26000 1.054000  1.693000       2.107000  
1 1 1 17 14 25 o 36.83000 0.8096000 -0.3446000     1.619000  
1 1 1 17 14 27 o 46.65000 1.051000  -0.5388000     2.102000  
1 1 1 17 14 29 f 7.915000 1.905000  -0.7257000     3.811000  
1 1 1 17 14 31 o 30.02000 1.119000  -1.312000      2.237000  
1 1 1 17 14 33 o 54.90000 1.763000  0.3013000      3.527000  
1 1 1 17 14 35 o 31.19000 1.306000  1.632000       2.612000  
1 1 1 17 14 37 o 7.593000 2.216000  -1.347000      4.433000  
1 1 1 17 14 39 o 34.67000 1.262000  0.8846000      2.525000  
1 1 1 17 14 41 o 10.25000 2.482000  2.900000       4.963000  
1 1 1 17 14 43 o 20.26000 3.674000  ?              ?         
1 1 1 17 15 0  o 25.50000 1.153000  0.000000       0.000000  
1 1 1 17 15 2  o 55.49000 1.281000  -0.7233000     2.561000  
1 1 1 17 15 4  o 24.43000 2.214000  -2.666000      4.427000  
1 1 1 17 15 6  o 100.0000 1.626000  -2.101000      3.251000  
1 1 1 17 15 8  o 40.31000 0.9976000 2.179000       1.995000  
1 1 1 17 15 10 o 73.76000 1.115000  -2.413000      2.230000  
1 1 1 17 15 12 o 59.31000 1.046000  -0.5005000     2.092000  
1 1 1 17 15 14 o 29.71000 0.9693000 -4.320000      1.939000  
1 1 1 17 15 16 o 25.50000 1.058000  -0.3064000E-01 2.116000  
1 1 1 17 15 18 o 38.09000 1.041000  2.744000       2.083000  
1 1 1 17 15 20 o 47.70000 1.027000  1.096000       2.054000  
1 1 1 17 15 22 o 24.74000 0.9691000 -1.220000      1.938000  
1 1 1 17 15 24 o 31.35000 0.9992000 -0.7719000     1.998000  
1 1 1 17 15 26 o 52.79000 0.9918000 -3.882000      1.984000  
1 1 1 17 15 28 o 34.63000 0.8480000 1.270000       1.696000  
1 1 1 17 15 30 o 20.17000 1.238000  4.275000       2.476000  
1 1 1 17 15 32 o 65.50000 1.521000  3.501000       3.042000  
1 1 1 17 15 34 o 8.620000 2.343000  3.305000       4.687000  
1 1 1 17 15 36 o 29.56000 1.289000  4.362000       2.578000  
1 1 1 17 15 38 o 45.09000 1.203000  6.333000       2.406000  
1 1 1 17 15 40 o 11.05000 2.410000  1.568000       4.821000  
1 1 1 17 15 42 o 42.57000 1.883000  -2.836000      3.765000  
1 1 1 17 16 1  o 47.25000 0.9926000 -0.5080000E-01 1.985000  
1 1 1 17 16 3  o 42.99000 1.104000  0.2206000      2.207000  
1 1 1 17 16 5  o 25.02000 1.023000  2.457000       2.047000  
1 1 1 17 16 7  o 19.08000 1.172000  0.2717000      2.344000  
1 1 1 17 16 9  o 30.54000 1.095000  -0.7406000     2.190000  
1 1 1 17 16 11 o 38.76000 1.110000  -3.466000      2.221000  
1 1 1 17 16 13 o 55.57000 1.029000  -3.572000      2.057000  
1 1 1 17 16 15 o 56.65000 1.051000  -2.648000      2.102000  
1 1 1 17 16 17 o 39.69000 1.076000  1.818000       2.152000  
1 1 1 17 16 19 o 56.23000 1.193000  -3.064000      2.385000  
1 1 1 17 16 21 o 22.66000 1.084000  1.287000       2.168000  
1 1 1 17 16 23 o 35.02000 0.9864000 0.4487000      1.973000  
1 1 1 17 16 25 o 16.80000 3.651000  3.897000       7.301000  
1 1 1 17 16 27 o 8.677000 2.027000  -1.089000      4.054000  
1 1 1 17 16 29 o 22.71000 1.008000  -2.308000      2.016000  
1 1 1 17 16 31 o 42.24000 1.568000  -0.1092000     3.137000  
1 1 1 17 16 33 o 43.13000 1.590000  3.555000       3.180000  
1 1 1 17 16 35 o 7.959000 2.190000  1.917000       4.380000  
1 1 1 17 16 37 o 8.783000 2.292000  0.8902000      4.583000  
1 1 1 17 16 39 o 13.74000 2.313000  1.813000       4.626000  
1 1 1 17 16 41 o 10.50000 2.614000  1.076000       5.228000  
1 1 1 17 17 0  o 65.31000 1.539000  0.000000       0.000000  
1 1 1 17 17 2  o 96.86000 1.710000  2.336000       3.421000  
1 1 1 17 17 4  o 51.00000 1.073000  -0.8062000     2.147000  
1 1 1 17 17 6  o 58.12000 1.061000  -3.582000      2.123000  
1 1 1 17 17 8  o 20.87000 1.528000  -3.097000      3.056000  
1 1 1 17 17 10 o 46.37000 0.9944000 -3.322000      1.989000  
1 1 1 17 17 12 o 26.46000 1.180000  -5.543000      2.361000  
1 1 1 17 17 14 o 70.79000 1.195000  -2.237000      2.391000  
1 1 1 17 17 16 o 62.43000 1.100000  -0.8716000     2.199000  
1 1 1 17 17 18 o 26.45000 1.020000  0.7170000      2.039000  
1 1 1 17 17 20 o 35.20000 0.9664000 0.6878000      1.933000  
1 1 1 17 17 22 o 40.04000 1.006000  0.2750000      2.011000  
1 1 1 17 17 24 o 37.44000 2.938000  -6.860000      5.875000  
1 1 1 17 17 26 o 41.67000 1.001000  1.004000       2.002000  
1 1 1 17 17 28 o 26.15000 0.9939000 3.767000       1.988000  
1 1 1 17 17 30 o 9.819000 2.168000  -3.423000      4.336000  
1 1 1 17 17 32 o 38.89000 1.435000  ?              ?         
1 1 1 17 17 34 o 23.34000 3.847000  -4.948000      7.694000  
1 1 1 17 17 36 o 22.91000 1.524000  2.018000       3.047000  
1 1 1 17 17 38 o 28.87000 1.240000  0.8188000      2.480000  
1 1 1 17 17 40 o 10.12000 2.459000  -5.560000      4.919000  
1 1 1 17 18 1  o 97.90000 2.084000  -4.756000      4.167000  
1 1 1 17 18 3  o 51.16000 1.022000  -1.607000      2.045000  
1 1 1 17 18 5  o 10.13000 1.984000  -4.754000      3.969000  
1 1 1 17 18 7  o 40.19000 1.007000  2.465000       2.014000  
1 1 1 17 18 9  o 20.25000 1.500000  -1.015000      3.000000  
1 1 1 17 18 11 o 60.51000 1.104000  0.4500000      2.207000  
1 1 1 17 18 13 o 30.17000 1.113000  0.2089000      2.227000  
1 1 1 17 18 15 o 34.05000 1.060000  0.1578000      2.120000  
1 1 1 17 18 17 o 87.40000 1.334000  2.568000       2.667000  
1 1 1 17 18 19 o 106.6000 1.536000  -0.3025000     3.073000  
1 1 1 17 18 21 o 41.20000 1.013000  -2.231000      2.027000  
1 1 1 17 18 23 o 41.74000 1.044000  0.2159000E-01  2.087000  
1 1 1 17 18 25 o 34.65000 3.976000  0.1972000      7.952000  
1 1 1 17 18 27 o 21.53000 1.114000  -2.359000      2.229000  
1 1 1 17 18 29 o 51.38000 1.198000  -4.143000      2.397000  
1 1 1 17 18 31 o 30.53000 1.421000  -0.7672000     2.841000  
1 1 1 17 18 33 o 20.93000 3.918000  -0.8558000     7.836000  
1 1 1 17 18 35 o 51.85000 2.189000  -5.380000      4.378000  
1 1 1 17 18 37 o 51.15000 2.101000  -7.297000      4.203000  
1 1 1 17 18 39 o 8.169000 2.482000  0.4239000      4.964000  
1 1 1 17 18 41 o 17.85000 2.992000  -4.855000      5.985000  
1 1 1 17 19 0  o 81.79000 1.928000  0.000000       0.000000  
1 1 1 17 19 2  o 58.15000 1.170000  -2.551000      2.339000  
1 1 1 17 19 4  o 49.70000 1.090000  2.020000       2.180000  
1 1 1 17 19 6  o 36.68000 1.109000  -2.768000      2.218000  
1 1 1 17 19 8  o 83.34000 1.239000  -2.770000      2.478000  
1 1 1 17 19 10 o 17.93000 1.713000  0.3345000      3.427000  
1 1 1 17 19 12 o 14.10000 2.062000  0.3512000      4.123000  
1 1 1 17 19 14 o 29.86000 1.150000  -4.989000      2.299000  
1 1 1 17 19 16 o 37.26000 1.057000  -3.482000      2.114000  
1 1 1 17 19 18 o 16.68000 1.629000  -1.074000      3.257000  
1 1 1 17 19 20 o 11.18000 2.121000  -0.5459000     4.242000  
1 1 1 17 19 22 o 18.42000 1.335000  1.856000       2.670000  
1 1 1 17 19 24 o 35.58000 1.067000  3.383000       2.133000  
1 1 1 17 19 26 o 23.75000 3.601000  -3.796000      7.202000  
1 1 1 17 19 28 o 52.44000 1.353000  3.955000       2.705000  
1 1 1 17 19 30 o 70.11000 1.202000  0.8336000      2.405000  
1 1 1 17 19 32 o 41.18000 3.142000  -2.051000      6.284000  
1 1 1 17 19 34 o 13.91000 4.403000  11.37000       8.806000  
1 1 1 17 19 36 o 38.80000 2.844000  -10.18000      5.689000  
1 1 1 17 19 38 o 18.09000 2.340000  -12.14000      4.679000  
1 1 1 17 19 40 o 25.91000 2.023000  -4.421000      4.046000  
1 1 1 17 20 1  o 65.67000 1.215000  -0.6368000     2.430000  
1 1 1 17 20 3  o 64.87000 1.095000  -0.6842000     2.190000  
1 1 1 17 20 5  o 29.42000 1.181000  3.615000       2.362000  
1 1 1 17 20 7  o 57.95000 1.073000  -3.455000      2.146000  
1 1 1 17 20 9  o 57.37000 1.481000  -3.266000      2.961000  
1 1 1 17 20 11 o 78.32000 1.216000  0.7161000      2.432000  
1 1 1 17 20 13 o 13.27000 2.023000  -5.161000      4.047000  
1 1 1 17 20 15 o 18.89000 1.625000  -5.320000      3.250000  
1 1 1 17 20 17 o 45.89000 1.418000  1.361000       2.836000  
1 1 1 17 20 19 o 41.94000 1.075000  -2.527000      2.150000  
1 1 1 17 20 21 o 27.57000 1.136000  -1.610000      2.272000  
1 1 1 17 20 23 f 36.36000 1.044000  1.211000       2.089000  
1 1 1 17 20 25 o 26.44000 1.094000  -0.7861000     2.188000  
1 1 1 17 20 27 o 13.63000 3.653000  4.502000       7.306000  
1 1 1 17 20 29 o 21.03000 2.165000  -1.617000      4.329000  
1 1 1 17 20 31 o 29.42000 1.205000  2.870000       2.411000  
1 1 1 17 20 33 o 15.51000 3.933000  6.421000       7.866000  
1 1 1 17 20 35 o 19.01000 3.307000  -7.708000      6.614000  
1 1 1 17 20 37 o 14.91000 3.440000  0.1132000      6.880000  
1 1 1 17 20 39 o 7.255000 2.370000  1.675000       4.739000  
1 1 1 17 21 0  o 37.19000 1.930000  0.000000       0.000000  
1 1 1 17 21 2  o 62.71000 1.161000  -2.078000      2.322000  
1 1 1 17 21 4  o 20.22000 1.667000  4.302000       3.333000  
1 1 1 17 21 6  o 93.16000 1.410000  -3.033000      2.819000  
1 1 1 17 21 8  o 67.88000 1.163000  1.674000       2.326000  
1 1 1 17 21 10 o 50.85000 1.059000  -0.1278000     2.118000  
1 1 1 17 21 12 o 47.06000 1.070000  -0.4385000     2.139000  
1 1 1 17 21 14 o 47.35000 1.068000  0.8411000      2.137000  
1 1 1 17 21 16 o 32.94000 1.238000  0.1581000      2.476000  
1 1 1 17 21 18 o 32.56000 1.173000  -1.891000      2.346000  
1 1 1 17 21 20 f 9.218000 2.266000  1.763000       4.531000  
1 1 1 17 21 22 o 11.80000 2.099000  -1.045000      4.197000  
1 1 1 17 21 24 f 9.934000 2.201000  0.7968000      4.402000  
1 1 1 17 21 26 o 21.01000 1.465000  -1.135000      2.931000  
1 1 1 17 21 28 o 34.34000 1.549000  3.642000       3.098000  
1 1 1 17 21 30 o 47.34000 1.218000  -4.161000      2.436000  
1 1 1 17 21 32 o 14.66000 1.707000  0.1240000      3.414000  
1 1 1 17 21 34 o 38.25000 2.628000  -6.093000      5.255000  
1 1 1 17 21 36 o 12.47000 3.639000  6.391000       7.279000  
1 1 1 17 21 38 o 8.453000 2.533000  -1.033000      5.065000  
1 1 1 17 22 1  o 26.99000 1.392000  1.169000       2.783000  
1 1 1 17 22 3  o 55.34000 1.127000  0.7717000      2.253000  
1 1 1 17 22 5  o 55.35000 1.141000  3.742000       2.283000  
1 1 1 17 22 7  o 23.01000 1.492000  1.707000       2.983000  
1 1 1 17 22 9  o 18.52000 2.037000  -4.850000      4.074000  
1 1 1 17 22 11 o 36.85000 1.156000  2.937000       2.313000  
1 1 1 17 22 13 o 47.76000 1.108000  -2.525000      2.216000  
1 1 1 17 22 15 o 24.12000 1.404000  0.8797000      2.808000  
1 1 1 17 22 17 o 44.01000 1.123000  0.5857000      2.247000  
1 1 1 17 22 19 o 39.82000 1.162000  -1.990000      2.325000  
1 1 1 17 22 21 o 8.685000 2.305000  2.740000       4.610000  
1 1 1 17 22 23 o 18.96000 1.534000  0.8259000      3.069000  
1 1 1 17 22 25 o 28.94000 1.248000  -0.2060000     2.497000  
1 1 1 17 22 27 o 51.42000 2.399000  4.026000       4.798000  
1 1 1 17 22 29 o 40.02000 1.253000  -1.327000      2.506000  
1 1 1 17 22 31 o 56.67000 1.210000  -3.146000      2.421000  
1 1 1 17 22 33 o 12.42000 1.892000  0.2122000E-01  3.785000  
1 1 1 17 22 35 o 20.02000 3.494000  -0.4615000E-01 6.987000  
1 1 1 17 22 37 o 22.92000 3.918000  -3.751000      7.836000  
1 1 1 17 22 39 o 8.125000 3.449000  ?              ?         
1 1 1 17 23 0  o 61.26000 1.512000  0.000000       0.000000  
1 1 1 17 23 2  o 86.68000 1.255000  -0.5574000     2.510000  
1 1 1 17 23 4  o 55.93000 1.225000  -3.958000      2.451000  
1 1 1 17 23 6  o 45.73000 1.042000  -0.1097000     2.084000  
1 1 1 17 23 8  o 22.61000 1.588000  -2.865000      3.176000  
1 1 1 17 23 10 o 37.14000 1.177000  0.6644000      2.354000  
1 1 1 17 23 12 o 18.34000 1.997000  -4.907000      3.994000  
1 1 1 17 23 14 o 12.65000 2.510000  4.862000       5.020000  
1 1 1 17 23 16 o 19.44000 1.665000  -0.5195000     3.330000  
1 1 1 17 23 18 o 10.62000 2.248000  -1.334000      4.495000  
1 1 1 17 23 20 o 44.15000 1.256000  0.3264000      2.512000  
1 1 1 17 23 22 o 16.90000 1.932000  0.7784000      3.864000  
1 1 1 17 23 24 o 51.05000 1.246000  -0.2563000     2.492000  
1 1 1 17 23 26 o 30.38000 1.563000  -5.045000      3.126000  
1 1 1 17 23 28 o 30.30000 3.799000  -4.171000      7.598000  
1 1 1 17 23 30 o 16.14000 1.813000  -1.746000      3.626000  
1 1 1 17 23 32 o 26.63000 1.245000  -0.9506000     2.491000  
1 1 1 17 23 34 o 19.04000 1.411000  -0.3538000     2.822000  
1 1 1 17 23 36 o 28.93000 1.801000  ?              ?         
1 1 1 17 23 38 o 15.62000 3.310000  ?              ?         
1 1 1 17 24 1  f 28.58000 2.103000  2.484000       4.206000  
1 1 1 17 24 3  o 39.29000 1.115000  -1.986000      2.230000  
1 1 1 17 24 5  o 37.44000 1.231000  -0.5062000     2.462000  
1 1 1 17 24 7  o 54.61000 1.161000  0.9731000      2.322000  
1 1 1 17 24 9  o 15.44000 2.277000  0.8809000      4.554000  
1 1 1 17 24 11 o 65.01000 1.246000  -1.269000      2.491000  
1 1 1 17 24 13 f 11.65000 2.522000  1.566000       5.044000  
1 1 1 17 24 15 o 29.31000 1.730000  0.3026000      3.459000  
1 1 1 17 24 17 o 33.55000 1.386000  -1.868000      2.773000  
1 1 1 17 24 19 o 28.46000 1.246000  -3.213000      2.492000  
1 1 1 17 24 21 o 30.85000 1.311000  -1.353000      2.622000  
1 1 1 17 24 23 o 66.68000 1.511000  -1.039000      3.022000  
1 1 1 17 24 25 o 23.27000 2.167000  1.723000       4.334000  
1 1 1 17 24 27 f 11.24000 2.618000  -1.669000      5.235000  
1 1 1 17 24 29 o 17.85000 3.587000  -2.972000      7.175000  
1 1 1 17 24 31 o 23.63000 3.318000  -2.064000      6.636000  
1 1 1 17 24 33 o 10.66000 2.129000  -1.761000      4.258000  
1 1 1 17 24 35 o 5.758000 1.821000  1.366000       3.643000  
1 1 1 17 24 37 o 24.88000 1.922000  -0.8251000     3.844000  
1 1 1 17 25 0  o 12.09000 3.631000  0.000000       0.000000  
1 1 1 17 25 2  o 46.80000 1.349000  1.470000       2.698000  
1 1 1 17 25 4  o 50.80000 1.084000  -0.2505000     2.168000  
1 1 1 17 25 6  o 32.36000 1.565000  -2.530000      3.129000  
1 1 1 17 25 8  o 11.68000 2.821000  1.084000       5.641000  
1 1 1 17 25 10 o 56.92000 1.188000  0.5279000      2.376000  
1 1 1 17 25 12 o 15.12000 2.391000  -2.701000      4.782000  
1 1 1 17 25 14 o 24.75000 1.629000  2.233000       3.258000  
1 1 1 17 25 16 f 45.26000 1.290000  -0.4014000     2.579000  
1 1 1 17 25 18 o 23.24000 1.568000  4.695000       3.135000  
1 1 1 17 25 20 o 8.334000 2.376000  0.8749000      4.753000  
1 1 1 17 25 22 o 21.57000 2.021000  -0.9732000     4.041000  
1 1 1 17 25 24 o 62.94000 3.075000  -5.189000      6.150000  
1 1 1 17 25 26 o 22.41000 1.900000  -5.286000      3.799000  
1 1 1 17 25 28 o 21.87000 1.608000  0.1762000      3.216000  
1 1 1 17 25 30 o 33.51000 3.295000  -6.937000      6.589000  
1 1 1 17 25 32 o 36.32000 1.139000  -2.450000      2.277000  
1 1 1 17 25 34 f 13.22000 1.999000  6.896000       3.999000  
1 1 1 17 25 36 o 32.92000 0.8892000 -0.4060000     1.778000  
1 1 1 17 26 1  o 40.14000 1.186000  1.143000       2.373000  
1 1 1 17 26 3  o 44.69000 1.363000  1.990000       2.726000  
1 1 1 17 26 5  o 51.53000 1.153000  0.7501000      2.306000  
1 1 1 17 26 7  o 26.00000 1.508000  0.9639000      3.015000  
1 1 1 17 26 9  o 76.68000 1.354000  -0.8798000     2.709000  
1 1 1 17 26 11 o 49.94000 1.180000  1.516000       2.359000  
1 1 1 17 26 13 o 44.68000 1.265000  6.993000       2.529000  
1 1 1 17 26 15 o 62.33000 1.450000  4.658000       2.900000  
1 1 1 17 26 17 o 49.62000 1.339000  -2.751000      2.678000  
1 1 1 17 26 19 o 28.47000 1.563000  3.990000       3.126000  
1 1 1 17 26 21 o 31.87000 1.591000  -1.969000      3.183000  
1 1 1 17 26 23 o 66.42000 2.085000  ?              ?         
1 1 1 17 26 25 o 21.66000 2.208000  4.888000       4.416000  
1 1 1 17 26 27 o 47.19000 1.255000  -1.608000      2.509000  
1 1 1 17 26 29 o 18.87000 1.765000  1.500000       3.531000  
1 1 1 17 26 31 o 17.06000 3.204000  -5.693000      6.408000  
1 1 1 17 26 33 o 33.38000 1.211000  -3.289000      2.422000  
1 1 1 17 26 35 o 32.39000 1.208000  2.720000       2.416000  
1 1 1 17 27 0  o 110.7000 2.158000  0.000000       0.000000  
1 1 1 17 27 2  o 64.32000 1.162000  -2.386000      2.324000  
1 1 1 17 27 4  o 21.98000 1.958000  -3.204000      3.915000  
1 1 1 17 27 6  o 29.48000 1.432000  -0.8463000     2.864000  
1 1 1 17 27 8  o 34.09000 1.374000  0.6108000      2.747000  
1 1 1 17 27 10 o 62.05000 1.314000  -0.5742000     2.628000  
1 1 1 17 27 12 o 68.30000 1.489000  -0.3199000     2.978000  
1 1 1 17 27 14 o 44.75000 1.479000  1.121000       2.959000  
1 1 1 17 27 16 o 32.35000 1.575000  1.321000       3.149000  
1 1 1 17 27 18 o 61.44000 1.480000  1.468000       2.961000  
1 1 1 17 27 20 o 31.82000 1.954000  0.3201000      3.909000  
1 1 1 17 27 22 o 29.78000 2.373000  -3.087000      4.747000  
1 1 1 17 27 24 o 18.58000 2.183000  -0.1894000     4.365000  
1 1 1 17 27 26 f 12.56000 2.645000  2.506000       5.290000  
1 1 1 17 27 28 o 22.81000 4.423000  -4.751000      8.846000  
1 1 1 17 27 30 o 7.291000 2.252000  -0.1388000     4.504000  
1 1 1 17 27 32 o 12.45000 2.468000  -4.978000      4.936000  
1 1 1 17 27 34 o 14.07000 2.364000  8.012000       4.728000  
1 1 1 17 28 1  o 11.66000 2.848000  2.255000       5.696000  
1 1 1 17 28 3  o 21.97000 1.941000  0.8441000      3.881000  
1 1 1 17 28 5  o 18.86000 2.324000  2.895000       4.647000  
1 1 1 17 28 7  o 19.34000 2.627000  1.190000       5.253000  
1 1 1 17 28 9  o 86.32000 1.480000  2.022000       2.961000  
1 1 1 17 28 11 o 69.94000 1.669000  1.107000       3.337000  
1 1 1 17 28 13 o 49.62000 2.553000  -0.9265000     5.105000  
1 1 1 17 28 15 o 49.90000 1.403000  -3.293000      2.805000  
1 1 1 17 28 17 o 48.46000 1.513000  2.310000       3.026000  
1 1 1 17 28 21 o 18.83000 4.415000  13.19000       8.830000  
1 1 1 17 28 23 o 13.78000 2.737000  -1.860000      5.474000  
1 1 1 17 28 25 o 21.49000 1.977000  -1.025000      3.955000  
1 1 1 17 28 27 o 43.02000 1.356000  -0.6758000     2.712000  
1 1 1 17 28 29 o 14.62000 4.149000  3.493000       8.298000  
1 1 1 17 28 31 o 16.59000 2.134000  1.740000       4.267000  
1 1 1 17 28 33 o 7.757000 2.483000  0.4023000      4.966000  
1 1 1 17 29 0  o 21.06000 4.374000  0.000000       0.000000  
1 1 1 17 29 2  o 15.08000 3.113000  -2.051000      6.226000  
1 1 1 17 29 4  o 27.45000 2.921000  -4.426000      5.842000  
1 1 1 17 29 6  o 10.79000 3.080000  -2.182000      6.159000  
1 1 1 17 29 8  o 26.54000 1.844000  0.4161000      3.689000  
1 1 1 17 29 10 o 10.43000 2.943000  -1.829000      5.886000  
1 1 1 17 29 12 o 12.55000 2.802000  -5.956000      5.603000  
1 1 1 17 29 14 o 29.33000 2.164000  2.321000       4.327000  
1 1 1 17 29 16 o 30.31000 1.949000  -2.982000      3.898000  
1 1 1 17 29 18 o 55.64000 1.880000  2.672000       3.760000  
1 1 1 17 29 22 o 14.81000 2.933000  5.214000       5.866000  
1 1 1 17 29 24 o 10.49000 3.131000  2.080000       6.263000  
1 1 1 17 29 26 o 38.17000 1.780000  -9.715000      3.561000  
1 1 1 17 29 28 o 11.60000 3.164000  -0.5550000     6.328000  
1 1 1 17 29 30 o 17.25000 2.417000  -0.1591000E-01 4.833000  
1 1 1 17 29 32 f 22.08000 1.646000  -3.951000      3.292000  
1 1 1 17 30 1  f 11.14000 3.198000  4.520000       6.396000  
1 1 1 17 30 3  o 9.891000 3.046000  2.683000       6.091000  
1 1 1 17 30 5  o 55.46000 1.869000  -4.228000      3.737000  
1 1 1 17 30 7  o 52.33000 1.747000  -4.182000      3.493000  
1 1 1 17 30 9  o 13.46000 3.476000  1.145000       6.952000  
1 1 1 17 30 11 f 21.03000 3.510000  6.461000       7.021000  
1 1 1 17 30 13 o 26.43000 2.710000  2.754000       5.421000  
1 1 1 17 30 15 o 11.12000 4.939000  ?              ?         
1 1 1 17 30 17 o 39.13000 2.034000  -1.825000      4.069000  
1 1 1 17 30 19 f 7.522000 2.486000  1.899000       4.973000  
1 1 1 17 30 21 o 13.70000 3.739000  2.627000       7.478000  
1 1 1 17 30 23 o 20.44000 3.089000  2.105000       6.177000  
1 1 1 17 30 25 o 29.40000 2.211000  -5.707000      4.423000  
1 1 1 17 30 27 o 10.44000 2.792000  0.4672000      5.584000  
1 1 1 17 30 29 o 22.97000 2.293000  -4.810000      4.585000  
1 1 1 17 30 31 o 19.22000 2.061000  3.454000       4.122000  
1 1 1 17 31 0  o 13.23000 4.483000  0.000000       0.000000  
1 1 1 17 31 2  o 22.56000 2.522000  -0.3789000     5.043000  
1 1 1 17 31 4  o 19.06000 2.950000  -2.784000      5.901000  
1 1 1 17 31 6  o 8.514000 2.725000  0.6163000      5.449000  
1 1 1 17 31 8  f 29.58000 1.980000  -1.496000      3.961000  
1 1 1 17 31 10 o 8.098000 2.742000  -1.560000      5.483000  
1 1 1 17 31 12 o 20.07000 3.776000  5.531000       7.551000  
1 1 1 17 31 14 o 60.95000 1.873000  6.618000       3.746000  
1 1 1 17 31 18 o 27.92000 2.832000  -3.119000      5.664000  
1 1 1 17 31 20 o 16.58000 3.127000  -1.791000      6.254000  
1 1 1 17 31 22 o 13.05000 2.850000  -2.656000      5.700000  
1 1 1 17 31 24 o 35.49000 1.651000  -1.527000      3.301000  
1 1 1 17 31 26 o 9.890000 2.893000  1.665000       5.786000  
1 1 1 17 31 28 f 13.29000 3.189000  -5.404000      6.377000  
1 1 1 17 31 30 o 25.04000 1.827000  0.6253000      3.655000  
1 1 1 17 32 1  o 11.49000 3.236000  1.897000       6.472000  
1 1 1 17 32 3  o 18.43000 3.502000  0.9985000      7.004000  
1 1 1 17 32 5  f 17.33000 3.572000  2.071000       7.144000  
1 1 1 17 32 7  o 28.28000 3.568000  12.95000       7.136000  
1 1 1 17 32 9  o 9.077000 4.503000  ?              ?         
1 1 1 17 32 11 o 44.74000 2.685000  1.523000       5.370000  
1 1 1 17 32 15 o 8.352000 2.736000  0.5833000E-01  5.471000  
1 1 1 17 32 17 o 24.53000 2.771000  -5.743000      5.542000  
1 1 1 17 32 19 o 19.37000 4.855000  6.355000       9.711000  
1 1 1 17 32 21 o 20.06000 3.854000  -7.652000      7.708000  
1 1 1 17 32 23 o 15.04000 3.244000  4.034000       6.487000  
1 1 1 17 32 25 o 18.95000 2.762000  -7.676000      5.524000  
1 1 1 17 32 27 o 10.76000 2.930000  1.690000       5.859000  
1 1 1 17 32 29 o 43.52000 1.574000  -5.824000      3.149000  
1 1 1 17 33 0  o 7.040000 3.519000  0.000000       0.000000  
1 1 1 17 33 2  o 26.08000 3.518000  3.293000       7.035000  
1 1 1 17 33 4  o 22.16000 4.265000  3.720000       8.529000  
1 1 1 17 33 6  o 32.37000 4.263000  -2.607000      8.527000  
1 1 1 17 33 8  o 53.00000 1.768000  8.452000       3.537000  
1 1 1 17 33 12 o 12.74000 2.873000  -7.153000      5.747000  
1 1 1 17 33 14 o 37.30000 2.052000  -1.704000      4.104000  
1 1 1 17 33 16 o 36.95000 2.078000  -3.533000      4.156000  
1 1 1 17 33 18 o 9.322000 2.890000  2.993000       5.780000  
1 1 1 17 33 20 o 42.25000 5.175000  -7.032000      10.35000  
1 1 1 17 33 22 o 28.17000 2.347000  -0.8953000     4.694000  
1 1 1 17 33 24 f 10.08000 2.967000  1.280000       5.934000  
1 1 1 17 33 26 o 10.25000 2.778000  -3.595000      5.557000  
1 1 1 17 33 28 o 37.78000 2.147000  -8.193000      4.294000  
1 1 1 17 34 1  o 13.80000 3.490000  1.774000       6.981000  
1 1 1 17 34 3  o 14.16000 3.670000  -2.942000      7.339000  
1 1 1 17 34 7  o 8.207000 2.665000  2.354000       5.331000  
1 1 1 17 34 9  o 9.994000 2.891000  0.2519000      5.781000  
1 1 1 17 34 11 o 11.54000 3.489000  -0.1768000     6.979000  
1 1 1 17 34 13 o 16.93000 3.689000  -3.888000      7.378000  
1 1 1 17 34 15 o 16.96000 3.463000  3.020000       6.925000  
1 1 1 17 34 17 o 13.00000 3.414000  -1.921000      6.829000  
1 1 1 17 34 19 o 40.19000 2.007000  -2.780000      4.014000  
1 1 1 17 34 21 o 19.94000 4.702000  1.524000       9.403000  
1 1 1 17 34 23 o 18.32000 2.521000  -7.396000      5.042000  
1 1 1 17 34 25 o 8.338000 2.676000  2.650000       5.352000  
1 1 1 17 34 27 o 9.451000 2.689000  -1.322000      5.378000  
1 1 1 17 35 0  o 8.058000 3.712000  0.000000       0.000000  
1 1 1 17 35 2  o 7.217000 2.389000  -0.3853000     4.777000  
1 1 1 17 35 4  o 17.08000 2.703000  -1.320000      5.407000  
1 1 1 17 35 6  o 11.39000 3.478000  -1.538000      6.956000  
1 1 1 17 35 8  o 13.20000 3.647000  1.187000       7.293000  
1 1 1 17 35 10 o 10.88000 3.431000  -0.5664000     6.862000  
1 1 1 17 35 12 o 34.72000 2.258000  -1.617000      4.516000  
1 1 1 17 35 14 f 10.68000 3.248000  -2.639000      6.496000  
1 1 1 17 35 16 o 16.57000 3.369000  -8.666000      6.738000  
1 1 1 17 35 18 f 19.88000 3.186000  1.538000       6.372000  
1 1 1 17 35 20 o 14.50000 3.310000  2.001000       6.621000  
1 1 1 17 35 22 o 9.325000 2.775000  -0.2132000     5.551000  
1 1 1 17 35 24 f 14.81000 2.815000  -9.246000      5.631000  
1 1 1 17 35 26 f 12.48000 3.388000  7.097000       6.776000  
1 1 1 17 36 1  o 37.28000 2.409000  -1.847000      4.818000  
1 1 1 17 36 3  o 19.52000 3.637000  -0.8813000     7.273000  
1 1 1 17 36 5  o 12.48000 3.528000  -0.6536000     7.056000  
1 1 1 17 36 7  o 40.38000 1.975000  4.551000       3.949000  
1 1 1 17 36 9  o 22.02000 3.623000  -0.7878000     7.245000  
1 1 1 17 36 11 o 13.85000 3.364000  -10.71000      6.728000  
1 1 1 17 36 13 o 14.44000 3.525000  1.224000       7.051000  
1 1 1 17 36 15 o 21.73000 3.301000  0.3163000      6.601000  
1 1 1 17 36 17 o 12.41000 3.394000  0.6881000      6.788000  
1 1 1 17 36 19 o 10.84000 3.047000  -3.457000      6.094000  
1 1 1 17 36 21 o 19.23000 3.638000  -2.011000      7.275000  
1 1 1 17 36 23 o 31.69000 2.077000  11.31000       4.155000  
1 1 1 17 37 0  f 12.67000 5.028000  0.000000       0.000000  
1 1 1 17 37 2  o 12.18000 3.556000  2.093000       7.112000  
1 1 1 17 37 4  o 14.52000 3.724000  -2.857000      7.449000  
1 1 1 17 37 6  o 16.60000 3.598000  6.161000       7.196000  
1 1 1 17 37 8  o 20.64000 3.841000  -1.272000      7.683000  
1 1 1 17 37 10 o 11.79000 3.421000  0.7799000      6.841000  
1 1 1 17 37 12 o 10.52000 3.235000  -1.114000      6.470000  
1 1 1 17 37 14 o 10.79000 3.282000  -0.2665000     6.564000  
1 1 1 17 37 16 o 11.16000 3.316000  -2.232000      6.633000  
1 1 1 17 37 18 f 7.665000 2.543000  -0.1746000     5.086000  
1 1 1 17 37 20 o 7.104000 2.427000  4.338000       4.855000  
1 1 1 17 37 22 o 8.009000 3.666000  ?              ?         
1 1 1 17 38 1  o 23.48000 3.217000  -0.6920000     6.435000  
1 1 1 17 38 3  o 34.66000 2.217000  -0.8849000     4.434000  
1 1 1 17 38 5  o 19.28000 3.449000  -1.204000      6.898000  
1 1 1 17 38 7  f 14.76000 3.830000  -1.864000      7.661000  
1 1 1 17 38 9  o 31.36000 2.764000  -3.212000      5.528000  
1 1 1 17 38 11 o 12.77000 3.578000  0.6336000E-01  7.156000  
1 1 1 17 38 13 o 12.36000 3.529000  -0.8660000     7.057000  
1 1 1 17 38 15 o 13.74000 3.193000  3.240000       6.385000  
1 1 1 17 38 17 o 8.727000 2.856000  0.9918000      5.711000  
1 1 1 17 38 19 o 36.58000 1.644000  2.779000       3.288000  
1 1 1 17 39 0  o 34.44000 3.200000  0.000000       0.000000  
1 1 1 17 39 2  o 20.00000 3.452000  1.794000       6.903000  
1 1 1 17 39 4  o 14.63000 3.896000  1.427000       7.791000  
1 1 1 17 39 6  o 10.76000 3.330000  -1.801000      6.660000  
1 1 1 17 39 8  f 11.95000 3.564000  -2.996000      7.129000  
1 1 1 17 39 10 o 15.53000 3.338000  1.778000       6.676000  
1 1 1 17 39 12 o 8.869000 2.859000  -0.8255000     5.718000  
1 1 1 17 39 14 o 7.732000 2.623000  -1.596000      5.246000  
1 1 1 17 39 16 o 32.57000 1.662000  -4.760000      3.324000  
1 1 1 17 39 18 o 9.318000 2.883000  -0.9897000     5.766000  
1 1 1 17 40 1  o 15.15000 3.114000  3.284000       6.229000  
1 1 1 17 40 3  o 10.24000 3.086000  -1.422000      6.172000  
1 1 1 17 40 5  o 13.05000 3.383000  -0.7022000     6.766000  
1 1 1 17 40 7  o 42.69000 2.264000  6.847000       4.528000  
1 1 1 17 40 9  o 20.47000 3.553000  -3.977000      7.106000  
1 1 1 17 40 11 o 9.492000 3.138000  -4.451000      6.276000  
1 1 1 17 40 13 o 33.84000 1.543000  4.048000       3.086000  
1 1 1 17 40 15 o 7.550000 2.510000  0.1399000      5.021000  
1 1 1 17 41 0  f 7.544000 3.589000  0.000000       0.000000  
1 1 1 17 41 2  o 17.62000 3.052000  -0.4823000     6.104000  
1 1 1 17 41 4  o 7.998000 2.649000  -1.109000      5.298000  
1 1 1 17 41 6  o 11.95000 3.306000  -4.260000      6.613000  
1 1 1 17 41 8  o 26.17000 2.493000  -5.637000      4.986000  
1 1 1 17 41 10 o 16.24000 2.682000  -9.096000      5.365000  
1 1 1 17 41 12 o 10.74000 2.810000  -0.8988000     5.621000  
1 1 1 17 42 1  f 21.79000 3.872000  3.520000       7.744000  
1 1 1 17 42 3  o 28.15000 2.346000  8.128000       4.693000  
1 1 1 17 42 5  o 13.28000 3.436000  3.383000       6.873000  
1 1 1 17 42 7  o 13.79000 2.976000  3.483000       5.952000  
1 1 1 18 0  0  o 125.1000 3.251000  0.000000       0.000000  
1 1 1 18 0  2  o 5.848000 2.411000  0.000000       0.000000  
1 1 1 18 0  4  o 4.615000 2.157000  0.000000       0.000000  
1 1 1 18 0  6  o 120.5000 2.219000  0.000000       0.000000  
1 1 1 18 0  8  o 17.42000 1.650000  0.000000       0.000000  
1 1 1 18 0  10 o 122.6000 2.254000  0.000000       0.000000  
1 1 1 18 0  12 o 132.8000 2.816000  0.000000       0.000000  
1 1 1 18 0  14 o 20.15000 1.165000  0.000000       0.000000  
1 1 1 18 0  16 o 39.13000 0.8997000 0.000000       0.000000  
1 1 1 18 0  18 o 47.29000 1.041000  0.000000       0.000000  
1 1 1 18 0  20 o 85.93000 1.615000  0.000000       0.000000  
1 1 1 18 0  22 o 41.41000 1.023000  0.000000       0.000000  
1 1 1 18 0  24 o 33.10000 1.045000  0.000000       0.000000  
1 1 1 18 0  26 o 29.72000 1.077000  0.000000       0.000000  
1 1 1 18 0  28 o 5.391000 2.309000  0.000000       0.000000  
1 1 1 18 0  30 f 44.92000 1.171000  0.000000       0.000000  
1 1 1 18 0  32 o 36.72000 1.170000  0.000000       0.000000  
1 1 1 18 0  34 o 16.02000 2.024000  0.000000       0.000000  
1 1 1 18 0  36 o 16.32000 2.545000  0.000000       0.000000  
1 1 1 18 0  38 o 6.484000 2.668000  0.000000       0.000000  
1 1 1 18 0  40 o 40.63000 1.395000  0.000000       0.000000  
1 1 1 18 0  42 o 8.570000 2.770000  0.000000       0.000000  
1 1 1 18 0  44 o 32.60000 1.819000  0.000000       0.000000  
1 1 1 18 1  1  o 83.27000 1.117000  -0.3862000     2.235000  
1 1 1 18 1  3  o 107.2000 1.404000  0.7828000      2.808000  
1 1 1 18 1  5  o 69.07000 0.9682000 -0.3537000     1.936000  
1 1 1 18 1  7  o 40.49000 0.8409000 -0.2640000     1.682000  
1 1 1 18 1  9  o 36.74000 0.9931000 -0.9577000E-01 1.986000  
1 1 1 18 1  11 o 101.2000 1.624000  -0.4295000     3.248000  
1 1 1 18 1  13 o 41.53000 0.8294000 0.3876000      1.659000  
1 1 1 18 1  15 o 65.68000 0.8945000 2.108000       1.789000  
1 1 1 18 1  17 o 57.68000 0.8216000 0.5584000      1.643000  
1 1 1 18 1  19 o 23.20000 0.7080000 -0.3720000E-01 1.416000  
1 1 1 18 1  21 o 23.90000 0.7737000 -3.887000      1.547000  
1 1 1 18 1  23 o 64.11000 0.9214000 4.315000       1.843000  
1 1 1 18 1  25 o 25.55000 0.7648000 -0.5745000     1.530000  
1 1 1 18 1  27 o 18.96000 1.047000  -0.9351000     2.093000  
1 1 1 18 1  29 o 36.53000 0.7953000 -0.7403000     1.591000  
1 1 1 18 1  31 o 46.23000 0.8551000 -0.8014000     1.710000  
1 1 1 18 1  33 o 36.96000 0.8412000 -0.9522000     1.682000  
1 1 1 18 1  35 o 41.33000 1.035000  -0.4594000     2.069000  
1 1 1 18 1  37 o 24.67000 1.064000  0.5062000      2.128000  
1 1 1 18 1  39 o 14.24000 1.788000  -0.8163000E-01 3.575000  
1 1 1 18 1  41 o 17.90000 2.109000  -1.959000      4.217000  
1 1 1 18 1  43 o 8.366000 2.156000  1.064000       4.312000  
1 1 1 18 2  0  o 170.6000 3.094000  0.000000       0.000000  
1 1 1 18 2  2  o 111.3000 1.453000  -0.9855000     2.906000  
1 1 1 18 2  4  o 53.65000 0.8279000 -0.5165000     1.656000  
1 1 1 18 2  6  o 139.6000 1.947000  2.286000       3.894000  
1 1 1 18 2  8  f 145.7000 2.164000  0.8146000      4.327000  
1 1 1 18 2  10 o 58.03000 0.9766000 0.5099000      1.953000  
1 1 1 18 2  12 o 52.22000 0.9465000 -2.014000      1.893000  
1 1 1 18 2  14 o 30.06000 0.6648000 1.371000       1.330000  
1 1 1 18 2  16 o 28.03000 0.6363000 -1.595000      1.273000  
1 1 1 18 2  18 o 18.22000 0.8143000 -1.645000      1.629000  
1 1 1 18 2  20 f 29.19000 0.6840000 -0.2548000E-02 1.368000  
1 1 1 18 2  22 o 51.45000 0.8307000 1.713000       1.661000  
1 1 1 18 2  24 o 45.16000 0.7724000 1.423000       1.545000  
1 1 1 18 2  26 o 75.64000 1.225000  1.636000       2.450000  
1 1 1 18 2  28 o 33.20000 0.8021000 1.310000       1.604000  
1 1 1 18 2  30 o 33.16000 0.8049000 -0.8487000     1.610000  
1 1 1 18 2  32 o 26.42000 0.8386000 -0.7794000     1.677000  
1 1 1 18 2  34 o 36.71000 0.9711000 0.2680000      1.942000  
1 1 1 18 2  36 f 33.75000 1.163000  -0.6783000     2.325000  
1 1 1 18 2  38 o 8.482000 2.033000  -1.327000      4.065000  
1 1 1 18 2  40 o 28.20000 0.9742000 0.2376000      1.948000  
1 1 1 18 2  42 o 22.86000 1.624000  -0.3116000     3.248000  
1 1 1 18 2  44 o 40.06000 1.171000  -3.278000      2.342000  
1 1 1 18 3  1  o 75.15000 1.032000  -1.005000      2.064000  
1 1 1 18 3  3  o 140.5000 1.816000  -0.6682000     3.631000  
1 1 1 18 3  5  o 87.13000 1.262000  -1.688000      2.523000  
1 1 1 18 3  7  o 18.68000 1.093000  0.3027000E-01  2.185000  
1 1 1 18 3  9  o 34.75000 0.8746000 -1.029000      1.749000  
1 1 1 18 3  11 o 135.7000 2.485000  10.47000       4.969000  
1 1 1 18 3  13 o 72.81000 1.223000  -6.882000      2.446000  
1 1 1 18 3  15 o 14.79000 0.9115000 -2.592000      1.823000  
1 1 1 18 3  17 o 38.00000 0.6807000 -0.5343000     1.361000  
1 1 1 18 3  19 o 31.19000 0.6830000 -1.188000      1.366000  
1 1 1 18 3  21 o 47.15000 0.7490000 2.064000       1.498000  
1 1 1 18 3  23 o 53.83000 0.8151000 2.123000       1.630000  
1 1 1 18 3  25 o 31.07000 0.7482000 -0.3608000     1.496000  
1 1 1 18 3  27 o 58.45000 0.9133000 -0.2188000     1.827000  
1 1 1 18 3  29 o 56.41000 0.9183000 -0.1918000     1.837000  
1 1 1 18 3  31 o 40.41000 0.8361000 1.431000       1.672000  
1 1 1 18 3  33 o 44.76000 0.8965000 -0.2594000     1.793000  
1 1 1 18 3  35 o 49.01000 1.116000  -0.5686000     2.233000  
1 1 1 18 3  37 o 62.19000 1.110000  -0.8941000     2.220000  
1 1 1 18 3  39 o 16.03000 1.800000  0.8488000      3.601000  
1 1 1 18 3  41 o 24.32000 1.290000  -0.2315000     2.580000  
1 1 1 18 3  43 o 13.68000 2.077000  -1.611000      4.153000  
1 1 1 18 4  0  o 118.4000 2.182000  0.000000       0.000000  
1 1 1 18 4  2  o 124.8000 1.623000  0.4821000      3.246000  
1 1 1 18 4  4  o 32.51000 0.8447000 -0.5163000     1.689000  
1 1 1 18 4  6  o 177.1000 2.788000  -2.446000      5.576000  
1 1 1 18 4  8  o 77.37000 1.367000  -2.310000      2.734000  
1 1 1 18 4  10 o 81.30000 1.344000  -2.641000      2.687000  
1 1 1 18 4  12 o 155.5000 2.463000  -6.857000      4.925000  
1 1 1 18 4  14 o 48.68000 0.7510000 0.9745000      1.502000  
1 1 1 18 4  16 o 83.57000 1.148000  -2.949000      2.297000  
1 1 1 18 4  18 o 67.06000 0.9236000 0.5572000      1.847000  
1 1 1 18 4  20 o 58.42000 0.8488000 1.342000       1.698000  
1 1 1 18 4  22 o 28.27000 0.7244000 1.344000       1.449000  
1 1 1 18 4  24 o 14.23000 1.117000  0.5484000      2.235000  
1 1 1 18 4  26 o 25.54000 0.8331000 0.6453000      1.666000  
1 1 1 18 4  28 o 48.62000 0.8377000 0.9802000E-01  1.675000  
1 1 1 18 4  30 o 74.50000 1.095000  -0.2229000     2.189000  
1 1 1 18 4  32 o 38.59000 0.9901000 0.7900000      1.980000  
1 1 1 18 4  34 o 47.88000 1.150000  0.7801000      2.300000  
1 1 1 18 4  36 o 23.71000 1.681000  -1.491000      3.362000  
1 1 1 18 4  38 o 49.39000 1.225000  -3.805000      2.451000  
1 1 1 18 4  40 o 23.95000 1.457000  3.541000       2.914000  
1 1 1 18 4  42 o 16.05000 1.663000  -0.8983000     3.327000  
1 1 1 18 4  44 o 31.23000 2.052000  7.211000       4.104000  
1 1 1 18 5  1  o 121.0000 1.578000  -1.150000      3.156000  
1 1 1 18 5  3  o 79.29000 1.088000  -1.764000      2.176000  
1 1 1 18 5  5  o 122.2000 1.870000  4.193000       3.741000  
1 1 1 18 5  7  o 46.80000 1.317000  -1.862000      2.634000  
1 1 1 18 5  9  o 90.69000 1.249000  -2.735000      2.498000  
1 1 1 18 5  11 o 86.04000 1.414000  -4.480000      2.828000  
1 1 1 18 5  13 o 43.14000 0.7426000 -0.8082000E-01 1.485000  
1 1 1 18 5  15 o 22.63000 0.7089000 0.2410000      1.418000  
1 1 1 18 5  17 o 26.02000 0.6989000 -1.419000      1.398000  
1 1 1 18 5  19 o 68.33000 0.9470000 0.8326000      1.894000  
1 1 1 18 5  21 o 22.68000 0.7774000 -0.8800000     1.555000  
1 1 1 18 5  23 o 66.43000 0.9400000 0.5547000      1.880000  
1 1 1 18 5  25 o 35.42000 0.7080000 1.375000       1.416000  
1 1 1 18 5  27 o 44.71000 0.9906000 -0.3008000     1.981000  
1 1 1 18 5  29 o 30.64000 1.015000  0.4819000      2.031000  
1 1 1 18 5  31 o 19.48000 1.194000  -0.5422000     2.387000  
1 1 1 18 5  33 o 63.38000 1.221000  1.640000       2.442000  
1 1 1 18 5  35 o 63.71000 1.223000  -0.6676000E-01 2.446000  
1 1 1 18 5  37 o 56.64000 1.356000  -1.530000      2.711000  
1 1 1 18 5  39 o 5.703000 1.878000  3.219000       3.757000  
1 1 1 18 5  41 o 11.70000 2.431000  1.046000       4.862000  
1 1 1 18 5  43 o 8.749000 2.434000  1.728000       4.868000  
1 1 1 18 6  0  o 34.15000 1.112000  0.000000       0.000000  
1 1 1 18 6  2  o 51.72000 1.043000  1.309000       2.087000  
1 1 1 18 6  4  o 31.58000 0.9885000 -3.304000      1.977000  
1 1 1 18 6  6  o 34.73000 0.9422000 -0.6700000     1.884000  
1 1 1 18 6  8  f 91.45000 1.313000  -2.458000      2.625000  
1 1 1 18 6  10 o 149.3000 2.362000  -4.252000      4.725000  
1 1 1 18 6  12 o 71.65000 1.263000  -0.6226000     2.526000  
1 1 1 18 6  14 o 83.91000 1.146000  0.7262000      2.291000  
1 1 1 18 6  16 o 59.46000 0.8707000 0.1103000      1.741000  
1 1 1 18 6  18 o 41.68000 0.7384000 -0.7501000     1.477000  
1 1 1 18 6  20 o 41.99000 0.7242000 3.140000       1.448000  
1 1 1 18 6  22 o 56.76000 0.8412000 -1.269000      1.682000  
1 1 1 18 6  24 o 10.25000 2.384000  0.7677000      4.767000  
1 1 1 18 6  26 o 51.74000 0.9304000 -1.569000      1.861000  
1 1 1 18 6  28 o 36.20000 0.8655000 -0.1146000     1.731000  
1 1 1 18 6  30 o 44.10000 0.9358000 -2.061000      1.872000  
1 1 1 18 6  32 o 6.938000 1.941000  2.406000       3.881000  
1 1 1 18 6  34 o 14.47000 2.248000  1.533000       4.496000  
1 1 1 18 6  36 o 20.65000 1.951000  -3.250000      3.903000  
1 1 1 18 6  38 o 10.12000 2.500000  1.508000       4.999000  
1 1 1 18 6  40 o 19.28000 1.429000  2.258000       2.858000  
1 1 1 18 6  42 o 6.417000 1.943000  1.022000       3.887000  
1 1 1 18 6  44 o 15.63000 4.360000  3.497000       8.721000  
1 1 1 18 7  1  o 65.63000 1.148000  -0.7257000     2.297000  
1 1 1 18 7  3  o 63.33000 1.137000  -5.932000      2.273000  
1 1 1 18 7  5  o 48.34000 0.9795000 1.955000       1.959000  
1 1 1 18 7  7  o 70.79000 1.057000  -1.765000      2.113000  
1 1 1 18 7  9  o 48.37000 0.9398000 -0.5727000     1.880000  
1 1 1 18 7  11 o 61.83000 1.063000  1.780000       2.125000  
1 1 1 18 7  13 o 61.49000 0.8936000 -0.1042000     1.787000  
1 1 1 18 7  15 o 90.50000 1.234000  -0.9753000     2.468000  
1 1 1 18 7  17 o 102.1000 1.380000  0.7322000E-01  2.759000  
1 1 1 18 7  19 o 93.42000 1.270000  1.636000       2.539000  
1 1 1 18 7  21 o 43.45000 0.8112000 0.2496000      1.622000  
1 1 1 18 7  23 o 14.60000 1.391000  -1.577000      2.783000  
1 1 1 18 7  25 o 39.97000 0.8446000 -0.7252000     1.689000  
1 1 1 18 7  27 o 20.73000 1.103000  1.101000       2.205000  
1 1 1 18 7  29 o 39.97000 0.9184000 0.1775000E-01  1.837000  
1 1 1 18 7  31 o 21.38000 1.151000  -1.029000      2.301000  
1 1 1 18 7  33 o 55.93000 1.175000  1.073000       2.351000  
1 1 1 18 7  35 o 14.38000 2.836000  6.661000       5.672000  
1 1 1 18 7  37 o 38.01000 1.239000  -1.159000      2.478000  
1 1 1 18 7  39 o 19.42000 1.418000  4.526000       2.836000  
1 1 1 18 7  41 o 17.37000 1.717000  -1.074000      3.433000  
1 1 1 18 7  43 o 18.00000 1.899000  5.092000       3.799000  
1 1 1 18 8  0  o 129.6000 2.765000  0.000000       0.000000  
1 1 1 18 8  2  o 101.5000 1.743000  0.4357000      3.486000  
1 1 1 18 8  4  o 66.42000 1.165000  1.843000       2.331000  
1 1 1 18 8  6  o 110.9000 1.671000  0.5869000      3.341000  
1 1 1 18 8  8  o 61.22000 1.078000  0.1626000      2.156000  
1 1 1 18 8  10 o 73.03000 1.226000  -3.433000      2.452000  
1 1 1 18 8  12 o 27.92000 0.6871000 0.3679000      1.374000  
1 1 1 18 8  14 o 48.53000 0.7559000 1.196000       1.512000  
1 1 1 18 8  16 o 49.07000 0.7953000 0.5542000      1.591000  
1 1 1 18 8  18 o 26.66000 0.7255000 0.5296000      1.451000  
1 1 1 18 8  20 o 58.59000 0.8676000 -2.149000      1.735000  
1 1 1 18 8  22 o 45.05000 0.8774000 -1.319000      1.755000  
1 1 1 18 8  24 o 7.302000 1.781000  -0.4144000     3.561000  
1 1 1 18 8  26 o 34.10000 0.8698000 -1.270000      1.740000  
1 1 1 18 8  28 o 35.20000 0.9222000 0.2123000      1.844000  
1 1 1 18 8  30 o 37.62000 1.064000  -0.2927000     2.129000  
1 1 1 18 8  32 o 34.15000 1.318000  -4.326000      2.637000  
1 1 1 18 8  34 o 32.93000 1.947000  -3.641000      3.895000  
1 1 1 18 8  36 o 14.18000 2.205000  -0.2883000     4.409000  
1 1 1 18 8  38 o 20.26000 4.433000  6.887000       8.866000  
1 1 1 18 8  40 o 12.11000 2.365000  2.009000       4.730000  
1 1 1 18 8  42 o 15.02000 1.769000  0.9808000      3.537000  
1 1 1 18 8  44 o 8.151000 2.960000  ?              ?         
1 1 1 18 9  1  o 89.34000 1.402000  -1.703000      2.804000  
1 1 1 18 9  3  o 61.24000 0.9891000 -1.250000      1.978000  
1 1 1 18 9  5  o 130.5000 2.391000  -6.120000      4.782000  
1 1 1 18 9  7  o 52.82000 1.051000  -1.622000      2.102000  
1 1 1 18 9  9  o 111.7000 1.885000  -1.336000      3.769000  
1 1 1 18 9  11 o 26.39000 0.7101000 1.064000       1.420000  
1 1 1 18 9  13 o 70.78000 0.9999000 -3.868000      2.000000  
1 1 1 18 9  15 o 48.99000 0.8381000 0.7626000      1.676000  
1 1 1 18 9  17 o 22.93000 0.7785000 -5.613000      1.557000  
1 1 1 18 9  19 o 49.75000 0.8053000 1.718000       1.611000  
1 1 1 18 9  21 o 29.55000 0.7104000 -0.5485000     1.421000  
1 1 1 18 9  23 o 24.98000 1.054000  2.600000       2.107000  
1 1 1 18 9  25 o 63.81000 1.214000  -2.489000      2.429000  
1 1 1 18 9  27 o 69.65000 1.212000  0.7341000      2.424000  
1 1 1 18 9  29 o 48.19000 1.050000  -1.074000      2.100000  
1 1 1 18 9  31 o 39.70000 1.151000  0.9723000      2.302000  
1 1 1 18 9  33 o 13.42000 2.373000  7.609000       4.747000  
1 1 1 18 9  35 o 29.44000 1.539000  0.1981000      3.078000  
1 1 1 18 9  37 o 34.74000 1.237000  0.6998000      2.474000  
1 1 1 18 9  39 o 9.754000 2.175000  -2.880000      4.350000  
1 1 1 18 9  41 o 42.80000 1.169000  -3.015000      2.337000  
1 1 1 18 9  43 o 31.87000 1.578000  -4.392000      3.156000  
1 1 1 18 10 0  o 184.6000 3.352000  0.000000       0.000000  
1 1 1 18 10 2  o 74.52000 1.204000  0.2320000      2.408000  
1 1 1 18 10 4  o 65.38000 1.194000  -0.5323000     2.388000  
1 1 1 18 10 6  o 76.04000 1.207000  -0.7499000     2.413000  
1 1 1 18 10 8  o 58.42000 1.092000  1.247000       2.185000  
1 1 1 18 10 10 o 57.57000 0.8983000 -1.261000      1.797000  
1 1 1 18 10 12 o 27.25000 0.7444000 -0.2976000     1.489000  
1 1 1 18 10 14 o 68.09000 1.091000  2.447000       2.181000  
1 1 1 18 10 16 o 46.16000 0.8145000 -0.6474000     1.629000  
1 1 1 18 10 18 o 47.56000 0.9213000 -2.011000      1.843000  
1 1 1 18 10 20 o 21.56000 0.9081000 0.1375000      1.816000  
1 1 1 18 10 22 o 70.05000 1.295000  5.615000       2.589000  
1 1 1 18 10 24 o 24.33000 1.013000  -0.6627000     2.026000  
1 1 1 18 10 26 o 38.14000 0.9656000 3.244000       1.931000  
1 1 1 18 10 28 o 10.06000 1.910000  2.043000       3.819000  
1 1 1 18 10 30 o 35.97000 1.053000  1.761000       2.106000  
1 1 1 18 10 32 o 20.58000 1.522000  -1.584000      3.044000  
1 1 1 18 10 34 o 8.812000 2.610000  4.955000       5.220000  
1 1 1 18 10 36 o 16.06000 1.978000  0.6633000      3.957000  
1 1 1 18 10 38 o 38.29000 1.192000  -2.505000      2.385000  
1 1 1 18 10 40 o 13.64000 2.013000  -3.878000      4.026000  
1 1 1 18 10 42 o 6.693000 2.147000  -0.6484000E-01 4.294000  
1 1 1 18 11 1  o 58.09000 1.007000  -0.4629000     2.013000  
1 1 1 18 11 3  f 40.24000 0.8250000 -0.1379000     1.650000  
1 1 1 18 11 5  o 79.80000 1.171000  0.2203000      2.343000  
1 1 1 18 11 7  o 56.09000 1.018000  2.466000       2.036000  
1 1 1 18 11 9  o 28.68000 0.7754000 -0.5202000     1.551000  
1 1 1 18 11 11 o 25.74000 0.7813000 -0.7739000     1.563000  
1 1 1 18 11 13 o 85.10000 1.236000  -1.890000      2.472000  
1 1 1 18 11 15 o 52.17000 0.8917000 2.583000       1.783000  
1 1 1 18 11 17 o 67.60000 0.9723000 0.3967000E-03  1.945000  
1 1 1 18 11 19 o 55.01000 0.8673000 -0.1118000     1.735000  
1 1 1 18 11 21 o 50.50000 0.8542000 0.3421000      1.708000  
1 1 1 18 11 23 o 44.74000 0.9678000 1.520000       1.936000  
1 1 1 18 11 25 o 15.26000 1.475000  -0.9128000     2.950000  
1 1 1 18 11 27 o 61.56000 1.338000  -2.309000      2.677000  
1 1 1 18 11 29 o 33.85000 1.003000  -0.4491000     2.006000  
1 1 1 18 11 31 o 29.03000 1.138000  0.7097000      2.277000  
1 1 1 18 11 33 o 63.28000 1.793000  -7.200000      3.586000  
1 1 1 18 11 35 o 11.91000 2.446000  1.269000       4.892000  
1 1 1 18 11 37 o 25.99000 1.407000  -3.310000      2.813000  
1 1 1 18 11 39 f 15.09000 1.961000  1.607000       3.921000  
1 1 1 18 11 41 o 17.77000 1.948000  -1.460000      3.897000  
1 1 1 18 11 43 o 10.30000 3.170000  -0.8770000     6.341000  
1 1 1 18 12 0  o 29.41000 1.223000  0.000000       0.000000  
1 1 1 18 12 2  o 57.99000 1.078000  -1.030000      2.156000  
1 1 1 18 12 4  o 61.21000 1.267000  1.922000       2.533000  
1 1 1 18 12 6  o 125.9000 1.883000  0.5875000      3.766000  
1 1 1 18 12 8  o 50.78000 0.8338000 -0.4399000E-01 1.668000  
1 1 1 18 12 10 o 50.43000 0.9399000 1.916000       1.880000  
1 1 1 18 12 12 o 26.72000 1.031000  -0.9118000     2.062000  
1 1 1 18 12 14 o 18.28000 0.9818000 -2.058000      1.964000  
1 1 1 18 12 16 o 25.18000 0.8333000 -0.9150000     1.667000  
1 1 1 18 12 18 o 48.84000 0.9124000 0.2636000      1.825000  
1 1 1 18 12 20 o 60.39000 1.043000  1.136000       2.085000  
1 1 1 18 12 22 o 35.53000 0.7773000 -1.058000      1.555000  
1 1 1 18 12 24 o 42.88000 0.8497000 2.522000       1.699000  
1 1 1 18 12 26 o 36.60000 1.015000  1.239000       2.030000  
1 1 1 18 12 28 o 18.11000 1.219000  0.4378000      2.439000  
1 1 1 18 12 30 o 16.97000 1.379000  1.422000       2.758000  
1 1 1 18 12 32 o 25.87000 1.782000  2.694000       3.564000  
1 1 1 18 12 34 o 40.68000 1.389000  4.954000       2.778000  
1 1 1 18 12 36 o 7.917000 2.243000  -0.4229000     4.485000  
1 1 1 18 12 38 o 40.50000 1.221000  -4.400000      2.442000  
1 1 1 18 12 40 o 9.042000 2.462000  -1.061000      4.924000  
1 1 1 18 12 42 o 37.83000 1.576000  0.9938000      3.153000  
1 1 1 18 13 1  o 51.46000 0.8369000 -3.331000      1.674000  
1 1 1 18 13 3  o 25.75000 0.8261000 -0.6039000     1.652000  
1 1 1 18 13 5  o 63.98000 1.052000  -0.6251000     2.105000  
1 1 1 18 13 7  o 42.69000 0.9179000 1.383000       1.836000  
1 1 1 18 13 9  o 41.53000 0.8817000 -1.709000      1.763000  
1 1 1 18 13 11 o 67.43000 1.176000  3.868000       2.353000  
1 1 1 18 13 13 o 33.00000 0.9405000 -2.089000      1.881000  
1 1 1 18 13 15 o 60.02000 1.180000  0.2917000      2.360000  
1 1 1 18 13 17 o 38.48000 0.7861000 -0.2738000     1.572000  
1 1 1 18 13 19 o 51.54000 0.8669000 0.4629000      1.734000  
1 1 1 18 13 21 o 68.39000 1.325000  -0.1777000     2.650000  
1 1 1 18 13 23 o 47.65000 0.8787000 -1.929000      1.757000  
1 1 1 18 13 25 o 40.30000 1.009000  -2.081000      2.017000  
1 1 1 18 13 27 o 12.42000 1.876000  2.152000       3.753000  
1 1 1 18 13 29 o 54.05000 1.215000  1.779000       2.430000  
1 1 1 18 13 31 o 20.69000 3.174000  -14.34000      6.348000  
1 1 1 18 13 33 o 6.253000 2.105000  2.224000       4.209000  
1 1 1 18 13 35 o 9.626000 2.392000  1.023000       4.785000  
1 1 1 18 13 37 o 30.35000 1.375000  3.110000       2.749000  
1 1 1 18 13 39 o 9.056000 2.526000  -2.220000      5.052000  
1 1 1 18 13 41 o 8.942000 2.626000  -1.034000      5.253000  
1 1 1 18 14 0  o 30.33000 1.287000  0.000000       0.000000  
1 1 1 18 14 2  o 19.85000 0.8813000 -1.584000      1.763000  
1 1 1 18 14 4  o 48.99000 0.8440000 -1.395000      1.688000  
1 1 1 18 14 6  o 26.60000 0.8635000 -2.113000      1.727000  
1 1 1 18 14 8  o 60.69000 0.9497000 4.274000       1.899000  
1 1 1 18 14 10 o 37.49000 0.8582000 0.8948000      1.716000  
1 1 1 18 14 12 o 30.97000 0.9084000 2.109000       1.817000  
1 1 1 18 14 14 o 42.22000 0.9177000 -0.2976000     1.835000  
1 1 1 18 14 16 o 22.32000 1.038000  -0.3577000     2.075000  
1 1 1 18 14 18 o 21.03000 1.116000  -3.841000      2.231000  
1 1 1 18 14 20 o 62.62000 1.269000  3.024000       2.538000  
1 1 1 18 14 22 o 30.19000 0.8311000 -2.777000      1.662000  
1 1 1 18 14 24 o 24.27000 0.9018000 0.1641000      1.804000  
1 1 1 18 14 26 o 22.62000 1.114000  2.829000       2.229000  
1 1 1 18 14 28 o 20.56000 1.242000  0.7964000      2.485000  
1 1 1 18 14 30 o 24.65000 1.210000  0.8059000      2.420000  
1 1 1 18 14 32 o 43.70000 1.481000  -0.3601000     2.962000  
1 1 1 18 14 34 o 14.69000 2.260000  2.389000       4.520000  
1 1 1 18 14 36 o 42.20000 1.222000  -1.045000      2.444000  
1 1 1 18 14 38 o 34.05000 1.264000  -1.248000      2.528000  
1 1 1 18 14 40 o 19.34000 2.224000  1.214000       4.447000  
1 1 1 18 14 42 o 11.96000 3.286000  1.143000       6.571000  
1 1 1 18 15 1  o 79.10000 1.155000  0.9960000      2.309000  
1 1 1 18 15 3  o 52.54000 0.9621000 4.112000       1.924000  
1 1 1 18 15 5  o 14.84000 1.608000  -1.736000      3.216000  
1 1 1 18 15 7  o 24.15000 1.095000  2.714000       2.189000  
1 1 1 18 15 9  o 28.55000 0.9606000 3.454000       1.921000  
1 1 1 18 15 11 o 66.24000 1.053000  -0.1904000     2.105000  
1 1 1 18 15 13 o 7.604000 2.027000  0.3955000      4.055000  
1 1 1 18 15 15 o 46.16000 1.019000  0.1511000      2.039000  
1 1 1 18 15 17 o 68.40000 1.155000  0.8969000      2.310000  
1 1 1 18 15 19 o 56.29000 1.113000  3.240000       2.227000  
1 1 1 18 15 21 f 48.90000 1.037000  0.8984000      2.075000  
1 1 1 18 15 23 o 63.11000 1.048000  3.355000       2.096000  
1 1 1 18 15 25 o 13.99000 1.392000  0.5795000      2.783000  
1 1 1 18 15 27 o 35.63000 1.041000  -0.9434000     2.081000  
1 1 1 18 15 29 o 30.39000 1.140000  -5.627000      2.279000  
1 1 1 18 15 31 o 42.08000 1.712000  ?              ?         
1 1 1 18 15 33 o 22.24000 1.893000  4.196000       3.787000  
1 1 1 18 15 35 o 17.90000 1.736000  2.250000       3.472000  
1 1 1 18 15 37 o 13.33000 2.016000  2.591000       4.031000  
1 1 1 18 15 39 o 39.35000 1.353000  2.393000       2.707000  
1 1 1 18 15 41 o 23.49000 3.672000  5.193000       7.345000  
1 1 1 18 16 0  f 39.53000 1.160000  0.000000       0.000000  
1 1 1 18 16 2  o 14.64000 2.311000  -2.262000      4.622000  
1 1 1 18 16 4  o 24.26000 1.330000  -1.784000      2.661000  
1 1 1 18 16 6  o 38.02000 1.044000  -1.022000      2.087000  
1 1 1 18 16 8  o 39.88000 0.9148000 -2.266000      1.830000  
1 1 1 18 16 10 o 39.22000 0.9864000 0.8163000E-03  1.973000  
1 1 1 18 16 12 o 52.84000 1.020000  -2.665000      2.039000  
1 1 1 18 16 14 o 46.66000 1.030000  -3.108000      2.061000  
1 1 1 18 16 16 o 25.66000 1.120000  -1.330000      2.240000  
1 1 1 18 16 18 o 35.83000 0.9874000 2.195000       1.975000  
1 1 1 18 16 20 o 27.77000 1.029000  1.569000       2.058000  
1 1 1 18 16 22 o 16.36000 1.331000  -2.702000      2.661000  
1 1 1 18 16 24 o 32.07000 0.9401000 -2.118000      1.880000  
1 1 1 18 16 26 o 29.02000 4.629000  -4.544000      9.258000  
1 1 1 18 16 28 o 43.71000 1.001000  1.994000       2.002000  
1 1 1 18 16 30 o 8.942000 2.419000  1.682000       4.839000  
1 1 1 18 16 32 o 33.01000 1.357000  3.390000       2.715000  
1 1 1 18 16 34 o 9.716000 2.199000  4.237000       4.397000  
1 1 1 18 16 36 o 27.47000 1.357000  3.103000       2.714000  
1 1 1 18 16 38 o 20.70000 1.787000  2.611000       3.573000  
1 1 1 18 16 40 o 10.90000 2.642000  0.5229000      5.284000  
1 1 1 18 17 1  o 97.68000 1.719000  -0.5175000     3.438000  
1 1 1 18 17 3  o 62.37000 1.073000  -2.235000      2.146000  
1 1 1 18 17 5  o 60.97000 1.041000  1.988000       2.082000  
1 1 1 18 17 7  f 34.69000 1.024000  -1.960000      2.047000  
1 1 1 18 17 9  o 36.62000 1.049000  0.2278000      2.098000  
1 1 1 18 17 11 o 43.88000 0.9944000 1.527000       1.989000  
1 1 1 18 17 13 f 27.94000 1.076000  0.9606000      2.151000  
1 1 1 18 17 15 o 31.43000 1.059000  0.2530000      2.117000  
1 1 1 18 17 17 o 69.21000 1.398000  -3.315000      2.796000  
1 1 1 18 17 19 o 21.99000 1.535000  -7.041000      3.070000  
1 1 1 18 17 21 o 73.15000 1.264000  0.3640000E-01  2.529000  
1 1 1 18 17 23 o 47.76000 1.024000  0.6341000E-01  2.048000  
1 1 1 18 17 25 o 14.36000 1.650000  -2.316000      3.300000  
1 1 1 18 17 27 o 19.47000 3.872000  -1.198000      7.745000  
1 1 1 18 17 29 o 5.100000 1.743000  -0.7331000     3.487000  
1 1 1 18 17 31 o 69.53000 1.399000  ?              ?         
1 1 1 18 17 33 o 25.22000 4.093000  -5.610000      8.187000  
1 1 1 18 17 35 o 26.34000 1.315000  0.6875000      2.631000  
1 1 1 18 17 37 o 20.47000 1.468000  1.025000       2.935000  
1 1 1 18 17 39 o 14.10000 3.391000  -5.658000      6.782000  
1 1 1 18 17 41 o 16.04000 5.997000  ?              ?         
1 1 1 18 18 0  o 38.44000 1.579000  0.000000       0.000000  
1 1 1 18 18 2  o 104.1000 1.462000  -3.118000      2.923000  
1 1 1 18 18 4  o 56.26000 1.036000  -1.014000      2.073000  
1 1 1 18 18 6  f 98.25000 1.402000  1.721000       2.805000  
1 1 1 18 18 8  o 60.53000 1.094000  2.165000       2.187000  
1 1 1 18 18 10 o 49.18000 1.059000  -3.165000      2.118000  
1 1 1 18 18 12 o 43.78000 1.886000  -7.115000      3.771000  
1 1 1 18 18 14 o 54.89000 1.079000  -3.526000      2.158000  
1 1 1 18 18 16 f 38.85000 1.004000  -2.041000      2.007000  
1 1 1 18 18 18 o 66.62000 1.200000  2.660000       2.401000  
1 1 1 18 18 20 o 43.58000 1.056000  -1.587000      2.112000  
1 1 1 18 18 22 o 31.30000 0.9981000 0.7226000      1.996000  
1 1 1 18 18 24 o 41.20000 1.036000  -1.275000      2.072000  
1 1 1 18 18 26 o 32.42000 1.063000  1.097000       2.127000  
1 1 1 18 18 28 o 8.884000 3.128000  6.146000       6.255000  
1 1 1 18 18 30 o 52.56000 1.365000  0.2297000      2.730000  
1 1 1 18 18 32 o 62.19000 2.533000  -15.25000      5.066000  
1 1 1 18 18 34 o 28.85000 4.408000  -8.842000      8.816000  
1 1 1 18 18 36 o 17.31000 3.442000  -2.260000      6.883000  
1 1 1 18 18 38 o 11.09000 2.543000  -3.851000      5.087000  
1 1 1 18 18 40 o 14.62000 3.492000  6.538000       6.983000  
1 1 1 18 19 1  o 18.07000 1.911000  1.046000       3.821000  
1 1 1 18 19 3  f 18.13000 1.789000  -0.8275000     3.577000  
1 1 1 18 19 5  f 43.97000 1.094000  3.957000       2.188000  
1 1 1 18 19 7  o 81.60000 1.252000  0.1220000      2.503000  
1 1 1 18 19 9  o 18.72000 1.584000  4.726000       3.169000  
1 1 1 18 19 11 o 53.31000 1.046000  -2.045000      2.092000  
1 1 1 18 19 13 o 62.31000 1.091000  -3.417000      2.183000  
1 1 1 18 19 15 o 74.74000 1.214000  -0.3088000     2.428000  
1 1 1 18 19 17 o 26.81000 1.163000  -0.6359000     2.326000  
1 1 1 18 19 19 o 26.35000 1.211000  -2.661000      2.421000  
1 1 1 18 19 21 o 34.36000 1.040000  1.444000       2.079000  
1 1 1 18 19 23 f 23.80000 1.149000  -1.407000      2.298000  
1 1 1 18 19 25 o 38.18000 1.042000  -2.054000      2.084000  
1 1 1 18 19 27 o 7.700000 2.693000  3.702000       5.385000  
1 1 1 18 19 29 o 25.56000 1.586000  -6.728000      3.171000  
1 1 1 18 19 31 o 43.21000 1.100000  -0.6229000     2.200000  
1 1 1 18 19 33 o 13.45000 3.797000  8.149000       7.595000  
1 1 1 18 19 35 o 20.94000 3.683000  -3.733000      7.366000  
1 1 1 18 19 37 o 9.932000 2.714000  -1.287000      5.428000  
1 1 1 18 19 39 o 25.38000 2.108000  -1.226000      4.215000  
1 1 1 18 20 0  o 39.74000 1.794000  0.000000       0.000000  
1 1 1 18 20 2  o 42.71000 1.093000  1.095000       2.186000  
1 1 1 18 20 4  o 12.14000 2.804000  2.083000       5.608000  
1 1 1 18 20 6  o 55.48000 1.089000  1.500000       2.178000  
1 1 1 18 20 8  o 22.07000 1.399000  2.064000       2.798000  
1 1 1 18 20 10 o 56.61000 1.091000  0.7349000      2.183000  
1 1 1 18 20 12 o 47.79000 1.071000  0.4161000      2.142000  
1 1 1 18 20 14 o 32.48000 1.154000  2.061000       2.308000  
1 1 1 18 20 16 o 60.46000 1.190000  0.8798000      2.380000  
1 1 1 18 20 18 f 21.52000 1.341000  1.998000       2.682000  
1 1 1 18 20 20 o 47.06000 1.102000  3.610000       2.204000  
1 1 1 18 20 22 o 37.77000 1.052000  0.4374000      2.104000  
1 1 1 18 20 24 o 26.73000 1.145000  -0.7601000     2.290000  
1 1 1 18 20 26 o 29.17000 1.263000  3.819000       2.527000  
1 1 1 18 20 28 o 75.26000 1.657000  -3.031000      3.314000  
1 1 1 18 20 30 o 57.29000 1.268000  0.6693000      2.537000  
1 1 1 18 20 32 o 15.49000 1.667000  3.325000       3.334000  
1 1 1 18 20 34 o 14.93000 3.508000  3.641000       7.016000  
1 1 1 18 20 36 o 13.56000 3.694000  6.457000       7.388000  
1 1 1 18 20 38 o 6.780000 2.216000  -0.2411000     4.432000  
1 1 1 18 21 1  o 38.61000 1.023000  1.024000       2.047000  
1 1 1 18 21 3  o 35.05000 1.265000  0.4403000      2.529000  
1 1 1 18 21 5  o 84.03000 1.563000  0.3725000      3.125000  
1 1 1 18 21 7  o 46.27000 1.075000  4.018000       2.150000  
1 1 1 18 21 9  o 58.21000 1.095000  3.202000       2.189000  
1 1 1 18 21 11 o 59.96000 1.100000  -0.7979000     2.199000  
1 1 1 18 21 13 o 68.17000 1.167000  2.037000       2.334000  
1 1 1 18 21 15 o 24.18000 1.396000  -3.097000      2.791000  
1 1 1 18 21 17 o 68.25000 1.381000  -5.862000      2.762000  
1 1 1 18 21 19 o 16.41000 1.790000  -2.664000      3.580000  
1 1 1 18 21 21 o 20.84000 1.343000  1.458000       2.686000  
1 1 1 18 21 23 f 45.23000 1.134000  1.056000       2.267000  
1 1 1 18 21 25 o 70.71000 1.426000  1.235000       2.853000  
1 1 1 18 21 27 o 54.95000 1.340000  -3.400000      2.680000  
1 1 1 18 21 29 o 10.85000 2.883000  0.3262000      5.767000  
1 1 1 18 21 31 o 38.07000 1.110000  0.8588000      2.221000  
1 1 1 18 21 33 o 28.83000 1.053000  0.3838000      2.106000  
1 1 1 18 21 35 o 17.97000 3.302000  -4.327000      6.604000  
1 1 1 18 21 37 o 8.104000 2.545000  0.1939000      5.090000  
1 1 1 18 22 0  o 15.11000 3.015000  0.000000       0.000000  
1 1 1 18 22 2  o 33.96000 1.117000  -0.4999000     2.234000  
1 1 1 18 22 4  o 23.48000 1.406000  -0.9251000     2.812000  
1 1 1 18 22 6  o 48.26000 1.557000  6.497000       3.113000  
1 1 1 18 22 8  o 48.72000 1.156000  -4.274000      2.313000  
1 1 1 18 22 10 o 35.21000 1.238000  4.385000       2.476000  
1 1 1 18 22 12 o 40.54000 1.137000  -3.156000      2.274000  
1 1 1 18 22 14 o 31.49000 1.239000  0.6252000      2.478000  
1 1 1 18 22 16 o 51.92000 1.129000  4.004000       2.258000  
1 1 1 18 22 18 o 26.86000 1.382000  -1.427000      2.765000  
1 1 1 18 22 20 o 30.17000 1.167000  2.256000       2.334000  
1 1 1 18 22 22 o 31.56000 1.208000  -0.7079000E-01 2.415000  
1 1 1 18 22 24 o 24.35000 1.499000  -3.744000      2.999000  
1 1 1 18 22 26 o 22.27000 2.408000  -0.2721000     4.817000  
1 1 1 18 22 28 o 17.53000 1.826000  1.600000       3.653000  
1 1 1 18 22 30 o 49.39000 1.254000  -2.751000      2.508000  
1 1 1 18 22 32 o 16.27000 1.717000  -3.326000      3.434000  
1 1 1 18 22 34 o 29.41000 1.139000  1.945000       2.278000  
1 1 1 18 22 36 o 7.864000 2.575000  6.724000       5.150000  
1 1 1 18 22 38 o 8.383000 3.629000  ?              ?         
1 1 1 18 23 1  o 13.03000 2.407000  0.7737000      4.815000  
1 1 1 18 23 3  o 31.08000 1.210000  -2.875000      2.420000  
1 1 1 18 23 5  o 57.14000 1.102000  3.207000       2.204000  
1 1 1 18 23 7  o 38.55000 1.849000  -0.1271000     3.698000  
1 1 1 18 23 9  o 53.59000 1.171000  -1.139000      2.343000  
1 1 1 18 23 11 o 49.29000 1.186000  2.597000       2.373000  
1 1 1 18 23 13 o 34.75000 1.149000  2.028000       2.297000  
1 1 1 18 23 15 o 40.44000 1.105000  2.968000       2.210000  
1 1 1 18 23 17 o 44.53000 1.219000  0.5884000      2.437000  
1 1 1 18 23 19 o 20.44000 1.588000  1.528000       3.176000  
1 1 1 18 23 21 o 9.080000 2.424000  1.441000       4.849000  
1 1 1 18 23 23 o 32.90000 1.355000  -0.8308000     2.710000  
1 1 1 18 23 25 o 65.28000 2.050000  -6.564000      4.100000  
1 1 1 18 23 27 o 36.25000 3.649000  -10.29000      7.297000  
1 1 1 18 23 29 o 35.57000 1.295000  2.665000       2.589000  
1 1 1 18 23 31 o 16.32000 3.788000  9.376000       7.577000  
1 1 1 18 23 33 o 13.43000 1.993000  -1.775000      3.985000  
1 1 1 18 23 35 o 19.66000 1.875000  0.2008000      3.749000  
1 1 1 18 23 37 o 10.28000 3.187000  0.7980000E-01  6.375000  
1 1 1 18 24 0  o 22.75000 2.283000  0.000000       0.000000  
1 1 1 18 24 2  o 74.50000 1.298000  -0.4488000     2.596000  
1 1 1 18 24 4  o 28.09000 1.512000  1.543000       3.025000  
1 1 1 18 24 6  o 9.989000 2.628000  -0.3836000     5.256000  
1 1 1 18 24 8  o 22.99000 3.656000  -0.5384000     7.313000  
1 1 1 18 24 10 o 74.26000 1.285000  -1.603000      2.569000  
1 1 1 18 24 12 o 46.09000 1.200000  3.955000       2.401000  
1 1 1 18 24 14 o 28.47000 1.470000  -0.4169000     2.940000  
1 1 1 18 24 16 o 29.66000 1.327000  -0.5046000     2.655000  
1 1 1 18 24 18 o 44.53000 1.178000  1.852000       2.356000  
1 1 1 18 24 20 o 10.99000 2.356000  -2.368000      4.712000  
1 1 1 18 24 22 o 6.902000 2.262000  1.391000       4.524000  
1 1 1 18 24 24 o 67.35000 2.079000  1.295000       4.159000  
1 1 1 18 24 26 o 29.97000 1.481000  2.502000       2.961000  
1 1 1 18 24 28 o 12.66000 2.318000  -3.636000      4.636000  
1 1 1 18 24 30 o 19.87000 3.917000  4.331000       7.834000  
1 1 1 18 24 32 o 9.126000 2.294000  0.6651000      4.588000  
1 1 1 18 24 34 o 10.72000 2.251000  4.459000       4.501000  
1 1 1 18 24 36 o 34.01000 1.422000  -1.904000      2.845000  
1 1 1 18 25 1  o 57.32000 1.068000  0.5859000      2.137000  
1 1 1 18 25 3  o 47.35000 1.130000  1.769000       2.259000  
1 1 1 18 25 5  o 51.35000 1.098000  1.482000       2.195000  
1 1 1 18 25 7  o 37.98000 1.167000  -1.255000      2.335000  
1 1 1 18 25 9  o 22.49000 3.212000  -0.2243000     6.425000  
1 1 1 18 25 11 o 51.19000 1.200000  1.234000       2.400000  
1 1 1 18 25 13 o 50.21000 1.230000  -2.312000      2.460000  
1 1 1 18 25 15 o 47.66000 1.527000  0.1976000E-01  3.054000  
1 1 1 18 25 17 o 55.14000 1.249000  2.728000       2.498000  
1 1 1 18 25 19 o 41.89000 1.252000  2.213000       2.503000  
1 1 1 18 25 21 o 29.88000 1.677000  3.441000       3.353000  
1 1 1 18 25 23 o 33.82000 1.652000  0.2566000      3.303000  
1 1 1 18 25 25 o 29.43000 1.743000  -0.8610000     3.486000  
1 1 1 18 25 27 o 25.60000 1.503000  -5.377000      3.007000  
1 1 1 18 25 29 o 20.35000 3.509000  -7.129000      7.018000  
1 1 1 18 25 31 o 14.16000 3.676000  1.051000       7.351000  
1 1 1 18 25 33 o 12.57000 2.605000  -2.521000      5.209000  
1 1 1 18 25 35 o 30.39000 1.175000  -4.726000      2.350000  
1 1 1 18 26 0  o 15.33000 3.357000  0.000000       0.000000  
1 1 1 18 26 2  o 17.35000 2.213000  -1.942000      4.426000  
1 1 1 18 26 4  f 41.52000 1.175000  -1.796000      2.351000  
1 1 1 18 26 6  o 38.69000 1.201000  -0.9005000     2.402000  
1 1 1 18 26 8  o 10.12000 2.712000  -1.988000      5.425000  
1 1 1 18 26 10 o 61.82000 1.752000  2.440000       3.505000  
1 1 1 18 26 12 o 69.88000 2.361000  -2.740000      4.722000  
1 1 1 18 26 14 o 52.61000 1.527000  -4.403000      3.053000  
1 1 1 18 26 16 o 42.00000 1.395000  0.4244000      2.789000  
1 1 1 18 26 18 o 56.14000 1.388000  -1.976000      2.775000  
1 1 1 18 26 20 o 21.54000 2.464000  -4.622000      4.928000  
1 1 1 18 26 22 o 42.97000 3.737000  -10.43000      7.475000  
1 1 1 18 26 24 f 50.64000 1.450000  -2.878000      2.900000  
1 1 1 18 26 26 f 49.94000 1.271000  -3.767000      2.542000  
1 1 1 18 26 28 o 10.99000 2.680000  -4.260000      5.360000  
1 1 1 18 26 30 o 10.42000 2.841000  -2.881000      5.681000  
1 1 1 18 26 32 o 16.81000 2.917000  -8.790000      5.834000  
1 1 1 18 26 34 o 26.46000 1.217000  -1.955000      2.434000  
1 1 1 18 27 1  o 49.25000 1.147000  1.182000       2.293000  
1 1 1 18 27 3  o 55.78000 1.123000  2.405000       2.245000  
1 1 1 18 27 5  o 14.53000 2.584000  2.735000       5.168000  
1 1 1 18 27 7  o 53.25000 1.232000  -1.341000      2.465000  
1 1 1 18 27 9  o 51.59000 1.259000  -1.071000      2.518000  
1 1 1 18 27 11 o 19.72000 2.776000  0.6140000      5.552000  
1 1 1 18 27 13 o 63.83000 1.907000  5.730000       3.813000  
1 1 1 18 27 15 o 58.15000 1.383000  -4.104000      2.765000  
1 1 1 18 27 17 o 73.34000 1.578000  -0.3777000     3.156000  
1 1 1 18 27 19 o 12.93000 3.366000  6.349000       6.732000  
1 1 1 18 27 21 o 12.89000 4.260000  13.86000       8.520000  
1 1 1 18 27 23 o 13.45000 3.280000  -1.735000      6.560000  
1 1 1 18 27 25 o 16.86000 2.885000  -1.672000      5.769000  
1 1 1 18 27 27 o 18.40000 2.857000  2.275000       5.715000  
1 1 1 18 27 29 o 26.01000 3.675000  -6.972000      7.349000  
1 1 1 18 27 31 o 10.22000 2.285000  -2.638000      4.569000  
1 1 1 18 27 33 o 20.67000 2.019000  -2.683000      4.038000  
1 1 1 18 28 0  o 67.83000 2.013000  0.000000       0.000000  
1 1 1 18 28 2  o 25.16000 2.209000  -1.386000      4.419000  
1 1 1 18 28 4  o 45.14000 1.998000  1.577000       3.996000  
1 1 1 18 28 6  o 30.10000 1.559000  -2.521000      3.118000  
1 1 1 18 28 8  o 35.82000 1.257000  -1.290000      2.513000  
1 1 1 18 28 10 o 17.88000 2.557000  2.285000       5.114000  
1 1 1 18 28 12 o 22.23000 2.999000  -13.32000      5.998000  
1 1 1 18 28 14 o 20.52000 4.671000  5.139000       9.341000  
1 1 1 18 28 16 o 38.04000 2.038000  3.233000       4.076000  
1 1 1 18 28 18 o 47.86000 2.753000  1.456000       5.507000  
1 1 1 18 28 20 o 17.08000 4.565000  12.27000       9.130000  
1 1 1 18 28 22 o 25.54000 2.403000  1.760000       4.807000  
1 1 1 18 28 24 f 20.23000 2.833000  0.9915000      5.665000  
1 1 1 18 28 26 o 26.98000 1.723000  0.1431000      3.447000  
1 1 1 18 28 28 o 8.053000 2.463000  2.229000       4.926000  
1 1 1 18 28 30 o 13.01000 2.347000  -3.402000      4.693000  
1 1 1 18 28 32 o 20.03000 1.919000  -2.233000      3.837000  
1 1 1 18 29 1  o 22.40000 2.426000  3.768000       4.853000  
1 1 1 18 29 3  f 44.61000 1.397000  -0.5718000     2.795000  
1 1 1 18 29 5  o 45.72000 1.883000  -8.108000      3.766000  
1 1 1 18 29 7  o 36.30000 1.743000  -2.494000      3.486000  
1 1 1 18 29 9  o 41.45000 1.807000  -5.215000      3.613000  
1 1 1 18 29 11 o 11.64000 3.309000  2.476000       6.617000  
1 1 1 18 29 13 o 21.96000 3.313000  -0.7290000E-01 6.626000  
1 1 1 18 29 15 o 20.89000 5.427000  9.269000       10.85000  
1 1 1 18 29 17 o 39.52000 1.885000  -0.1932000     3.771000  
1 1 1 18 29 19 o 36.73000 2.790000  0.7019000      5.579000  
1 1 1 18 29 21 o 54.10000 1.519000  0.1400000      3.039000  
1 1 1 18 29 23 o 25.15000 1.762000  -4.332000      3.524000  
1 1 1 18 29 25 o 8.662000 2.570000  2.895000       5.140000  
1 1 1 18 29 27 o 8.152000 2.497000  -0.1882000     4.993000  
1 1 1 18 29 29 o 14.73000 2.311000  -5.019000      4.623000  
1 1 1 18 29 31 f 23.16000 1.728000  0.6038000      3.455000  
1 1 1 18 30 0  o 71.51000 2.029000  0.000000       0.000000  
1 1 1 18 30 2  o 32.73000 1.650000  1.793000       3.300000  
1 1 1 18 30 4  o 53.97000 1.382000  -0.4781000     2.765000  
1 1 1 18 30 6  o 11.10000 3.084000  0.1151000      6.169000  
1 1 1 18 30 8  o 28.10000 2.227000  2.753000       4.454000  
1 1 1 18 30 10 o 10.78000 3.268000  0.5866000      6.537000  
1 1 1 18 30 12 o 22.00000 4.044000  1.789000       8.088000  
1 1 1 18 30 14 o 63.48000 1.741000  -6.731000      3.482000  
1 1 1 18 30 16 o 9.179000 3.015000  -2.315000      6.029000  
1 1 1 18 30 18 o 18.32000 3.152000  -4.952000      6.303000  
1 1 1 18 30 20 o 19.15000 2.820000  0.6417000      5.639000  
1 1 1 18 30 22 o 27.24000 1.985000  -0.9987000     3.971000  
1 1 1 18 30 24 o 40.65000 1.528000  -3.896000      3.055000  
1 1 1 18 30 26 f 13.84000 2.941000  -0.9910000     5.881000  
1 1 1 18 30 28 o 12.63000 2.414000  -7.427000      4.828000  
1 1 1 18 30 30 o 23.62000 2.860000  -1.061000      5.720000  
1 1 1 18 31 1  f 17.75000 3.169000  2.209000       6.339000  
1 1 1 18 31 3  o 12.71000 3.272000  -3.398000      6.544000  
1 1 1 18 31 5  o 14.58000 3.445000  2.612000       6.889000  
1 1 1 18 31 7  f 15.20000 4.026000  -6.726000      8.052000  
1 1 1 18 31 9  f 8.841000 4.425000  ?              ?         
1 1 1 18 31 11 o 59.78000 2.324000  -1.898000      4.648000  
1 1 1 18 31 13 o 23.64000 3.610000  10.18000       7.221000  
1 1 1 18 31 15 o 20.00000 2.569000  -6.180000      5.138000  
1 1 1 18 31 17 o 26.35000 5.571000  -1.046000      11.14000  
1 1 1 18 31 19 o 13.16000 3.036000  2.584000       6.071000  
1 1 1 18 31 21 o 15.95000 3.000000  3.431000       5.999000  
1 1 1 18 31 23 o 11.88000 2.956000  0.7444000      5.912000  
1 1 1 18 31 25 o 18.69000 2.556000  -2.007000      5.111000  
1 1 1 18 31 27 o 7.991000 2.455000  0.5152000E-01  4.910000  
1 1 1 18 31 29 o 35.90000 1.956000  -3.291000      3.913000  
1 1 1 18 32 0  o 7.318000 3.635000  0.000000       0.000000  
1 1 1 18 32 2  o 23.98000 3.351000  3.054000       6.702000  
1 1 1 18 32 4  o 8.700000 2.954000  -0.1262000     5.909000  
1 1 1 18 32 6  o 64.32000 2.160000  -1.719000      4.321000  
1 1 1 18 32 8  o 70.75000 1.748000  9.557000       3.496000  
1 1 1 18 32 12 o 10.76000 2.915000  -4.998000      5.831000  
1 1 1 18 32 14 o 36.99000 1.953000  2.601000       3.906000  
1 1 1 18 32 16 o 15.37000 3.064000  -0.4900000     6.127000  
1 1 1 18 32 18 o 46.30000 1.692000  -6.014000      3.384000  
1 1 1 18 32 20 o 20.31000 4.973000  6.294000       9.945000  
1 1 1 18 32 22 o 25.76000 2.380000  -3.801000      4.760000  
1 1 1 18 32 24 o 16.58000 2.911000  -2.115000      5.821000  
1 1 1 18 32 26 o 15.29000 3.418000  -7.877000      6.837000  
1 1 1 18 32 28 o 39.84000 2.182000  -4.699000      4.364000  
1 1 1 18 33 1  o 23.57000 2.884000  1.887000       5.768000  
1 1 1 18 33 3  o 8.886000 2.905000  2.132000       5.810000  
1 1 1 18 33 5  o 6.638000 2.354000  0.6051000      4.707000  
1 1 1 18 33 7  o 13.69000 3.558000  -1.970000      7.117000  
1 1 1 18 33 9  o 23.25000 2.560000  3.788000       5.120000  
1 1 1 18 33 11 o 17.79000 4.132000  -2.305000      8.263000  
1 1 1 18 33 13 f 12.68000 3.478000  -4.617000      6.957000  
1 1 1 18 33 15 f 27.24000 2.468000  -2.431000      4.935000  
1 1 1 18 33 17 o 23.32000 2.640000  1.621000       5.281000  
1 1 1 18 33 19 o 13.25000 2.950000  -1.666000      5.900000  
1 1 1 18 33 21 o 14.93000 4.630000  7.148000       9.259000  
1 1 1 18 33 23 o 11.53000 3.168000  1.113000       6.336000  
1 1 1 18 33 25 o 8.789000 2.866000  1.811000       5.731000  
1 1 1 18 33 27 o 8.856000 2.904000  3.018000       5.808000  
1 1 1 18 34 0  o 7.165000 3.428000  0.000000       0.000000  
1 1 1 18 34 2  o 13.59000 2.917000  4.106000       5.833000  
1 1 1 18 34 4  o 16.59000 2.677000  0.4954000      5.354000  
1 1 1 18 34 6  o 21.86000 3.255000  -2.462000      6.510000  
1 1 1 18 34 8  o 14.67000 3.657000  -0.8836000     7.313000  
1 1 1 18 34 10 o 19.63000 3.291000  -16.51000      6.581000  
1 1 1 18 34 12 o 14.21000 3.538000  -0.5142000     7.076000  
1 1 1 18 34 14 o 13.84000 3.390000  -2.154000      6.781000  
1 1 1 18 34 16 o 29.10000 2.111000  4.306000       4.223000  
1 1 1 18 34 18 o 14.88000 3.174000  1.835000       6.349000  
1 1 1 18 34 20 o 27.99000 2.654000  -5.354000      5.308000  
1 1 1 18 34 22 o 12.01000 2.835000  -3.545000      5.671000  
1 1 1 18 34 24 o 7.088000 2.382000  -0.1475000E-01 4.763000  
1 1 1 18 34 26 o 8.969000 2.810000  3.205000       5.619000  
1 1 1 18 35 1  o 13.15000 3.713000  -2.482000      7.426000  
1 1 1 18 35 3  o 13.68000 3.456000  -4.946000      6.913000  
1 1 1 18 35 5  o 13.01000 3.531000  -0.8379000     7.062000  
1 1 1 18 35 7  o 17.52000 3.555000  2.486000       7.110000  
1 1 1 18 35 9  o 17.27000 3.387000  -3.086000      6.775000  
1 1 1 18 35 11 o 20.09000 2.977000  3.445000       5.954000  
1 1 1 18 35 13 o 21.96000 3.008000  2.493000       6.016000  
1 1 1 18 35 15 o 13.27000 3.446000  -2.178000      6.892000  
1 1 1 18 35 17 o 12.13000 3.404000  -1.406000      6.808000  
1 1 1 18 35 19 o 16.21000 2.608000  -8.590000      5.217000  
1 1 1 18 35 21 o 7.792000 2.543000  2.061000       5.087000  
1 1 1 18 35 23 o 34.07000 1.811000  -3.674000      3.622000  
1 1 1 18 36 0  o 16.25000 5.079000  0.000000       0.000000  
1 1 1 18 36 2  o 17.31000 3.128000  -1.341000      6.255000  
1 1 1 18 36 4  o 16.93000 3.486000  -3.960000      6.972000  
1 1 1 18 36 6  o 17.52000 3.334000  2.891000       6.668000  
1 1 1 18 36 8  o 33.99000 2.637000  8.004000       5.274000  
1 1 1 18 36 10 o 19.90000 3.699000  -0.9933000     7.398000  
1 1 1 18 36 12 o 22.25000 2.932000  0.7998000      5.864000  
1 1 1 18 36 14 f 38.28000 1.876000  -0.3771000     3.751000  
1 1 1 18 36 16 o 14.28000 3.538000  -4.448000      7.077000  
1 1 1 18 36 18 o 11.47000 3.292000  -1.600000      6.583000  
1 1 1 18 36 20 o 13.88000 2.982000  -3.218000      5.963000  
1 1 1 18 36 22 o 15.32000 3.077000  6.631000       6.154000  
1 1 1 18 37 1  o 26.81000 2.367000  -7.214000      4.733000  
1 1 1 18 37 3  o 31.16000 2.511000  -1.580000      5.023000  
1 1 1 18 37 5  o 21.97000 3.029000  -2.699000      6.059000  
1 1 1 18 37 7  o 10.92000 3.349000  -1.321000      6.697000  
1 1 1 18 37 9  o 18.75000 4.166000  -2.384000      8.332000  
1 1 1 18 37 11 f 16.17000 3.659000  0.6276000      7.319000  
1 1 1 18 37 13 o 14.37000 3.558000  -2.936000      7.115000  
1 1 1 18 37 15 f 12.37000 3.282000  -0.4895000     6.565000  
1 1 1 18 37 17 o 7.538000 2.567000  0.9406000E-01  5.134000  
1 1 1 18 37 19 o 31.89000 1.780000  2.765000       3.560000  
1 1 1 18 37 21 o 10.42000 4.351000  ?              ?         
1 1 1 18 38 0  o 30.19000 3.375000  0.000000       0.000000  
1 1 1 18 38 2  o 15.69000 3.709000  -5.975000      7.418000  
1 1 1 18 38 4  o 16.68000 3.915000  0.2817000      7.830000  
1 1 1 18 38 6  o 16.50000 3.842000  2.402000       7.685000  
1 1 1 18 38 8  o 16.43000 4.102000  -3.183000      8.203000  
1 1 1 18 38 10 o 15.04000 3.461000  -2.592000      6.921000  
1 1 1 18 38 12 o 10.79000 3.232000  -2.616000      6.464000  
1 1 1 18 38 14 f 9.252000 3.014000  -1.898000      6.029000  
1 1 1 18 38 16 o 17.59000 2.757000  -2.677000      5.514000  
1 1 1 18 38 18 o 7.710000 2.567000  -0.9471000     5.133000  
1 1 1 18 39 1  o 30.06000 2.395000  -1.414000      4.790000  
1 1 1 18 39 3  o 16.03000 3.529000  -5.529000      7.057000  
1 1 1 18 39 5  o 18.84000 3.432000  -7.132000      6.864000  
1 1 1 18 39 7  o 17.65000 3.591000  -2.943000      7.182000  
1 1 1 18 39 9  o 30.70000 2.460000  -8.226000      4.920000  
1 1 1 18 39 11 o 12.60000 3.536000  -1.043000      7.072000  
1 1 1 18 39 13 o 19.02000 2.787000  1.246000       5.575000  
1 1 1 18 39 15 o 14.60000 3.398000  4.462000       6.796000  
1 1 1 18 40 0  o 11.91000 4.866000  0.000000       0.000000  
1 1 1 18 40 2  o 14.09000 3.730000  -6.053000      7.460000  
1 1 1 18 40 4  o 24.42000 3.110000  -6.685000      6.220000  
1 1 1 18 40 6  o 10.02000 3.142000  -2.331000      6.284000  
1 1 1 18 40 8  o 7.957000 2.610000  -1.301000      5.220000  
1 1 1 18 40 10 o 37.62000 1.935000  2.115000       3.871000  
1 1 1 18 40 12 o 7.163000 2.447000  1.555000       4.894000  
1 1 1 18 41 1  o 35.61000 1.794000  -0.3309000     3.588000  
1 1 1 18 41 3  o 37.58000 1.520000  1.874000       3.040000  
1 1 1 18 41 5  o 31.15000 2.398000  -4.482000      4.795000  
1 1 1 18 41 7  o 7.858000 2.569000  2.333000       5.137000  
1 1 1 18 41 9  o 16.14000 6.456000  ?              ?         
1 1 1 19 0  1  o 9.422000 2.510000  0.000000       0.000000  
1 1 1 19 0  3  o 6.977000 2.679000  0.000000       0.000000  
1 1 1 19 0  5  o 9.463000 2.499000  0.000000       0.000000  
1 1 1 19 0  7  o 68.35000 1.544000  0.000000       0.000000  
1 1 1 19 0  9  o 58.26000 2.418000  0.000000       0.000000  
1 1 1 19 0  11 o 47.50000 1.004000  0.000000       0.000000  
1 1 1 19 0  13 o 31.10000 0.8731000 0.000000       0.000000  
1 1 1 19 0  15 o 14.93000 1.315000  0.000000       0.000000  
1 1 1 19 0  17 o 29.36000 0.9416000 0.000000       0.000000  
1 1 1 19 0  19 o 10.12000 2.120000  0.000000       0.000000  
1 1 1 19 0  21 o 19.24000 1.183000  0.000000       0.000000  
1 1 1 19 0  23 o 5.523000 2.264000  0.000000       0.000000  
1 1 1 19 0  25 o 21.45000 1.206000  0.000000       0.000000  
1 1 1 19 0  27 o 36.87000 1.513000  0.000000       0.000000  
1 1 1 19 0  29 o 7.353000 2.494000  0.000000       0.000000  
1 1 1 19 0  31 o 27.72000 1.203000  0.000000       0.000000  
1 1 1 19 0  33 o 8.654000 3.072000  0.000000       0.000000  
1 1 1 19 0  35 o 28.92000 1.720000  0.000000       0.000000  
1 1 1 19 0  37 o 6.793000 2.803000  0.000000       0.000000  
1 1 1 19 0  39 o 6.835000 2.812000  0.000000       0.000000  
1 1 1 19 0  41 o 10.11000 3.427000  0.000000       0.000000  
1 1 1 19 0  43 o 12.97000 3.166000  0.000000       0.000000  
1 1 1 19 1  0  o 77.55000 1.495000  0.000000       0.000000  
1 1 1 19 1  2  o 50.30000 0.8933000 -0.9919000     1.787000  
1 1 1 19 1  4  o 100.7000 1.522000  -0.6795000     3.045000  
1 1 1 19 1  6  o 16.63000 0.9783000 0.2515000      1.957000  
1 1 1 19 1  8  o 118.7000 1.777000  2.702000       3.555000  
1 1 1 19 1  10 o 92.69000 1.401000  0.7350000      2.803000  
1 1 1 19 1  12 o 93.37000 1.261000  -0.7175000E-01 2.521000  
1 1 1 19 1  14 o 57.13000 0.8002000 -2.981000      1.600000  
1 1 1 19 1  16 o 11.28000 1.290000  0.2532000      2.581000  
1 1 1 19 1  18 o 24.33000 0.7073000 0.4871000      1.415000  
1 1 1 19 1  20 o 11.02000 1.372000  0.6706000E-01  2.743000  
1 1 1 19 1  22 f 31.61000 0.7179000 0.1924000      1.436000  
1 1 1 19 1  24 o 63.05000 0.9158000 1.937000       1.832000  
1 1 1 19 1  26 f 39.96000 0.7991000 1.190000       1.598000  
1 1 1 19 1  28 o 42.54000 0.8378000 -0.7909000     1.676000  
1 1 1 19 1  30 o 71.36000 1.070000  -3.338000      2.141000  
1 1 1 19 1  32 o 49.60000 0.9601000 -0.7293000     1.920000  
1 1 1 19 1  34 o 50.14000 1.181000  1.954000       2.362000  
1 1 1 19 1  36 o 43.26000 1.001000  -1.923000      2.001000  
1 1 1 19 1  38 o 12.01000 1.898000  -0.8290000     3.795000  
1 1 1 19 1  40 o 33.34000 1.213000  2.625000       2.426000  
1 1 1 19 1  42 o 8.416000 2.057000  -0.6137000     4.115000  
1 1 1 19 2  1  o 72.79000 1.081000  0.5751000      2.163000  
1 1 1 19 2  3  o 63.75000 1.033000  0.5164000      2.066000  
1 1 1 19 2  5  o 114.3000 1.603000  -0.8658000     3.205000  
1 1 1 19 2  7  o 16.25000 1.146000  0.2195000      2.293000  
1 1 1 19 2  9  o 15.88000 1.193000  -0.1927000     2.386000  
1 1 1 19 2  11 o 109.8000 1.474000  -2.492000      2.948000  
1 1 1 19 2  13 o 74.96000 1.034000  1.239000       2.068000  
1 1 1 19 2  15 o 105.8000 1.381000  0.2060000      2.762000  
1 1 1 19 2  17 o 46.27000 0.7208000 -0.2744000     1.442000  
1 1 1 19 2  19 o 70.37000 0.9676000 1.337000       1.935000  
1 1 1 19 2  21 o 58.22000 0.8456000 -1.261000      1.691000  
1 1 1 19 2  23 o 50.26000 0.7918000 1.687000       1.584000  
1 1 1 19 2  25 o 57.09000 0.8793000 0.4170000      1.759000  
1 1 1 19 2  27 o 51.61000 0.8561000 -0.5776000     1.712000  
1 1 1 19 2  29 o 69.65000 1.026000  0.2871000      2.052000  
1 1 1 19 2  31 o 30.70000 0.8209000 -0.2180000     1.642000  
1 1 1 19 2  33 o 14.09000 1.849000  3.736000       3.697000  
1 1 1 19 2  35 o 21.51000 1.522000  -0.5646000     3.043000  
1 1 1 19 2  37 o 17.85000 1.391000  -0.8920000     2.782000  
1 1 1 19 2  39 o 19.04000 1.423000  3.537000       2.846000  
1 1 1 19 2  41 o 18.12000 1.509000  -2.304000      3.019000  
1 1 1 19 2  43 o 24.15000 1.374000  -3.134000      2.748000  
1 1 1 19 3  0  o 28.47000 1.258000  0.000000       0.000000  
1 1 1 19 3  2  o 106.6000 1.609000  -2.599000      3.218000  
1 1 1 19 3  4  o 87.37000 1.339000  0.5815000E-01  2.678000  
1 1 1 19 3  6  o 62.99000 0.9585000 -0.1946000     1.917000  
1 1 1 19 3  8  o 53.08000 0.9629000 -0.5897000     1.926000  
1 1 1 19 3  10 o 65.55000 1.042000  0.1379000      2.083000  
1 1 1 19 3  12 o 38.51000 0.6842000 -1.580000      1.368000  
1 1 1 19 3  14 o 8.181000 1.615000  -0.3732000     3.230000  
1 1 1 19 3  16 o 12.41000 1.150000  -2.092000      2.300000  
1 1 1 19 3  18 o 56.60000 0.8246000 -0.3380000     1.649000  
1 1 1 19 3  20 o 82.72000 1.106000  0.9472000      2.211000  
1 1 1 19 3  22 o 69.78000 0.9686000 -0.9729000     1.937000  
1 1 1 19 3  24 o 39.35000 0.7791000 -0.4429000     1.558000  
1 1 1 19 3  26 o 39.27000 0.9166000 3.320000       1.833000  
1 1 1 19 3  28 o 11.40000 1.560000  2.038000       3.119000  
1 1 1 19 3  30 o 44.42000 0.8530000 1.122000       1.706000  
1 1 1 19 3  32 o 32.88000 0.8948000 -2.411000      1.790000  
1 1 1 19 3  34 o 63.32000 1.041000  -1.120000      2.083000  
1 1 1 19 3  36 o 13.98000 1.670000  -0.4109000     3.340000  
1 1 1 19 3  38 o 22.34000 1.274000  1.393000       2.549000  
1 1 1 19 3  40 o 28.87000 1.043000  5.207000       2.086000  
1 1 1 19 3  42 o 12.93000 3.561000  5.673000       7.123000  
1 1 1 19 4  1  o 82.16000 1.281000  2.731000       2.562000  
1 1 1 19 4  3  o 46.45000 0.8522000 0.8608000      1.704000  
1 1 1 19 4  5  o 79.80000 1.304000  -1.663000      2.609000  
1 1 1 19 4  7  o 87.22000 1.920000  -3.874000      3.840000  
1 1 1 19 4  9  o 14.49000 1.227000  -1.870000      2.454000  
1 1 1 19 4  11 o 8.513000 1.542000  -0.4294000     3.083000  
1 1 1 19 4  13 f 54.15000 0.8070000 -3.594000      1.614000  
1 1 1 19 4  15 o 49.56000 0.7803000 -0.5912000     1.561000  
1 1 1 19 4  17 o 21.20000 0.7871000 2.516000       1.574000  
1 1 1 19 4  19 o 27.03000 0.7057000 1.272000       1.411000  
1 1 1 19 4  21 f 29.77000 0.6990000 0.4275000      1.398000  
1 1 1 19 4  23 o 44.54000 0.8079000 2.317000       1.616000  
1 1 1 19 4  25 o 46.00000 0.7893000 -2.576000      1.579000  
1 1 1 19 4  27 o 31.86000 0.7939000 1.943000       1.588000  
1 1 1 19 4  29 o 35.96000 0.9245000 0.8995000      1.849000  
1 1 1 19 4  31 o 12.68000 1.481000  0.6549000      2.962000  
1 1 1 19 4  33 o 36.10000 1.027000  -0.5710000     2.054000  
1 1 1 19 4  35 o 14.02000 2.197000  4.293000       4.394000  
1 1 1 19 4  37 o 29.86000 1.045000  5.019000       2.090000  
1 1 1 19 4  39 o 24.26000 1.912000  7.190000       3.823000  
1 1 1 19 4  41 o 13.71000 1.741000  -0.8148000     3.482000  
1 1 1 19 4  43 o 31.33000 2.321000  5.817000       4.642000  
1 1 1 19 5  0  o 51.94000 1.319000  0.000000       0.000000  
1 1 1 19 5  2  o 71.77000 1.267000  0.5741000      2.533000  
1 1 1 19 5  4  o 57.35000 1.352000  -1.050000      2.703000  
1 1 1 19 5  6  o 66.76000 1.148000  -1.910000      2.297000  
1 1 1 19 5  8  o 13.76000 1.295000  -1.443000      2.589000  
1 1 1 19 5  10 o 77.15000 1.108000  1.800000       2.216000  
1 1 1 19 5  12 o 42.12000 0.7046000 -1.121000      1.409000  
1 1 1 19 5  14 o 55.40000 0.8314000 -1.288000      1.663000  
1 1 1 19 5  16 o 30.85000 0.6855000 -3.131000      1.371000  
1 1 1 19 5  18 o 34.26000 0.7062000 0.8783000      1.412000  
1 1 1 19 5  20 o 49.05000 0.7734000 0.5178000E-01  1.547000  
1 1 1 19 5  22 o 104.1000 1.369000  1.526000       2.737000  
1 1 1 19 5  24 o 26.26000 0.8684000 1.387000       1.737000  
1 1 1 19 5  26 o 46.00000 0.8099000 -0.7735000E-01 1.620000  
1 1 1 19 5  28 o 17.52000 1.079000  1.026000       2.157000  
1 1 1 19 5  30 o 10.45000 1.714000  -2.102000      3.427000  
1 1 1 19 5  32 o 21.50000 1.470000  -0.7840000     2.940000  
1 1 1 19 5  34 o 39.51000 1.252000  0.9043000      2.504000  
1 1 1 19 5  36 o 11.06000 2.238000  0.1395000E-01  4.475000  
1 1 1 19 5  38 o 19.34000 1.394000  2.587000       2.788000  
1 1 1 19 5  40 o 20.36000 1.478000  0.1260000      2.957000  
1 1 1 19 5  42 f 12.35000 2.178000  -8.441000      4.356000  
1 1 1 19 6  1  o 111.1000 1.571000  2.786000       3.141000  
1 1 1 19 6  3  o 55.02000 1.043000  -4.846000      2.085000  
1 1 1 19 6  5  o 24.71000 0.8833000 -2.159000      1.767000  
1 1 1 19 6  7  o 28.72000 0.8564000 0.3244000E-01  1.713000  
1 1 1 19 6  9  o 47.05000 0.7830000 0.5646000      1.566000  
1 1 1 19 6  11 o 68.56000 0.9718000 -2.702000      1.944000  
1 1 1 19 6  13 o 132.2000 1.757000  2.868000       3.513000  
1 1 1 19 6  15 o 104.4000 1.405000  2.646000       2.810000  
1 1 1 19 6  17 o 26.48000 0.7256000 0.7587000      1.451000  
1 1 1 19 6  19 o 75.01000 1.060000  -0.9657000     2.119000  
1 1 1 19 6  21 o 82.14000 1.113000  3.663000       2.226000  
1 1 1 19 6  23 o 64.74000 0.9288000 -1.861000      1.858000  
1 1 1 19 6  25 o 34.29000 0.7462000 0.1377000      1.492000  
1 1 1 19 6  27 o 26.07000 0.8196000 1.406000       1.639000  
1 1 1 19 6  29 o 43.02000 0.9355000 -3.092000      1.871000  
1 1 1 19 6  31 o 34.48000 0.9278000 -0.2688000     1.856000  
1 1 1 19 6  33 f 27.71000 1.424000  -1.977000      2.847000  
1 1 1 19 6  35 o 28.27000 1.354000  0.2059000E-01  2.709000  
1 1 1 19 6  37 o 8.891000 2.255000  0.9294000      4.511000  
1 1 1 19 6  39 o 19.09000 1.524000  0.7454000      3.048000  
1 1 1 19 6  41 o 10.60000 2.376000  1.149000       4.752000  
1 1 1 19 6  43 o 17.22000 5.115000  1.350000       10.23000  
1 1 1 19 7  0  f 33.26000 1.272000  0.000000       0.000000  
1 1 1 19 7  2  o 26.25000 0.9989000 -1.905000      1.998000  
1 1 1 19 7  4  o 10.64000 1.748000  -0.2283000     3.497000  
1 1 1 19 7  6  o 50.96000 1.114000  1.108000       2.229000  
1 1 1 19 7  8  o 103.0000 1.456000  -1.053000      2.912000  
1 1 1 19 7  10 o 109.4000 1.537000  -0.2190000     3.074000  
1 1 1 19 7  12 f 51.13000 0.8764000 0.3496000      1.753000  
1 1 1 19 7  14 o 26.22000 0.7642000 1.803000       1.528000  
1 1 1 19 7  16 o 35.53000 0.7168000 1.629000       1.434000  
1 1 1 19 7  18 o 49.78000 0.7946000 1.121000       1.589000  
1 1 1 19 7  20 o 28.92000 0.7157000 -0.3297000     1.431000  
1 1 1 19 7  22 o 14.58000 1.031000  0.3022000      2.063000  
1 1 1 19 7  24 o 49.05000 1.293000  0.6799000      2.586000  
1 1 1 19 7  26 f 16.89000 1.229000  0.3665000      2.458000  
1 1 1 19 7  28 o 31.40000 0.9317000 0.4012000      1.863000  
1 1 1 19 7  30 f 34.20000 1.096000  -0.9531000     2.192000  
1 1 1 19 7  32 o 12.97000 2.336000  1.036000       4.672000  
1 1 1 19 7  34 o 6.768000 2.256000  1.070000       4.512000  
1 1 1 19 7  36 f 19.93000 1.635000  0.4208000      3.269000  
1 1 1 19 7  38 o 31.50000 1.437000  -1.492000      2.874000  
1 1 1 19 7  40 o 7.421000 2.151000  0.5246000      4.302000  
1 1 1 19 7  42 o 8.934000 2.257000  5.846000       4.513000  
1 1 1 19 8  1  o 36.23000 0.8738000 -0.5633000     1.748000  
1 1 1 19 8  3  o 24.92000 0.8360000 -0.4643000     1.672000  
1 1 1 19 8  5  o 65.92000 1.562000  3.736000       3.124000  
1 1 1 19 8  7  o 42.85000 0.9256000 -1.766000      1.851000  
1 1 1 19 8  9  o 53.43000 0.8492000 0.6206000      1.698000  
1 1 1 19 8  11 o 79.55000 1.146000  -0.2941000     2.292000  
1 1 1 19 8  13 o 47.21000 0.8198000 -0.4137000     1.640000  
1 1 1 19 8  15 o 72.81000 1.076000  -1.194000      2.151000  
1 1 1 19 8  17 o 34.32000 1.198000  5.051000       2.396000  
1 1 1 19 8  19 o 53.97000 0.8759000 1.498000       1.752000  
1 1 1 19 8  21 o 49.27000 0.8632000 0.9253000      1.726000  
1 1 1 19 8  23 o 40.78000 1.257000  6.278000       2.514000  
1 1 1 19 8  25 o 36.64000 0.8724000 -1.606000      1.745000  
1 1 1 19 8  27 o 30.76000 0.9213000 0.5447000      1.843000  
1 1 1 19 8  29 o 15.33000 1.431000  -1.020000      2.862000  
1 1 1 19 8  31 o 35.74000 1.202000  2.112000       2.404000  
1 1 1 19 8  33 o 45.02000 1.473000  -2.664000      2.945000  
1 1 1 19 8  35 o 39.77000 1.276000  -0.9285000     2.551000  
1 1 1 19 8  37 f 28.74000 1.302000  3.418000       2.605000  
1 1 1 19 8  39 o 43.26000 1.227000  2.162000       2.453000  
1 1 1 19 8  41 o 13.37000 2.305000  5.449000       4.610000  
1 1 1 19 8  43 o 12.27000 4.738000  ?              ?         
1 1 1 19 9  0  o 103.2000 2.693000  0.000000       0.000000  
1 1 1 19 9  2  o 67.25000 1.195000  0.4196000E-03  2.389000  
1 1 1 19 9  4  o 66.19000 1.200000  0.4916000E-01  2.400000  
1 1 1 19 9  6  o 12.12000 1.354000  -0.6906000     2.708000  
1 1 1 19 9  8  o 38.92000 0.7067000 0.9052000E-01  1.413000  
1 1 1 19 9  10 o 56.65000 0.8426000 -1.231000      1.685000  
1 1 1 19 9  12 f 23.75000 0.8327000 -0.9308000     1.665000  
1 1 1 19 9  14 o 7.115000 1.780000  0.6664000      3.561000  
1 1 1 19 9  16 o 11.63000 1.561000  -1.820000      3.123000  
1 1 1 19 9  18 o 55.51000 0.9106000 -1.331000      1.821000  
1 1 1 19 9  20 o 51.56000 0.8691000 0.6826000      1.738000  
1 1 1 19 9  22 o 35.04000 0.7700000 -3.762000      1.540000  
1 1 1 19 9  24 o 22.28000 1.017000  1.339000       2.033000  
1 1 1 19 9  26 o 8.798000 1.880000  0.8171000E-01  3.760000  
1 1 1 19 9  28 o 35.51000 0.8885000 -0.8549000E-02 1.777000  
1 1 1 19 9  30 o 22.70000 1.165000  -0.7062000     2.330000  
1 1 1 19 9  32 o 28.38000 1.381000  3.583000       2.762000  
1 1 1 19 9  34 o 38.94000 1.653000  -2.623000      3.307000  
1 1 1 19 9  36 o 28.57000 1.348000  5.755000       2.696000  
1 1 1 19 9  38 o 37.57000 1.170000  -0.2120000     2.341000  
1 1 1 19 9  40 o 8.971000 2.306000  0.9355000      4.613000  
1 1 1 19 9  42 o 27.59000 1.781000  5.886000       3.562000  
1 1 1 19 10 1  o 26.79000 0.8725000 0.4451000      1.745000  
1 1 1 19 10 3  o 32.38000 0.7339000 0.1817000      1.468000  
1 1 1 19 10 5  o 46.26000 0.8484000 1.446000       1.697000  
1 1 1 19 10 7  o 28.91000 0.7262000 -3.041000      1.452000  
1 1 1 19 10 9  o 71.94000 1.058000  -0.3330000     2.116000  
1 1 1 19 10 11 o 33.72000 0.7489000 -1.825000      1.498000  
1 1 1 19 10 13 o 31.17000 0.8061000 2.254000       1.612000  
1 1 1 19 10 15 o 53.60000 0.8728000 2.619000       1.746000  
1 1 1 19 10 17 o 46.96000 0.8186000 0.4090000      1.637000  
1 1 1 19 10 19 o 76.15000 1.125000  1.318000       2.250000  
1 1 1 19 10 21 o 44.94000 0.7833000 -2.694000      1.567000  
1 1 1 19 10 23 o 39.20000 0.7713000 0.6361000      1.543000  
1 1 1 19 10 25 o 30.07000 0.9024000 0.9695000E-01  1.805000  
1 1 1 19 10 27 o 30.38000 0.9011000 -0.4456000     1.802000  
1 1 1 19 10 29 o 20.60000 1.207000  0.8376000      2.415000  
1 1 1 19 10 31 o 15.71000 1.892000  3.344000       3.785000  
1 1 1 19 10 33 o 9.750000 2.814000  2.534000       5.629000  
1 1 1 19 10 35 o 9.598000 2.408000  2.155000       4.815000  
1 1 1 19 10 37 o 20.47000 1.479000  0.9683000      2.959000  
1 1 1 19 10 39 o 16.42000 1.885000  1.229000       3.770000  
1 1 1 19 10 41 o 11.46000 2.174000  6.814000       4.349000  
1 1 1 19 11 0  o 36.28000 1.299000  0.000000       0.000000  
1 1 1 19 11 2  o 20.01000 0.8359000 -1.108000      1.672000  
1 1 1 19 11 4  o 37.12000 0.8976000 -0.9814000     1.795000  
1 1 1 19 11 6  o 25.00000 0.7885000 -1.171000      1.577000  
1 1 1 19 11 8  o 112.1000 1.575000  -2.236000      3.151000  
1 1 1 19 11 10 o 20.38000 0.9026000 0.1919000E-01  1.805000  
1 1 1 19 11 12 o 83.50000 1.210000  0.7389000      2.421000  
1 1 1 19 11 14 o 81.79000 1.271000  1.044000       2.542000  
1 1 1 19 11 16 o 52.14000 0.8627000 1.176000       1.725000  
1 1 1 19 11 18 o 84.77000 1.231000  2.105000       2.462000  
1 1 1 19 11 20 o 82.03000 1.204000  3.992000       2.407000  
1 1 1 19 11 22 o 42.30000 0.9723000 -1.654000      1.945000  
1 1 1 19 11 24 o 54.38000 0.8759000 0.1065000      1.752000  
1 1 1 19 11 26 o 29.94000 0.8943000 -3.208000      1.789000  
1 1 1 19 11 28 o 21.86000 1.065000  -1.779000      2.129000  
1 1 1 19 11 30 o 18.20000 1.500000  -1.539000      3.001000  
1 1 1 19 11 32 o 70.61000 1.388000  -3.892000      2.775000  
1 1 1 19 11 34 o 16.31000 2.065000  1.190000       4.130000  
1 1 1 19 11 36 o 28.12000 1.273000  -1.687000      2.547000  
1 1 1 19 11 38 o 19.46000 1.617000  4.886000       3.234000  
1 1 1 19 11 40 o 12.35000 2.097000  4.003000       4.194000  
1 1 1 19 11 42 o 17.38000 2.976000  -9.874000      5.952000  
1 1 1 19 12 1  o 55.82000 0.8729000 -0.7021000     1.746000  
1 1 1 19 12 3  o 51.82000 0.9330000 -1.025000      1.866000  
1 1 1 19 12 5  o 47.18000 0.7458000 -0.6949000     1.492000  
1 1 1 19 12 7  o 65.52000 0.9306000 1.005000       1.861000  
1 1 1 19 12 9  o 38.56000 0.7412000 -0.7463000     1.482000  
1 1 1 19 12 11 o 91.56000 1.334000  0.9684000      2.668000  
1 1 1 19 12 13 o 71.79000 1.001000  0.5364000      2.002000  
1 1 1 19 12 15 o 20.62000 0.9167000 -1.105000      1.833000  
1 1 1 19 12 17 o 8.312000 1.709000  1.398000       3.417000  
1 1 1 19 12 19 o 38.53000 0.8183000 -1.043000      1.637000  
1 1 1 19 12 21 o 36.94000 0.7604000 -2.265000      1.521000  
1 1 1 19 12 23 o 33.82000 0.8087000 2.475000       1.617000  
1 1 1 19 12 25 o 53.64000 0.9285000 -0.4085000     1.857000  
1 1 1 19 12 27 o 22.30000 1.071000  -4.354000      2.142000  
1 1 1 19 12 29 o 61.13000 1.311000  0.1835000E-01  2.622000  
1 1 1 19 12 31 o 15.80000 2.189000  3.722000       4.378000  
1 1 1 19 12 33 o 7.273000 2.241000  2.214000       4.482000  
1 1 1 19 12 35 o 39.38000 1.144000  -0.7895000     2.288000  
1 1 1 19 12 37 o 18.84000 1.555000  1.501000       3.110000  
1 1 1 19 12 39 f 20.48000 1.633000  1.678000       3.266000  
1 1 1 19 12 41 o 27.60000 1.917000  2.720000       3.833000  
1 1 1 19 13 0  o 21.53000 1.189000  0.000000       0.000000  
1 1 1 19 13 2  o 52.71000 1.239000  0.9357000      2.477000  
1 1 1 19 13 4  o 17.24000 1.059000  -0.7814000     2.118000  
1 1 1 19 13 6  o 8.480000 1.869000  1.206000       3.738000  
1 1 1 19 13 8  o 31.34000 0.7504000 -0.4602000     1.501000  
1 1 1 19 13 10 o 22.82000 1.007000  0.4801000      2.013000  
1 1 1 19 13 12 o 34.54000 0.8639000 1.029000       1.728000  
1 1 1 19 13 14 o 70.92000 1.081000  2.324000       2.162000  
1 1 1 19 13 16 o 44.10000 0.7878000 -0.4608000     1.576000  
1 1 1 19 13 18 o 17.45000 1.065000  3.216000       2.131000  
1 1 1 19 13 20 o 19.20000 1.181000  3.602000       2.363000  
1 1 1 19 13 22 o 27.85000 0.8355000 -0.8439000     1.671000  
1 1 1 19 13 24 o 25.95000 0.8604000 1.539000       1.721000  
1 1 1 19 13 26 o 50.37000 0.9217000 4.011000       1.843000  
1 1 1 19 13 28 o 26.24000 1.123000  1.687000       2.246000  
1 1 1 19 13 30 o 22.79000 1.742000  2.741000       3.484000  
1 1 1 19 13 32 o 9.154000 2.556000  4.673000       5.111000  
1 1 1 19 13 34 o 24.82000 1.332000  -1.305000      2.664000  
1 1 1 19 13 36 o 50.37000 1.318000  -0.7607000     2.636000  
1 1 1 19 13 38 o 18.76000 1.549000  -0.3920000     3.098000  
1 1 1 19 13 40 o 18.92000 2.241000  -5.168000      4.482000  
1 1 1 19 14 1  o 52.41000 0.9820000 -2.336000      1.964000  
1 1 1 19 14 3  o 37.37000 0.8093000 -0.6642000     1.619000  
1 1 1 19 14 5  o 24.30000 0.8649000 0.4531000      1.730000  
1 1 1 19 14 7  o 36.71000 0.7565000 -1.381000      1.513000  
1 1 1 19 14 9  o 33.34000 0.8890000 -0.7915000     1.778000  
1 1 1 19 14 11 o 12.29000 1.800000  0.5127000      3.599000  
1 1 1 19 14 13 o 25.54000 0.9999000 -0.6422000     2.000000  
1 1 1 19 14 15 o 38.09000 0.9582000 0.6670000      1.916000  
1 1 1 19 14 17 o 22.58000 1.005000  0.2029000      2.009000  
1 1 1 19 14 19 o 22.03000 0.9342000 -2.118000      1.868000  
1 1 1 19 14 21 o 44.61000 0.9056000 0.8227000      1.811000  
1 1 1 19 14 23 o 64.30000 1.041000  -2.047000      2.082000  
1 1 1 19 14 25 o 28.95000 0.8854000 -0.9226000E-01 1.771000  
1 1 1 19 14 27 o 17.41000 1.220000  -0.9709000E-01 2.439000  
1 1 1 19 14 29 o 29.94000 1.340000  0.5571000      2.680000  
1 1 1 19 14 31 o 29.11000 2.506000  -3.866000      5.012000  
1 1 1 19 14 33 o 20.77000 1.639000  -0.3913000     3.278000  
1 1 1 19 14 35 o 19.56000 1.767000  -1.718000      3.535000  
1 1 1 19 14 37 o 22.73000 1.451000  2.735000       2.902000  
1 1 1 19 14 39 o 18.54000 1.930000  0.6684000      3.859000  
1 1 1 19 14 41 o 11.68000 3.314000  -1.260000      6.628000  
1 1 1 19 15 0  o 31.74000 1.289000  0.000000       0.000000  
1 1 1 19 15 2  o 14.73000 1.518000  1.733000       3.036000  
1 1 1 19 15 4  o 59.20000 0.9536000 0.5498000      1.907000  
1 1 1 19 15 6  o 51.98000 0.8844000 0.3993000      1.769000  
1 1 1 19 15 8  o 81.89000 1.178000  2.190000       2.357000  
1 1 1 19 15 10 o 69.60000 1.062000  2.316000       2.125000  
1 1 1 19 15 12 o 77.31000 1.151000  1.619000       2.301000  
1 1 1 19 15 14 o 71.00000 1.124000  -1.842000      2.247000  
1 1 1 19 15 16 o 42.55000 0.9707000 -1.344000      1.941000  
1 1 1 19 15 18 o 68.19000 1.175000  3.286000       2.351000  
1 1 1 19 15 20 o 72.84000 1.280000  -1.867000      2.559000  
1 1 1 19 15 22 o 14.19000 1.580000  -2.427000      3.161000  
1 1 1 19 15 24 f 29.72000 0.8457000 1.781000       1.691000  
1 1 1 19 15 26 o 10.81000 1.786000  -1.466000      3.572000  
1 1 1 19 15 28 o 13.87000 2.254000  -0.7161000E-01 4.508000  
1 1 1 19 15 30 o 58.53000 1.260000  6.309000       2.520000  
1 1 1 19 15 32 o 43.96000 1.314000  3.501000       2.628000  
1 1 1 19 15 34 o 47.33000 1.243000  1.541000       2.485000  
1 1 1 19 15 36 o 16.39000 1.706000  -0.2429000     3.412000  
1 1 1 19 15 38 o 8.233000 2.290000  2.425000       4.580000  
1 1 1 19 15 40 o 43.35000 1.631000  -0.4897000     3.263000  
1 1 1 19 16 1  f 73.24000 1.191000  0.8743000      2.383000  
1 1 1 19 16 3  o 75.37000 1.124000  2.766000       2.247000  
1 1 1 19 16 5  o 36.81000 0.9594000 0.9925000      1.919000  
1 1 1 19 16 7  o 38.12000 0.9781000 1.026000       1.956000  
1 1 1 19 16 9  o 55.94000 0.9870000 -1.968000      1.974000  
1 1 1 19 16 11 o 51.73000 0.9842000 -2.737000      1.968000  
1 1 1 19 16 13 o 22.16000 1.233000  -0.3510000     2.465000  
1 1 1 19 16 15 o 45.92000 1.035000  -0.9436000E-01 2.069000  
1 1 1 19 16 17 o 36.19000 0.9437000 -1.209000      1.887000  
1 1 1 19 16 19 o 16.12000 1.472000  -1.704000      2.944000  
1 1 1 19 16 21 o 17.39000 1.325000  0.2769000      2.650000  
1 1 1 19 16 23 o 23.52000 1.007000  1.946000       2.014000  
1 1 1 19 16 25 o 30.40000 0.9737000 -0.9984000     1.947000  
1 1 1 19 16 27 o 17.10000 1.643000  0.2917000      3.286000  
1 1 1 19 16 29 o 20.42000 1.985000  0.3902000      3.971000  
1 1 1 19 16 31 o 25.80000 4.284000  -10.10000      8.569000  
1 1 1 19 16 33 o 20.10000 1.457000  -0.7952000     2.914000  
1 1 1 19 16 35 o 22.72000 1.388000  2.882000       2.776000  
1 1 1 19 16 37 o 23.40000 1.360000  3.187000       2.721000  
1 1 1 19 16 39 o 8.053000 2.630000  -3.412000      5.260000  
1 1 1 19 17 0  o 72.35000 1.479000  0.000000       0.000000  
1 1 1 19 17 2  o 40.67000 0.9005000 0.2085000      1.801000  
1 1 1 19 17 4  o 36.23000 1.104000  5.103000       2.208000  
1 1 1 19 17 6  o 96.36000 1.428000  -0.7054000     2.855000  
1 1 1 19 17 8  o 54.70000 1.033000  0.5055000      2.067000  
1 1 1 19 17 10 o 24.43000 1.183000  1.981000       2.366000  
1 1 1 19 17 12 o 82.82000 1.277000  0.5969000      2.553000  
1 1 1 19 17 14 o 28.33000 1.075000  -0.1350000     2.150000  
1 1 1 19 17 16 f 51.18000 1.263000  -2.204000      2.526000  
1 1 1 19 17 18 o 67.41000 1.206000  -0.5585000     2.411000  
1 1 1 19 17 20 o 69.61000 1.263000  0.4152000E-01  2.527000  
1 1 1 19 17 22 o 24.90000 1.024000  0.9571000E-01  2.048000  
1 1 1 19 17 24 o 27.32000 0.9818000 -0.7410000     1.964000  
1 1 1 19 17 26 o 49.04000 1.129000  1.250000       2.258000  
1 1 1 19 17 28 o 39.00000 1.250000  2.772000       2.500000  
1 1 1 19 17 30 o 16.39000 1.718000  -1.970000      3.435000  
1 1 1 19 17 32 o 14.04000 4.021000  5.182000       8.043000  
1 1 1 19 17 34 o 23.80000 1.655000  -3.814000      3.310000  
1 1 1 19 17 36 o 8.004000 2.220000  -1.267000      4.441000  
1 1 1 19 17 38 o 7.475000 2.235000  1.399000       4.469000  
1 1 1 19 17 40 o 10.44000 4.904000  ?              ?         
1 1 1 19 18 1  o 43.18000 1.019000  0.4562000      2.037000  
1 1 1 19 18 3  o 16.11000 2.605000  -1.672000      5.210000  
1 1 1 19 18 5  f 82.09000 1.292000  4.062000       2.585000  
1 1 1 19 18 7  o 84.49000 1.302000  0.1426000      2.604000  
1 1 1 19 18 9  o 31.38000 1.097000  -0.3987000     2.193000  
1 1 1 19 18 11 o 19.13000 1.539000  -0.8326000     3.079000  
1 1 1 19 18 13 o 43.83000 1.035000  3.533000       2.069000  
1 1 1 19 18 15 o 64.10000 1.155000  2.288000       2.310000  
1 1 1 19 18 17 o 8.456000 2.060000  -1.662000      4.119000  
1 1 1 19 18 19 o 40.96000 1.223000  4.683000       2.446000  
1 1 1 19 18 21 o 47.94000 1.079000  -1.712000      2.159000  
1 1 1 19 18 23 o 6.442000 1.890000  0.9601000      3.779000  
1 1 1 19 18 25 o 17.04000 1.465000  -2.277000      2.931000  
1 1 1 19 18 27 o 50.28000 1.305000  3.891000       2.610000  
1 1 1 19 18 29 o 10.48000 3.804000  7.735000       7.608000  
1 1 1 19 18 31 o 14.56000 1.972000  2.217000       3.944000  
1 1 1 19 18 33 o 11.89000 3.738000  6.559000       7.477000  
1 1 1 19 18 35 o 19.37000 3.530000  -4.952000      7.060000  
1 1 1 19 18 37 o 9.741000 2.789000  0.2988000      5.577000  
1 1 1 19 18 39 o 31.16000 2.165000  1.904000       4.330000  
1 1 1 19 19 0  o 34.92000 1.974000  0.000000       0.000000  
1 1 1 19 19 2  o 43.39000 1.055000  0.7198000      2.110000  
1 1 1 19 19 4  o 15.78000 2.692000  4.309000       5.384000  
1 1 1 19 19 6  o 33.03000 1.186000  -3.788000      2.371000  
1 1 1 19 19 8  o 67.17000 1.185000  0.9892000      2.370000  
1 1 1 19 19 10 o 72.05000 1.187000  1.061000       2.373000  
1 1 1 19 19 12 o 79.20000 1.262000  -1.692000      2.524000  
1 1 1 19 19 14 o 49.10000 1.028000  -0.8628000     2.055000  
1 1 1 19 19 16 o 41.57000 1.060000  0.9634000      2.120000  
1 1 1 19 19 18 o 63.50000 1.197000  -1.922000      2.393000  
1 1 1 19 19 20 f 20.87000 1.302000  0.2320000E-01  2.604000  
1 1 1 19 19 22 o 38.62000 1.028000  -2.776000      2.056000  
1 1 1 19 19 24 o 23.92000 1.156000  1.484000       2.312000  
1 1 1 19 19 26 o 56.37000 1.293000  5.943000       2.586000  
1 1 1 19 19 28 o 65.79000 1.578000  5.466000       3.156000  
1 1 1 19 19 30 o 67.33000 4.579000  -5.875000      9.159000  
1 1 1 19 19 32 o 56.58000 1.223000  -3.042000      2.447000  
1 1 1 19 19 34 o 33.75000 3.820000  -7.631000      7.640000  
1 1 1 19 19 36 o 14.52000 2.732000  -5.733000      5.465000  
1 1 1 19 19 38 o 24.27000 2.115000  -3.938000      4.231000  
1 1 1 19 20 1  o 9.939000 2.417000  -1.144000      4.833000  
1 1 1 19 20 3  f 22.94000 1.412000  -1.781000      2.824000  
1 1 1 19 20 5  o 38.63000 1.612000  0.6919000      3.224000  
1 1 1 19 20 7  o 37.84000 1.122000  2.735000       2.244000  
1 1 1 19 20 9  o 28.00000 1.322000  -0.6051000     2.643000  
1 1 1 19 20 11 o 15.69000 1.956000  -2.568000      3.913000  
1 1 1 19 20 13 o 23.35000 1.394000  -0.7646000     2.788000  
1 1 1 19 20 15 o 19.58000 1.640000  -1.304000      3.280000  
1 1 1 19 20 17 o 27.36000 1.170000  0.7936000      2.341000  
1 1 1 19 20 19 o 24.95000 1.232000  2.556000       2.464000  
1 1 1 19 20 21 f 20.58000 1.320000  1.861000       2.640000  
1 1 1 19 20 23 o 79.48000 1.442000  -0.5127000     2.884000  
1 1 1 19 20 25 o 30.34000 1.248000  -3.315000      2.495000  
1 1 1 19 20 27 o 44.16000 1.474000  4.110000       2.948000  
1 1 1 19 20 29 o 22.56000 1.407000  -8.299000      2.814000  
1 1 1 19 20 31 o 8.616000 2.265000  -1.975000      4.530000  
1 1 1 19 20 33 o 19.36000 3.715000  0.3156000      7.431000  
1 1 1 19 20 35 o 20.07000 3.379000  -6.413000      6.757000  
1 1 1 19 20 37 o 8.193000 2.112000  -2.038000      4.223000  
1 1 1 19 21 0  o 48.52000 1.348000  0.000000       0.000000  
1 1 1 19 21 2  o 18.42000 1.729000  -1.810000      3.458000  
1 1 1 19 21 4  o 30.46000 1.302000  -0.3189000     2.604000  
1 1 1 19 21 6  o 20.03000 2.593000  -0.4373000     5.187000  
1 1 1 19 21 8  o 37.12000 1.077000  -1.846000      2.154000  
1 1 1 19 21 10 f 29.45000 3.042000  -11.56000      6.084000  
1 1 1 19 21 12 o 53.42000 1.130000  -1.004000      2.261000  
1 1 1 19 21 14 o 56.38000 1.129000  0.5235000      2.258000  
1 1 1 19 21 16 o 62.09000 1.197000  -2.634000      2.394000  
1 1 1 19 21 18 o 27.82000 1.271000  0.8560000      2.543000  
1 1 1 19 21 20 o 57.73000 1.223000  0.2026000      2.447000  
1 1 1 19 21 22 o 25.13000 1.225000  0.5031000      2.449000  
1 1 1 19 21 24 o 7.648000 2.301000  1.447000       4.602000  
1 1 1 19 21 26 f 12.06000 2.838000  -1.444000      5.676000  
1 1 1 19 21 28 o 29.54000 1.255000  0.1083000E-01  2.510000  
1 1 1 19 21 30 o 22.37000 4.064000  2.779000       8.128000  
1 1 1 19 21 32 o 14.35000 1.812000  -0.7228000     3.625000  
1 1 1 19 21 34 o 19.44000 3.863000  1.763000       7.726000  
1 1 1 19 21 36 o 9.986000 2.885000  0.6154000      5.770000  
1 1 1 19 22 1  o 8.383000 2.361000  0.6932000      4.721000  
1 1 1 19 22 3  o 18.02000 1.785000  1.031000       3.570000  
1 1 1 19 22 5  o 14.15000 2.279000  -3.113000      4.558000  
1 1 1 19 22 7  o 20.77000 2.471000  8.997000       4.942000  
1 1 1 19 22 9  o 7.053000 2.152000  0.6794000      4.304000  
1 1 1 19 22 11 o 17.12000 1.940000  3.405000       3.881000  
1 1 1 19 22 13 o 40.56000 1.203000  2.573000       2.407000  
1 1 1 19 22 15 o 55.31000 1.145000  3.120000       2.290000  
1 1 1 19 22 17 o 51.17000 1.342000  -4.945000      2.684000  
1 1 1 19 22 19 o 27.98000 1.236000  0.7683000E-01  2.472000  
1 1 1 19 22 21 o 30.11000 1.211000  0.7917000      2.422000  
1 1 1 19 22 23 o 25.43000 1.590000  -0.4072000E-01 3.180000  
1 1 1 19 22 25 o 38.28000 1.358000  -0.9831000     2.717000  
1 1 1 19 22 27 o 27.95000 1.340000  0.4069000      2.680000  
1 1 1 19 22 29 o 34.09000 1.151000  -1.554000      2.302000  
1 1 1 19 22 31 o 16.19000 3.807000  0.5740000      7.613000  
1 1 1 19 22 33 o 23.55000 1.520000  -3.751000      3.039000  
1 1 1 19 22 35 o 20.44000 4.041000  3.160000       8.082000  
1 1 1 19 22 37 o 8.845000 4.107000  ?              ?         
1 1 1 19 23 0  o 18.78000 2.550000  0.000000       0.000000  
1 1 1 19 23 2  o 27.79000 1.451000  -0.7022000     2.902000  
1 1 1 19 23 4  o 17.60000 2.060000  -2.625000      4.121000  
1 1 1 19 23 6  o 54.40000 1.166000  2.179000       2.332000  
1 1 1 19 23 8  o 36.92000 1.955000  -0.4663000     3.910000  
1 1 1 19 23 10 o 67.53000 1.541000  -1.400000      3.082000  
1 1 1 19 23 12 o 23.45000 1.632000  -2.198000      3.264000  
1 1 1 19 23 14 o 9.094000 2.386000  3.679000       4.773000  
1 1 1 19 23 16 o 12.16000 2.676000  0.9376000      5.352000  
1 1 1 19 23 18 o 18.79000 1.896000  0.7409000      3.792000  
1 1 1 19 23 20 o 18.72000 1.889000  -6.468000      3.778000  
1 1 1 19 23 22 o 39.14000 1.416000  -3.415000      2.833000  
1 1 1 19 23 24 o 22.01000 2.265000  -1.894000      4.530000  
1 1 1 19 23 26 o 29.34000 1.375000  0.3373000      2.750000  
1 1 1 19 23 28 o 22.11000 1.703000  -3.168000      3.405000  
1 1 1 19 23 30 o 14.67000 2.578000  -6.229000      5.156000  
1 1 1 19 23 32 o 7.735000 2.225000  -2.827000      4.450000  
1 1 1 19 23 34 o 15.25000 1.945000  3.013000       3.891000  
1 1 1 19 23 36 o 15.28000 2.960000  -2.296000      5.920000  
1 1 1 19 24 1  o 45.45000 1.087000  -1.028000      2.174000  
1 1 1 19 24 3  o 39.61000 1.100000  2.884000       2.200000  
1 1 1 19 24 5  o 27.65000 1.347000  -0.9496000     2.693000  
1 1 1 19 24 7  o 15.54000 2.343000  -4.267000      4.687000  
1 1 1 19 24 9  o 84.93000 1.595000  -1.281000      3.190000  
1 1 1 19 24 11 o 48.15000 1.719000  3.026000       3.438000  
1 1 1 19 24 13 o 9.104000 2.490000  3.784000       4.981000  
1 1 1 19 24 15 o 20.73000 1.702000  -1.497000      3.404000  
1 1 1 19 24 17 o 20.89000 1.888000  -2.095000      3.776000  
1 1 1 19 24 19 o 17.07000 2.320000  -2.867000      4.641000  
1 1 1 19 24 21 o 40.96000 1.543000  1.214000       3.087000  
1 1 1 19 24 23 o 23.00000 2.132000  -2.497000      4.263000  
1 1 1 19 24 25 o 36.92000 1.345000  6.788000       2.690000  
1 1 1 19 24 27 o 18.50000 2.147000  -3.488000      4.295000  
1 1 1 19 24 29 o 19.23000 2.157000  -6.601000      4.314000  
1 1 1 19 24 31 o 9.899000 2.211000  -2.055000      4.422000  
1 1 1 19 24 33 o 6.097000 1.907000  -1.783000      3.813000  
1 1 1 19 24 35 o 33.58000 1.584000  7.019000       3.167000  
1 1 1 19 25 0  o 55.09000 1.535000  0.000000       0.000000  
1 1 1 19 25 2  o 20.78000 1.750000  -0.6383000     3.499000  
1 1 1 19 25 4  o 43.65000 1.140000  -3.273000      2.280000  
1 1 1 19 25 6  o 44.46000 1.066000  0.5877000      2.132000  
1 1 1 19 25 8  o 15.21000 2.317000  -1.919000      4.635000  
1 1 1 19 25 10 o 27.09000 1.620000  -3.090000      3.241000  
1 1 1 19 25 12 o 54.75000 2.651000  -1.501000      5.301000  
1 1 1 19 25 14 o 26.91000 1.430000  2.156000       2.860000  
1 1 1 19 25 16 o 12.19000 2.539000  4.123000       5.078000  
1 1 1 19 25 18 o 26.80000 1.769000  -3.675000      3.538000  
1 1 1 19 25 20 o 41.83000 1.636000  -2.579000      3.273000  
1 1 1 19 25 22 o 12.73000 3.920000  1.488000       7.840000  
1 1 1 19 25 24 o 37.57000 1.532000  -3.543000      3.064000  
1 1 1 19 25 26 o 61.49000 1.402000  -1.996000      2.805000  
1 1 1 19 25 28 o 12.85000 2.587000  1.946000       5.174000  
1 1 1 19 25 30 f 6.209000 2.033000  -0.2353000     4.066000  
1 1 1 19 25 32 o 14.92000 2.447000  -10.97000      4.895000  
1 1 1 19 25 34 o 39.50000 1.787000  -5.109000      3.575000  
1 1 1 19 26 1  o 21.47000 1.812000  0.9980000E-01  3.624000  
1 1 1 19 26 3  o 29.73000 1.347000  0.9942000      2.693000  
1 1 1 19 26 5  o 28.05000 1.657000  -0.2030000     3.314000  
1 1 1 19 26 7  o 61.05000 1.198000  1.091000       2.395000  
1 1 1 19 26 9  o 22.50000 1.870000  -0.9477000     3.739000  
1 1 1 19 26 11 o 39.06000 1.499000  3.139000       2.998000  
1 1 1 19 26 13 o 46.90000 2.184000  0.2798000      4.368000  
1 1 1 19 26 15 o 41.20000 2.413000  -1.589000      4.827000  
1 1 1 19 26 17 o 34.47000 1.819000  0.2012000      3.638000  
1 1 1 19 26 19 o 48.13000 1.901000  -1.451000      3.802000  
1 1 1 19 26 21 o 13.17000 4.310000  12.71000       8.621000  
1 1 1 19 26 23 o 30.89000 1.832000  5.271000       3.663000  
1 1 1 19 26 25 o 44.06000 1.293000  1.956000       2.586000  
1 1 1 19 26 27 o 32.64000 1.346000  -2.352000      2.692000  
1 1 1 19 26 29 o 27.40000 3.923000  -5.393000      7.846000  
1 1 1 19 26 31 o 7.288000 2.190000  -1.856000      4.380000  
1 1 1 19 26 33 o 32.14000 2.004000  -3.711000      4.007000  
1 1 1 19 27 0  o 36.16000 2.312000  0.000000       0.000000  
1 1 1 19 27 2  f 22.58000 2.267000  -0.3848000     4.533000  
1 1 1 19 27 4  o 28.23000 2.473000  -6.786000      4.945000  
1 1 1 19 27 6  o 20.98000 2.543000  -3.872000      5.086000  
1 1 1 19 27 8  o 24.20000 2.060000  -1.249000      4.121000  
1 1 1 19 27 10 o 41.82000 1.696000  0.1003000E-01  3.393000  
1 1 1 19 27 12 o 49.36000 2.916000  -4.368000      5.831000  
1 1 1 19 27 14 o 17.00000 4.694000  8.271000       9.387000  
1 1 1 19 27 16 o 8.414000 4.015000  ?              ?         
1 1 1 19 27 18 o 46.27000 2.745000  2.509000       5.490000  
1 1 1 19 27 20 o 27.04000 2.241000  -0.8278000     4.482000  
1 1 1 19 27 22 o 29.13000 1.585000  0.3219000      3.170000  
1 1 1 19 27 24 o 31.28000 1.514000  1.819000       3.028000  
1 1 1 19 27 26 o 11.75000 2.610000  -1.267000      5.221000  
1 1 1 19 27 28 o 15.89000 2.382000  1.103000       4.765000  
1 1 1 19 27 30 f 8.767000 2.312000  -4.730000      4.624000  
1 1 1 19 27 32 o 28.44000 2.619000  -9.114000      5.237000  
1 1 1 19 28 1  o 13.23000 2.746000  -1.905000      5.492000  
1 1 1 19 28 3  o 22.09000 1.882000  0.1113000      3.765000  
1 1 1 19 28 5  o 15.14000 3.064000  -3.163000      6.129000  
1 1 1 19 28 7  o 26.93000 1.723000  -2.415000      3.446000  
1 1 1 19 28 9  o 51.44000 1.231000  -7.632000      2.461000  
1 1 1 19 28 11 o 15.91000 2.916000  -1.869000      5.832000  
1 1 1 19 28 13 o 7.618000 2.544000  3.882000       5.087000  
1 1 1 19 28 15 o 25.05000 3.848000  -11.37000      7.696000  
1 1 1 19 28 17 o 13.57000 3.493000  0.7583000      6.986000  
1 1 1 19 28 19 o 31.65000 2.013000  2.093000       4.025000  
1 1 1 19 28 21 o 28.06000 1.792000  -1.541000      3.584000  
1 1 1 19 28 23 o 17.06000 2.333000  -1.978000      4.666000  
1 1 1 19 28 25 o 22.79000 1.888000  0.6488000      3.776000  
1 1 1 19 28 27 o 22.07000 2.044000  -3.599000      4.088000  
1 1 1 19 28 29 o 17.82000 2.164000  -6.748000      4.329000  
1 1 1 19 28 31 o 29.75000 2.106000  -4.404000      4.211000  
1 1 1 19 29 0  o 28.01000 2.464000  0.000000       0.000000  
1 1 1 19 29 2  o 20.65000 2.224000  1.879000       4.448000  
1 1 1 19 29 4  o 27.95000 1.764000  -0.4614000     3.528000  
1 1 1 19 29 6  o 21.81000 2.340000  -1.988000      4.680000  
1 1 1 19 29 8  o 17.12000 3.125000  -0.5059000E-01 6.251000  
1 1 1 19 29 10 o 15.89000 3.608000  0.8095000      7.216000  
1 1 1 19 29 12 o 28.12000 2.533000  0.8825000      5.066000  
1 1 1 19 29 14 o 29.61000 3.078000  -2.383000      6.155000  
1 1 1 19 29 16 o 8.987000 3.022000  -2.170000      6.044000  
1 1 1 19 29 18 o 30.66000 2.014000  -1.383000      4.028000  
1 1 1 19 29 20 o 23.77000 2.116000  -0.2767000     4.231000  
1 1 1 19 29 22 o 13.61000 2.757000  2.039000       5.515000  
1 1 1 19 29 24 f 16.10000 2.572000  -3.432000      5.144000  
1 1 1 19 29 26 o 12.56000 2.785000  0.2546000      5.570000  
1 1 1 19 29 28 o 6.752000 2.163000  1.369000       4.327000  
1 1 1 19 29 30 o 35.90000 1.850000  0.7079000E-01  3.700000  
1 1 1 19 30 1  o 10.89000 3.027000  -0.7503000     6.054000  
1 1 1 19 30 3  o 30.31000 1.836000  0.9645000      3.671000  
1 1 1 19 30 5  o 15.13000 3.445000  -0.7506000     6.889000  
1 1 1 19 30 7  o 10.67000 3.236000  -2.150000      6.473000  
1 1 1 19 30 9  o 9.600000 3.004000  5.726000       6.008000  
1 1 1 19 30 11 o 45.05000 1.828000  -0.3411000     3.656000  
1 1 1 19 30 15 o 8.457000 2.611000  1.711000       5.223000  
1 1 1 19 30 17 o 32.78000 1.690000  -4.534000      3.379000  
1 1 1 19 30 19 o 21.12000 4.181000  4.449000       8.362000  
1 1 1 19 30 21 o 12.65000 3.129000  6.382000       6.258000  
1 1 1 19 30 23 o 8.842000 2.657000  2.421000       5.313000  
1 1 1 19 30 25 o 10.29000 2.776000  1.137000       5.552000  
1 1 1 19 30 27 o 9.269000 2.619000  -0.8136000     5.238000  
1 1 1 19 30 29 o 29.35000 2.366000  8.220000       4.731000  
1 1 1 19 31 0  o 15.64000 5.038000  0.000000       0.000000  
1 1 1 19 31 2  o 19.71000 3.454000  2.285000       6.908000  
1 1 1 19 31 4  o 8.838000 3.022000  1.676000       6.045000  
1 1 1 19 31 6  o 44.92000 2.832000  2.588000       5.664000  
1 1 1 19 31 8  o 75.84000 1.660000  0.2883000      3.319000  
1 1 1 19 31 10 o 21.71000 3.622000  -3.394000      7.244000  
1 1 1 19 31 12 o 14.86000 3.397000  -3.366000      6.794000  
1 1 1 19 31 14 o 15.02000 2.873000  -5.532000      5.747000  
1 1 1 19 31 16 o 10.29000 2.999000  3.757000       5.998000  
1 1 1 19 31 18 o 28.63000 1.868000  -0.9571000     3.736000  
1 1 1 19 31 20 o 22.66000 3.724000  -5.173000      7.448000  
1 1 1 19 31 22 o 11.46000 3.051000  3.146000       6.102000  
1 1 1 19 31 24 o 13.11000 2.927000  1.363000       5.854000  
1 1 1 19 31 26 o 8.128000 2.667000  1.916000       5.334000  
1 1 1 19 31 28 o 34.48000 2.125000  4.412000       4.250000  
1 1 1 19 32 1  o 23.78000 2.807000  9.901000       5.614000  
1 1 1 19 32 3  o 7.826000 2.651000  -0.1079000     5.302000  
1 1 1 19 32 5  o 9.421000 3.152000  -2.900000      6.305000  
1 1 1 19 32 7  o 11.78000 2.696000  10.29000       5.392000  
1 1 1 19 32 9  o 17.65000 2.678000  1.583000       5.357000  
1 1 1 19 32 11 o 11.87000 3.392000  -1.055000      6.785000  
1 1 1 19 32 13 o 26.76000 2.379000  -2.273000      4.758000  
1 1 1 19 32 15 o 38.49000 1.849000  -0.2132000     3.697000  
1 1 1 19 32 17 o 29.02000 4.359000  -13.54000      8.719000  
1 1 1 19 32 19 o 9.379000 2.894000  3.717000       5.789000  
1 1 1 19 32 21 o 43.38000 6.639000  8.403000       13.28000  
1 1 1 19 32 23 o 35.24000 1.971000  1.936000       3.941000  
1 1 1 19 32 25 o 12.51000 2.867000  -2.234000      5.733000  
1 1 1 19 32 27 o 8.634000 2.733000  4.697000       5.466000  
1 1 1 19 33 0  o 7.270000 3.454000  0.000000       0.000000  
1 1 1 19 33 2  o 17.48000 3.287000  -1.791000      6.574000  
1 1 1 19 33 4  o 15.63000 2.693000  0.4818000      5.385000  
1 1 1 19 33 6  o 27.83000 2.430000  3.775000       4.861000  
1 1 1 19 33 8  o 24.09000 2.923000  1.334000       5.847000  
1 1 1 19 33 10 o 22.36000 3.039000  -0.1262000     6.077000  
1 1 1 19 33 12 o 23.32000 2.789000  -2.004000      5.579000  
1 1 1 19 33 14 o 14.75000 3.046000  1.890000       6.092000  
1 1 1 19 33 16 o 11.50000 3.045000  2.597000       6.089000  
1 1 1 19 33 18 o 62.77000 1.809000  1.180000       3.617000  
1 1 1 19 33 20 o 45.26000 1.661000  -5.594000      3.321000  
1 1 1 19 33 22 o 12.06000 3.158000  -8.459000      6.315000  
1 1 1 19 33 24 o 7.645000 2.551000  2.555000       5.101000  
1 1 1 19 33 26 o 9.322000 2.781000  1.088000       5.562000  
1 1 1 19 34 1  o 21.13000 3.527000  -0.8048000     7.055000  
1 1 1 19 34 3  o 21.98000 2.851000  -0.3496000     5.703000  
1 1 1 19 34 5  o 16.02000 3.369000  3.262000       6.739000  
1 1 1 19 34 7  o 12.64000 3.487000  -2.175000      6.974000  
1 1 1 19 34 9  o 13.46000 3.510000  -0.6880000     7.020000  
1 1 1 19 34 11 o 21.88000 2.692000  4.260000       5.383000  
1 1 1 19 34 13 o 14.12000 3.367000  -1.534000      6.734000  
1 1 1 19 34 15 o 31.08000 2.573000  -1.398000      5.146000  
1 1 1 19 34 17 o 21.55000 2.679000  3.546000       5.359000  
1 1 1 19 34 19 o 8.323000 2.565000  0.4636000      5.129000  
1 1 1 19 34 21 o 7.318000 2.441000  1.660000       4.882000  
1 1 1 19 34 23 o 36.67000 1.950000  ?              ?         
1 1 1 19 35 0  o 23.18000 5.249000  0.000000       0.000000  
1 1 1 19 35 2  o 10.22000 3.092000  0.4820000      6.184000  
1 1 1 19 35 4  o 17.35000 3.266000  -0.4068000     6.531000  
1 1 1 19 35 6  f 11.45000 3.194000  0.9046000      6.387000  
1 1 1 19 35 8  o 19.87000 2.967000  -8.466000      5.934000  
1 1 1 19 35 10 o 19.31000 5.667000  13.80000       11.33000  
1 1 1 19 35 12 o 12.35000 3.405000  -2.364000      6.811000  
1 1 1 19 35 14 o 16.20000 3.448000  0.7609000E-01  6.895000  
1 1 1 19 35 16 o 13.29000 3.669000  2.778000       7.338000  
1 1 1 19 35 18 o 26.50000 2.885000  -3.281000      5.770000  
1 1 1 19 35 20 o 6.768000 2.331000  1.456000       4.662000  
1 1 1 19 35 22 o 16.67000 3.239000  -8.435000      6.478000  
1 1 1 19 36 1  o 18.96000 3.089000  -11.41000      6.179000  
1 1 1 19 36 3  o 23.72000 2.785000  -4.904000      5.571000  
1 1 1 19 36 5  o 13.01000 3.348000  0.6642000      6.696000  
1 1 1 19 36 7  o 10.95000 3.087000  3.256000       6.175000  
1 1 1 19 36 9  o 23.60000 3.350000  -6.704000      6.699000  
1 1 1 19 36 11 o 12.25000 3.279000  -8.219000      6.557000  
1 1 1 19 36 13 o 12.77000 3.314000  1.841000       6.627000  
1 1 1 19 36 15 o 29.06000 2.098000  -8.919000      4.195000  
1 1 1 19 36 17 o 11.76000 2.888000  -0.9974000     5.776000  
1 1 1 19 36 19 f 33.18000 3.175000  1.454000       6.349000  
1 1 1 19 36 21 o 9.796000 2.990000  -0.7036000     5.979000  
1 1 1 19 37 0  o 17.29000 5.108000  0.000000       0.000000  
1 1 1 19 37 2  o 15.16000 3.535000  0.3633000      7.070000  
1 1 1 19 37 4  o 10.24000 3.164000  2.183000       6.329000  
1 1 1 19 37 6  o 17.02000 3.630000  0.4996000      7.260000  
1 1 1 19 37 8  o 21.27000 3.316000  -1.489000      6.632000  
1 1 1 19 37 10 o 10.74000 3.414000  -1.745000      6.827000  
1 1 1 19 37 12 o 10.78000 3.229000  -0.4782000     6.458000  
1 1 1 19 37 14 o 11.10000 3.275000  -3.105000      6.550000  
1 1 1 19 37 16 o 10.10000 2.728000  -1.653000      5.456000  
1 1 1 19 37 18 o 23.50000 2.872000  -0.8558000     5.743000  
1 1 1 19 38 1  o 41.55000 1.757000  0.6714000E-01  3.515000  
1 1 1 19 38 3  o 13.56000 3.509000  -2.239000      7.018000  
1 1 1 19 38 5  o 24.08000 3.189000  -1.734000      6.377000  
1 1 1 19 38 7  o 11.77000 3.315000  -2.443000      6.630000  
1 1 1 19 38 9  o 8.833000 2.944000  -2.779000      5.887000  
1 1 1 19 38 11 o 16.93000 3.583000  -10.18000      7.165000  
1 1 1 19 38 13 o 7.785000 2.526000  -1.731000      5.053000  
1 1 1 19 38 15 o 30.96000 2.144000  4.290000       4.289000  
1 1 1 19 39 0  o 17.44000 4.795000  0.000000       0.000000  
1 1 1 19 39 2  o 18.17000 3.380000  -0.9141000     6.760000  
1 1 1 19 39 4  o 19.44000 3.576000  4.296000       7.151000  
1 1 1 19 39 6  o 13.71000 3.560000  -5.241000      7.120000  
1 1 1 19 39 8  o 11.79000 3.780000  -8.091000      7.559000  
1 1 1 19 39 10 o 38.90000 1.725000  7.501000       3.450000  
1 1 1 19 39 12 o 21.69000 2.935000  11.65000       5.871000  
1 1 1 19 39 14 o 16.20000 4.219000  ?              ?         
1 1 1 19 40 1  o 13.58000 2.610000  -9.309000      5.220000  
1 1 1 19 40 3  o 22.76000 2.708000  -0.9808000     5.416000  
1 1 1 19 40 5  o 32.00000 1.714000  4.539000       3.429000  
1 1 1 19 40 7  o 22.97000 2.649000  7.791000       5.297000  
1 1 1 19 40 9  o 11.97000 3.107000  3.303000       6.214000  
1 1 1 19 41 0  o 8.109000 3.863000  0.000000       0.000000  
1 1 1 19 41 2  o 17.07000 3.152000  -1.955000      6.304000  
1 1 1 19 41 4  o 14.59000 3.513000  ?              ?         
1 1 1 20 0  0  o 114.9000 4.204000  0.000000       0.000000  
1 1 1 20 0  2  o 103.6000 2.705000  0.000000       0.000000  
1 1 1 20 0  4  o 18.76000 1.614000  0.000000       0.000000  
1 1 1 20 0  6  o 22.70000 0.9646000 0.000000       0.000000  
1 1 1 20 0  8  o 30.68000 1.034000  0.000000       0.000000  
1 1 1 20 0  10 o 7.490000 2.116000  0.000000       0.000000  
1 1 1 20 0  12 o 59.86000 1.193000  0.000000       0.000000  
1 1 1 20 0  14 o 7.201000 2.312000  0.000000       0.000000  
1 1 1 20 0  16 o 39.35000 0.9669000 0.000000       0.000000  
1 1 1 20 0  18 o 13.00000 1.578000  0.000000       0.000000  
1 1 1 20 0  20 o 11.10000 1.961000  0.000000       0.000000  
1 1 1 20 0  22 o 18.94000 1.290000  0.000000       0.000000  
1 1 1 20 0  24 o 7.961000 2.549000  0.000000       0.000000  
1 1 1 20 0  26 o 5.168000 2.285000  0.000000       0.000000  
1 1 1 20 0  28 o 68.61000 1.441000  0.000000       0.000000  
1 1 1 20 0  30 o 6.510000 2.567000  0.000000       0.000000  
1 1 1 20 0  32 o 63.23000 1.601000  0.000000       0.000000  
1 1 1 20 0  34 f 5.042000 2.433000  0.000000       0.000000  
1 1 1 20 0  36 o 28.95000 1.357000  0.000000       0.000000  
1 1 1 20 0  38 o 8.545000 3.204000  0.000000       0.000000  
1 1 1 20 0  40 o 14.81000 3.278000  0.000000       0.000000  
1 1 1 20 0  42 o 66.24000 2.112000  0.000000       0.000000  
1 1 1 20 1  1  o 140.4000 2.088000  -8.029000      4.177000  
1 1 1 20 1  3  o 33.74000 0.9075000 -0.3745000     1.815000  
1 1 1 20 1  5  o 22.98000 0.7957000 0.8861000E-01  1.591000  
1 1 1 20 1  7  o 43.41000 0.6800000 -1.647000      1.360000  
1 1 1 20 1  9  o 34.87000 0.6846000 -0.1016000E-01 1.369000  
1 1 1 20 1  11 o 69.16000 0.9720000 1.930000       1.944000  
1 1 1 20 1  13 o 71.55000 1.003000  -0.3043000     2.006000  
1 1 1 20 1  15 o 26.03000 0.6778000 -2.721000      1.356000  
1 1 1 20 1  17 o 64.41000 0.8998000 -2.233000      1.800000  
1 1 1 20 1  19 o 45.47000 0.7241000 1.741000       1.448000  
1 1 1 20 1  21 o 69.02000 0.9656000 2.730000       1.931000  
1 1 1 20 1  23 o 50.26000 0.8519000 -2.396000      1.704000  
1 1 1 20 1  25 o 38.55000 0.7733000 2.063000       1.547000  
1 1 1 20 1  27 o 6.672000 1.874000  1.062000       3.748000  
1 1 1 20 1  29 o 29.48000 0.8339000 -0.4791000E-01 1.668000  
1 1 1 20 1  31 o 30.66000 0.9551000 0.3405000      1.910000  
1 1 1 20 1  33 o 23.87000 1.807000  0.7416000      3.614000  
1 1 1 20 1  35 o 32.32000 1.003000  0.7229000      2.006000  
1 1 1 20 1  37 o 20.89000 1.404000  2.751000       2.809000  
1 1 1 20 1  39 o 15.40000 1.511000  -0.7440000     3.022000  
1 1 1 20 1  41 o 22.05000 1.109000  0.7409000      2.218000  
1 1 1 20 1  43 o 8.206000 2.705000  -0.5685000     5.409000  
1 1 1 20 2  0  o 130.6000 2.744000  0.000000       0.000000  
1 1 1 20 2  2  o 141.4000 2.578000  1.240000       5.156000  
1 1 1 20 2  4  o 49.21000 0.9540000 -0.6028000     1.908000  
1 1 1 20 2  6  o 39.21000 0.6955000 1.516000       1.391000  
1 1 1 20 2  8  o 18.30000 0.7522000 -0.1748000     1.504000  
1 1 1 20 2  10 o 52.17000 0.7843000 -0.5957000     1.569000  
1 1 1 20 2  12 o 18.50000 0.8677000 -1.131000      1.735000  
1 1 1 20 2  14 o 42.41000 0.7204000 -0.7994000     1.441000  
1 1 1 20 2  16 o 42.38000 0.7083000 -0.9307000     1.417000  
1 1 1 20 2  18 o 75.17000 1.022000  0.5134000      2.043000  
1 1 1 20 2  20 o 57.64000 0.8447000 0.1918000      1.689000  
1 1 1 20 2  22 o 12.38000 1.289000  -1.726000      2.577000  
1 1 1 20 2  24 o 30.24000 0.7813000 -0.3529000     1.563000  
1 1 1 20 2  26 o 9.894000 1.698000  1.503000       3.396000  
1 1 1 20 2  28 o 19.22000 1.017000  -0.3359000     2.034000  
1 1 1 20 2  30 o 49.86000 0.9080000 -2.773000      1.816000  
1 1 1 20 2  32 o 30.08000 1.055000  -0.2490000     2.110000  
1 1 1 20 2  34 o 53.61000 1.223000  -0.1395000     2.445000  
1 1 1 20 2  36 o 8.950000 2.175000  0.2376000      4.350000  
1 1 1 20 2  38 o 26.31000 1.129000  0.5438000      2.257000  
1 1 1 20 2  40 o 12.14000 1.838000  2.221000       3.675000  
1 1 1 20 2  42 o 10.68000 2.460000  -1.208000      4.920000  
1 1 1 20 3  1  o 43.70000 0.8713000 -1.314000      1.743000  
1 1 1 20 3  3  o 37.30000 0.8615000 -0.9235000     1.723000  
1 1 1 20 3  5  o 38.32000 0.7518000 -1.129000      1.504000  
1 1 1 20 3  7  o 58.10000 1.055000  -1.772000      2.109000  
1 1 1 20 3  9  o 40.48000 0.6907000 -0.4744000     1.381000  
1 1 1 20 3  11 o 86.60000 1.188000  -1.691000      2.376000  
1 1 1 20 3  13 o 66.63000 0.9509000 2.006000       1.902000  
1 1 1 20 3  15 o 74.44000 1.040000  -0.2610000     2.080000  
1 1 1 20 3  17 o 19.40000 0.8278000 0.1937000      1.656000  
1 1 1 20 3  19 o 38.97000 0.7092000 -2.798000      1.418000  
1 1 1 20 3  21 o 36.81000 0.6967000 -1.186000      1.393000  
1 1 1 20 3  23 o 15.07000 1.145000  -2.164000      2.291000  
1 1 1 20 3  25 o 41.15000 0.7804000 0.2910000      1.561000  
1 1 1 20 3  27 o 65.55000 0.9839000 0.9635000      1.968000  
1 1 1 20 3  29 o 57.87000 1.069000  0.6927000      2.139000  
1 1 1 20 3  31 o 44.93000 0.9781000 0.4151000      1.956000  
1 1 1 20 3  33 o 24.05000 1.407000  0.5206000      2.815000  
1 1 1 20 3  35 o 19.03000 1.527000  3.721000       3.054000  
1 1 1 20 3  37 o 17.28000 1.368000  0.7365000      2.737000  
1 1 1 20 3  39 o 10.51000 2.626000  -1.376000      5.253000  
1 1 1 20 3  41 o 23.06000 1.473000  2.398000       2.946000  
1 1 1 20 3  43 o 10.36000 3.119000  2.338000       6.237000  
1 1 1 20 4  0  o 56.24000 1.589000  0.000000       0.000000  
1 1 1 20 4  2  o 18.33000 0.8829000 0.6111000      1.766000  
1 1 1 20 4  4  o 78.23000 1.205000  1.575000       2.410000  
1 1 1 20 4  6  o 41.34000 0.7788000 0.5627000E-01  1.558000  
1 1 1 20 4  8  o 81.47000 1.171000  -1.386000      2.343000  
1 1 1 20 4  10 o 20.56000 0.8661000 -1.632000      1.732000  
1 1 1 20 4  12 o 45.99000 0.7552000 -0.7119000     1.510000  
1 1 1 20 4  14 o 17.68000 0.9270000 1.171000       1.854000  
1 1 1 20 4  16 o 72.05000 1.024000  -4.771000      2.048000  
1 1 1 20 4  18 o 8.714000 1.659000  -1.399000      3.319000  
1 1 1 20 4  20 o 19.55000 0.8094000 -1.770000      1.619000  
1 1 1 20 4  22 o 46.55000 0.7961000 -2.060000      1.592000  
1 1 1 20 4  24 o 22.18000 0.8377000 -1.504000      1.675000  
1 1 1 20 4  26 o 41.68000 0.8361000 -2.008000      1.672000  
1 1 1 20 4  28 o 38.28000 0.8412000 -0.1541000E-02 1.682000  
1 1 1 20 4  30 o 49.68000 0.9284000 2.029000       1.857000  
1 1 1 20 4  32 o 62.44000 1.243000  -1.124000      2.486000  
1 1 1 20 4  34 o 7.206000 2.149000  1.166000       4.297000  
1 1 1 20 4  36 o 18.54000 1.304000  1.241000       2.609000  
1 1 1 20 4  38 o 8.469000 2.167000  2.051000       4.334000  
1 1 1 20 4  40 o 7.428000 2.075000  -1.440000      4.149000  
1 1 1 20 4  42 o 25.71000 1.847000  8.053000       3.695000  
1 1 1 20 5  1  o 113.0000 2.078000  1.710000       4.156000  
1 1 1 20 5  3  o 75.47000 1.259000  -2.759000      2.518000  
1 1 1 20 5  5  o 57.41000 1.008000  -2.652000      2.016000  
1 1 1 20 5  7  o 17.81000 0.8934000 -2.390000      1.787000  
1 1 1 20 5  9  f 72.72000 1.063000  -2.113000      2.127000  
1 1 1 20 5  11 o 65.62000 0.9879000 -2.338000      1.976000  
1 1 1 20 5  13 o 63.70000 0.9656000 -0.4605000E-01 1.931000  
1 1 1 20 5  15 o 51.98000 0.8505000 1.261000       1.701000  
1 1 1 20 5  17 o 45.67000 0.7561000 0.9307000      1.512000  
1 1 1 20 5  19 o 57.16000 0.8383000 -1.665000      1.677000  
1 1 1 20 5  21 o 48.40000 0.7647000 0.8590000      1.529000  
1 1 1 20 5  23 f 42.50000 0.7900000 2.785000       1.580000  
1 1 1 20 5  25 o 61.61000 1.034000  -0.3238000E-01 2.068000  
1 1 1 20 5  27 o 40.59000 0.7866000 -1.908000      1.573000  
1 1 1 20 5  29 o 43.77000 0.8501000 0.6109000      1.700000  
1 1 1 20 5  31 o 44.77000 1.044000  1.837000       2.088000  
1 1 1 20 5  33 o 25.45000 1.481000  0.5232000      2.963000  
1 1 1 20 5  35 o 8.341000 2.243000  0.2104000      4.485000  
1 1 1 20 5  37 o 12.35000 1.923000  1.122000       3.846000  
1 1 1 20 5  39 o 6.351000 1.962000  -0.7360000     3.923000  
1 1 1 20 5  41 o 12.11000 1.961000  1.214000       3.921000  
1 1 1 20 6  0  o 33.34000 1.254000  0.000000       0.000000  
1 1 1 20 6  2  o 73.32000 1.553000  0.1144000      3.105000  
1 1 1 20 6  4  o 76.30000 1.256000  0.5677000      2.512000  
1 1 1 20 6  6  o 35.18000 0.6854000 -2.826000      1.371000  
1 1 1 20 6  8  o 57.32000 0.8877000 -0.9597000     1.775000  
1 1 1 20 6  10 o 41.44000 0.7711000 1.230000       1.542000  
1 1 1 20 6  12 o 20.81000 0.8862000 -2.270000      1.772000  
1 1 1 20 6  14 o 44.20000 0.7860000 2.148000       1.572000  
1 1 1 20 6  16 o 60.00000 0.9290000 1.419000       1.858000  
1 1 1 20 6  18 o 31.41000 0.7619000 -0.2142000     1.524000  
1 1 1 20 6  20 o 43.80000 0.9076000 0.6151000      1.815000  
1 1 1 20 6  22 o 25.44000 1.016000  -1.337000      2.032000  
1 1 1 20 6  24 o 48.98000 1.046000  0.1415000      2.092000  
1 1 1 20 6  26 o 27.94000 0.9632000 1.723000       1.926000  
1 1 1 20 6  28 o 26.50000 0.9878000 -0.3497000E-01 1.976000  
1 1 1 20 6  30 o 48.45000 1.283000  -3.436000      2.567000  
1 1 1 20 6  32 o 39.28000 1.349000  -3.843000      2.697000  
1 1 1 20 6  34 o 44.27000 1.429000  0.6424000      2.857000  
1 1 1 20 6  36 o 23.99000 1.325000  -0.1131000     2.649000  
1 1 1 20 6  38 o 42.73000 1.364000  1.582000       2.727000  
1 1 1 20 6  40 o 11.97000 2.348000  -6.255000      4.697000  
1 1 1 20 6  42 o 24.23000 3.817000  7.192000       7.635000  
1 1 1 20 7  1  o 25.91000 0.7752000 0.7587000      1.550000  
1 1 1 20 7  3  o 65.70000 1.427000  -1.446000      2.854000  
1 1 1 20 7  5  o 43.56000 0.9000000 -2.329000      1.800000  
1 1 1 20 7  7  o 63.65000 0.9562000 0.1239000      1.912000  
1 1 1 20 7  9  o 102.3000 1.446000  1.628000       2.892000  
1 1 1 20 7  11 o 80.36000 1.114000  1.569000       2.228000  
1 1 1 20 7  13 o 66.09000 0.9551000 -2.517000      1.910000  
1 1 1 20 7  15 o 73.50000 1.091000  2.029000       2.181000  
1 1 1 20 7  17 o 25.95000 0.7920000 -2.006000      1.584000  
1 1 1 20 7  19 o 44.72000 0.8152000 -0.4339000     1.630000  
1 1 1 20 7  21 f 52.07000 0.8738000 2.638000       1.748000  
1 1 1 20 7  23 o 79.64000 1.203000  -0.2392000     2.406000  
1 1 1 20 7  25 f 39.47000 0.9120000 1.076000       1.824000  
1 1 1 20 7  27 o 11.82000 1.728000  -0.9278000     3.456000  
1 1 1 20 7  29 o 38.61000 1.066000  -2.566000      2.132000  
1 1 1 20 7  31 o 11.50000 2.563000  0.9974000      5.125000  
1 1 1 20 7  33 f 36.75000 1.399000  2.105000       2.798000  
1 1 1 20 7  35 o 50.38000 1.138000  -0.6341000     2.276000  
1 1 1 20 7  37 o 11.21000 2.317000  0.4293000      4.634000  
1 1 1 20 7  39 o 15.75000 5.137000  16.90000       10.27000  
1 1 1 20 7  41 o 6.007000 2.792000  ?              ?         
1 1 1 20 8  0  f 14.54000 1.383000  0.000000       0.000000  
1 1 1 20 8  2  o 78.36000 1.612000  -0.1585000     3.224000  
1 1 1 20 8  4  o 37.24000 0.7319000 0.2218000      1.464000  
1 1 1 20 8  6  o 85.30000 1.224000  -1.339000      2.448000  
1 1 1 20 8  8  o 101.0000 1.430000  1.046000       2.859000  
1 1 1 20 8  10 o 76.42000 1.118000  2.080000       2.237000  
1 1 1 20 8  12 o 90.12000 1.380000  1.805000       2.761000  
1 1 1 20 8  14 o 18.54000 0.9924000 2.683000       1.985000  
1 1 1 20 8  16 o 68.63000 1.026000  1.168000       2.053000  
1 1 1 20 8  18 o 40.21000 0.7346000 -1.644000      1.469000  
1 1 1 20 8  20 o 13.89000 1.168000  0.3784000      2.336000  
1 1 1 20 8  22 o 39.59000 0.7797000 -0.4937000     1.559000  
1 1 1 20 8  24 o 33.31000 0.9025000 -0.9520000     1.805000  
1 1 1 20 8  26 o 9.468000 1.842000  1.119000       3.685000  
1 1 1 20 8  28 o 22.23000 1.098000  1.203000       2.197000  
1 1 1 20 8  30 o 17.03000 1.634000  2.371000       3.269000  
1 1 1 20 8  32 o 27.22000 1.701000  -4.373000      3.402000  
1 1 1 20 8  34 o 32.41000 1.204000  0.9333000      2.407000  
1 1 1 20 8  36 o 27.88000 1.255000  2.288000       2.509000  
1 1 1 20 8  38 o 25.24000 1.377000  3.622000       2.755000  
1 1 1 20 8  40 o 9.651000 2.540000  -1.596000      5.080000  
1 1 1 20 8  42 o 10.01000 2.933000  -1.042000      5.866000  
1 1 1 20 9  1  o 32.59000 0.7822000 -2.293000      1.564000  
1 1 1 20 9  3  o 69.36000 1.150000  0.4262000E-01  2.299000  
1 1 1 20 9  5  o 66.10000 0.9477000 -1.094000      1.895000  
1 1 1 20 9  7  o 40.78000 0.7659000 0.4421000      1.532000  
1 1 1 20 9  9  o 86.94000 1.249000  1.724000       2.499000  
1 1 1 20 9  11 o 39.68000 0.7657000 0.5071000      1.531000  
1 1 1 20 9  13 o 88.72000 1.278000  -0.3956000     2.557000  
1 1 1 20 9  15 o 40.24000 0.7740000 0.4219000      1.548000  
1 1 1 20 9  17 o 34.14000 0.7475000 -0.2444000     1.495000  
1 1 1 20 9  19 o 49.22000 0.8219000 0.1712000E-01  1.644000  
1 1 1 20 9  21 o 44.19000 0.7947000 2.345000       1.589000  
1 1 1 20 9  23 o 32.45000 0.8188000 -4.434000      1.638000  
1 1 1 20 9  25 o 21.08000 1.053000  1.769000       2.105000  
1 1 1 20 9  27 o 13.52000 1.511000  1.062000       3.022000  
1 1 1 20 9  29 f 12.61000 1.904000  1.435000       3.807000  
1 1 1 20 9  31 o 36.93000 1.242000  -2.107000      2.484000  
1 1 1 20 9  33 o 30.74000 1.309000  -0.5953000     2.618000  
1 1 1 20 9  35 o 35.97000 1.165000  -2.694000      2.330000  
1 1 1 20 9  37 o 11.29000 2.270000  0.8309000      4.541000  
1 1 1 20 9  39 o 27.73000 4.814000  -11.10000      9.628000  
1 1 1 20 9  41 o 14.95000 2.553000  -8.685000      5.107000  
1 1 1 20 10 0  o 11.37000 2.170000  0.000000       0.000000  
1 1 1 20 10 2  o 45.71000 0.8823000 -0.8190000E-02 1.765000  
1 1 1 20 10 4  f 59.19000 0.9814000 -1.854000      1.963000  
1 1 1 20 10 6  o 36.74000 0.7788000 1.822000       1.558000  
1 1 1 20 10 8  o 80.96000 1.130000  -0.3998000     2.261000  
1 1 1 20 10 10 o 41.06000 0.7572000 1.459000       1.514000  
1 1 1 20 10 12 f 139.4000 1.856000  1.829000       3.713000  
1 1 1 20 10 14 o 86.36000 1.201000  -1.392000      2.403000  
1 1 1 20 10 16 o 37.44000 0.7503000 0.4370000      1.501000  
1 1 1 20 10 18 o 37.02000 0.7408000 -2.948000      1.482000  
1 1 1 20 10 20 f 82.50000 1.121000  0.6906000      2.242000  
1 1 1 20 10 22 o 23.87000 0.7943000 -5.009000      1.589000  
1 1 1 20 10 24 o 38.58000 0.9004000 -1.918000      1.801000  
1 1 1 20 10 26 o 9.987000 1.805000  -0.9945000     3.611000  
1 1 1 20 10 28 o 15.54000 1.401000  1.685000       2.802000  
1 1 1 20 10 30 o 6.662000 2.104000  3.345000       4.208000  
1 1 1 20 10 32 o 37.95000 1.434000  3.362000       2.867000  
1 1 1 20 10 34 o 32.09000 1.155000  0.1199000      2.310000  
1 1 1 20 10 36 o 46.56000 1.571000  0.3071000      3.142000  
1 1 1 20 10 38 o 17.80000 1.783000  5.637000       3.565000  
1 1 1 20 10 40 o 32.36000 1.547000  ?              ?         
1 1 1 20 11 1  o 52.62000 0.8719000 -3.635000      1.744000  
1 1 1 20 11 3  o 57.80000 0.9777000 1.308000       1.955000  
1 1 1 20 11 5  o 88.45000 1.182000  3.037000       2.363000  
1 1 1 20 11 7  o 51.69000 0.7936000 0.5461000      1.587000  
1 1 1 20 11 9  o 58.68000 0.8873000 3.739000       1.775000  
1 1 1 20 11 11 o 66.60000 0.9798000 -0.1936000     1.960000  
1 1 1 20 11 13 f 42.76000 0.8533000 -1.849000      1.707000  
1 1 1 20 11 15 o 21.54000 0.8750000 0.3331000      1.750000  
1 1 1 20 11 17 o 33.81000 0.7243000 -0.7640000     1.449000  
1 1 1 20 11 19 o 63.92000 0.9358000 2.017000       1.872000  
1 1 1 20 11 21 o 8.396000 1.742000  0.9936000      3.485000  
1 1 1 20 11 23 o 49.32000 0.8421000 2.456000       1.684000  
1 1 1 20 11 25 o 5.931000 1.685000  -0.7740000     3.371000  
1 1 1 20 11 27 o 20.31000 1.095000  0.5429000      2.189000  
1 1 1 20 11 29 o 19.79000 1.590000  -3.031000      3.181000  
1 1 1 20 11 31 f 47.95000 1.246000  -4.623000      2.492000  
1 1 1 20 11 33 o 16.87000 1.834000  4.494000       3.668000  
1 1 1 20 11 35 o 12.52000 2.393000  4.751000       4.786000  
1 1 1 20 11 37 o 28.48000 1.269000  0.4930000      2.539000  
1 1 1 20 11 39 o 20.78000 4.258000  -5.891000      8.515000  
1 1 1 20 11 41 o 23.74000 2.216000  -6.716000      4.433000  
1 1 1 20 12 0  o 36.86000 1.222000  0.000000       0.000000  
1 1 1 20 12 2  o 33.32000 0.7456000 0.3935000      1.491000  
1 1 1 20 12 4  o 30.17000 0.7740000 -0.6083000     1.548000  
1 1 1 20 12 6  o 40.75000 0.7412000 1.161000       1.482000  
1 1 1 20 12 8  o 61.53000 0.9013000 2.366000       1.803000  
1 1 1 20 12 10 o 31.62000 0.7680000 -3.178000      1.536000  
1 1 1 20 12 12 f 70.39000 1.017000  1.900000       2.034000  
1 1 1 20 12 14 o 83.60000 1.228000  -0.7300000     2.457000  
1 1 1 20 12 16 o 54.31000 0.8479000 1.958000       1.696000  
1 1 1 20 12 18 o 104.5000 1.382000  5.359000       2.765000  
1 1 1 20 12 20 o 30.47000 0.7732000 -0.7175000     1.546000  
1 1 1 20 12 22 o 47.72000 1.003000  2.612000       2.006000  
1 1 1 20 12 24 o 29.49000 0.8037000 3.381000       1.607000  
1 1 1 20 12 26 o 23.84000 0.8496000 1.224000       1.699000  
1 1 1 20 12 28 o 15.86000 1.703000  -0.8073000E-01 3.406000  
1 1 1 20 12 30 o 49.39000 1.332000  -1.597000      2.665000  
1 1 1 20 12 32 o 32.79000 1.352000  2.723000       2.705000  
1 1 1 20 12 34 o 32.42000 1.157000  -0.5259000     2.313000  
1 1 1 20 12 36 o 7.215000 2.154000  1.168000       4.307000  
1 1 1 20 12 38 o 9.767000 2.377000  0.8963000      4.754000  
1 1 1 20 12 40 o 7.444000 2.433000  1.679000       4.866000  
1 1 1 20 13 1  o 67.26000 1.110000  0.4680000      2.220000  
1 1 1 20 13 3  o 55.94000 0.8553000 -0.7264000E-01 1.711000  
1 1 1 20 13 5  o 83.94000 1.213000  1.136000       2.426000  
1 1 1 20 13 7  o 76.54000 1.050000  1.821000       2.100000  
1 1 1 20 13 9  o 7.238000 1.866000  0.5890000      3.731000  
1 1 1 20 13 11 o 24.47000 0.8510000 1.341000       1.702000  
1 1 1 20 13 13 f 54.01000 0.9016000 -0.1226000E-01 1.803000  
1 1 1 20 13 15 o 8.487000 1.759000  1.289000       3.518000  
1 1 1 20 13 17 o 29.67000 0.7750000 0.3466000      1.550000  
1 1 1 20 13 19 o 31.82000 0.9618000 3.645000       1.924000  
1 1 1 20 13 21 o 41.56000 0.8275000 -0.4932000     1.655000  
1 1 1 20 13 23 o 35.79000 0.8103000 -1.029000      1.621000  
1 1 1 20 13 25 o 8.323000 1.881000  -1.727000      3.762000  
1 1 1 20 13 27 o 11.56000 1.820000  1.410000       3.641000  
1 1 1 20 13 29 o 13.78000 2.318000  6.168000       4.635000  
1 1 1 20 13 31 o 5.783000 1.969000  -0.7894000     3.938000  
1 1 1 20 13 33 o 16.07000 1.825000  0.3303000      3.650000  
1 1 1 20 13 35 o 21.97000 1.733000  -0.1920000     3.466000  
1 1 1 20 13 37 o 16.00000 2.076000  0.1476000      4.152000  
1 1 1 20 13 39 o 9.845000 2.615000  -3.699000      5.230000  
1 1 1 20 14 0  o 67.09000 1.373000  0.000000       0.000000  
1 1 1 20 14 2  o 44.71000 0.8384000 -1.018000      1.677000  
1 1 1 20 14 4  o 50.47000 0.8532000 1.116000       1.706000  
1 1 1 20 14 6  o 77.02000 1.138000  2.518000       2.277000  
1 1 1 20 14 8  o 45.88000 0.7998000 0.1924000      1.600000  
1 1 1 20 14 10 o 55.27000 0.9786000 3.986000       1.957000  
1 1 1 20 14 12 o 31.68000 0.9300000 0.1551000      1.860000  
1 1 1 20 14 14 o 63.12000 1.014000  4.886000       2.028000  
1 1 1 20 14 16 o 54.38000 0.9410000 0.2971000      1.882000  
1 1 1 20 14 18 o 38.50000 0.7855000 -3.437000      1.571000  
1 1 1 20 14 20 o 38.57000 0.8116000 -3.473000      1.623000  
1 1 1 20 14 22 o 46.76000 0.8868000 0.7293000      1.774000  
1 1 1 20 14 24 o 52.12000 0.9318000 -2.278000      1.864000  
1 1 1 20 14 26 o 16.15000 1.408000  0.8891000E-01  2.815000  
1 1 1 20 14 28 o 12.50000 2.109000  0.7716000      4.219000  
1 1 1 20 14 30 o 6.997000 2.317000  2.228000       4.634000  
1 1 1 20 14 32 o 19.53000 1.618000  -1.764000      3.236000  
1 1 1 20 14 34 o 16.80000 2.264000  3.659000       4.527000  
1 1 1 20 14 36 o 13.85000 2.379000  -1.540000      4.758000  
1 1 1 20 14 38 o 18.27000 1.734000  -3.025000      3.467000  
1 1 1 20 14 40 o 18.68000 2.717000  -0.7088000E-01 5.434000  
1 1 1 20 15 1  o 126.2000 1.903000  -1.939000      3.806000  
1 1 1 20 15 3  o 93.98000 1.367000  4.659000       2.734000  
1 1 1 20 15 5  o 39.65000 0.8298000 2.435000       1.660000  
1 1 1 20 15 7  o 39.17000 0.8223000 -2.363000      1.645000  
1 1 1 20 15 9  o 21.36000 1.339000  -5.305000      2.678000  
1 1 1 20 15 11 o 50.24000 0.9299000 -0.5124000     1.860000  
1 1 1 20 15 13 o 29.11000 0.9310000 2.842000       1.862000  
1 1 1 20 15 15 o 26.00000 1.055000  0.2618000      2.110000  
1 1 1 20 15 17 o 43.90000 0.9994000 -3.453000      1.999000  
1 1 1 20 15 19 o 30.69000 1.015000  2.193000       2.030000  
1 1 1 20 15 21 o 46.30000 1.037000  -1.275000      2.074000  
1 1 1 20 15 23 o 46.55000 0.8809000 -4.446000      1.762000  
1 1 1 20 15 25 o 30.70000 0.9339000 -2.316000      1.868000  
1 1 1 20 15 27 o 45.26000 1.058000  3.381000       2.116000  
1 1 1 20 15 29 o 11.43000 2.557000  -7.074000      5.114000  
1 1 1 20 15 31 o 21.68000 1.593000  -3.332000      3.186000  
1 1 1 20 15 33 o 19.07000 1.564000  2.031000       3.128000  
1 1 1 20 15 35 o 10.92000 2.281000  5.797000       4.562000  
1 1 1 20 15 37 o 15.85000 2.011000  0.4189000      4.022000  
1 1 1 20 15 39 o 38.32000 2.319000  10.56000       4.637000  
1 1 1 20 16 0  f 53.35000 1.349000  0.000000       0.000000  
1 1 1 20 16 2  o 7.825000 2.029000  -0.1091000     4.057000  
1 1 1 20 16 4  o 40.38000 0.8893000 -2.138000      1.779000  
1 1 1 20 16 6  o 41.36000 0.8534000 -2.310000      1.707000  
1 1 1 20 16 8  o 99.72000 1.447000  1.804000       2.893000  
1 1 1 20 16 10 o 53.02000 0.9482000 1.268000       1.896000  
1 1 1 20 16 12 o 42.96000 0.9449000 -1.060000      1.890000  
1 1 1 20 16 14 o 15.17000 1.530000  0.5519000      3.061000  
1 1 1 20 16 16 o 21.55000 1.232000  -0.4852000     2.465000  
1 1 1 20 16 18 o 11.86000 1.847000  0.6169000      3.695000  
1 1 1 20 16 20 o 20.71000 1.407000  -2.141000      2.814000  
1 1 1 20 16 22 o 18.20000 1.174000  2.494000       2.348000  
1 1 1 20 16 24 o 7.611000 1.956000  -0.6052000     3.911000  
1 1 1 20 16 26 o 32.52000 1.267000  1.133000       2.533000  
1 1 1 20 16 28 o 23.43000 2.067000  -1.368000      4.134000  
1 1 1 20 16 30 o 25.46000 1.572000  -0.5653000     3.144000  
1 1 1 20 16 32 o 8.889000 2.158000  2.449000       4.315000  
1 1 1 20 16 34 o 21.53000 1.756000  5.177000       3.512000  
1 1 1 20 16 36 o 11.13000 2.337000  4.005000       4.675000  
1 1 1 20 16 38 o 9.189000 2.676000  -2.323000      5.351000  
1 1 1 20 17 1  o 35.17000 0.8934000 -0.4935000     1.787000  
1 1 1 20 17 3  o 35.71000 0.8100000 -0.4935000     1.620000  
1 1 1 20 17 5  o 21.39000 2.098000  -1.337000      4.196000  
1 1 1 20 17 7  o 43.97000 1.020000  2.452000       2.040000  
1 1 1 20 17 9  o 82.11000 1.258000  -2.400000      2.516000  
1 1 1 20 17 11 o 44.70000 0.9918000 -0.3927000     1.984000  
1 1 1 20 17 13 o 54.67000 1.081000  1.789000       2.163000  
1 1 1 20 17 15 o 31.43000 1.058000  -2.596000      2.117000  
1 1 1 20 17 17 o 29.14000 1.067000  2.425000       2.133000  
1 1 1 20 17 19 o 17.71000 1.397000  -1.279000      2.793000  
1 1 1 20 17 21 o 8.595000 2.043000  1.717000       4.086000  
1 1 1 20 17 23 o 21.56000 1.179000  -0.7971000     2.357000  
1 1 1 20 17 25 o 23.52000 1.245000  -0.9631000     2.490000  
1 1 1 20 17 27 o 50.60000 1.298000  1.673000       2.595000  
1 1 1 20 17 29 o 6.241000 2.028000  -0.7845000     4.055000  
1 1 1 20 17 31 o 14.49000 4.373000  9.568000       8.747000  
1 1 1 20 17 33 o 22.53000 1.944000  1.074000       3.889000  
1 1 1 20 17 35 o 29.40000 1.208000  3.690000       2.416000  
1 1 1 20 17 37 o 11.89000 2.842000  -1.692000      5.684000  
1 1 1 20 17 39 o 10.85000 3.137000  -2.236000      6.274000  
1 1 1 20 18 0  o 25.11000 1.735000  0.000000       0.000000  
1 1 1 20 18 2  o 30.16000 0.8954000 -2.020000      1.791000  
1 1 1 20 18 4  o 59.21000 1.036000  -0.7596000     2.072000  
1 1 1 20 18 6  o 44.57000 1.426000  1.644000       2.852000  
1 1 1 20 18 8  o 68.64000 1.146000  0.2543000      2.292000  
1 1 1 20 18 10 o 37.29000 1.011000  -1.216000      2.021000  
1 1 1 20 18 12 o 69.90000 1.159000  -1.725000      2.319000  
1 1 1 20 18 14 o 36.31000 1.091000  1.302000       2.182000  
1 1 1 20 18 16 o 37.27000 1.124000  -0.5556000     2.248000  
1 1 1 20 18 18 o 32.01000 1.032000  -2.561000      2.065000  
1 1 1 20 18 20 o 51.45000 1.108000  -1.421000      2.216000  
1 1 1 20 18 22 o 24.72000 1.121000  -4.099000      2.241000  
1 1 1 20 18 24 o 26.87000 1.194000  1.609000       2.389000  
1 1 1 20 18 26 o 47.91000 1.259000  1.781000       2.518000  
1 1 1 20 18 28 o 14.09000 2.366000  7.526000       4.732000  
1 1 1 20 18 30 o 13.61000 2.200000  0.9813000      4.400000  
1 1 1 20 18 32 f 31.40000 5.262000  0.7371000      10.52000  
1 1 1 20 18 34 o 24.45000 4.399000  -4.455000      8.798000  
1 1 1 20 18 36 o 9.580000 2.761000  -0.3095000     5.522000  
1 1 1 20 18 38 o 9.243000 3.113000  ?              ?         
1 1 1 20 19 1  o 61.66000 1.020000  3.511000       2.039000  
1 1 1 20 19 3  o 49.47000 1.047000  0.8786000E-01  2.093000  
1 1 1 20 19 5  o 62.06000 1.082000  -0.7402000     2.164000  
1 1 1 20 19 7  o 44.59000 1.559000  -0.2138000     3.117000  
1 1 1 20 19 9  o 45.51000 1.049000  1.639000       2.098000  
1 1 1 20 19 11 o 48.42000 1.111000  -0.9637000     2.222000  
1 1 1 20 19 13 o 28.15000 1.213000  -1.417000      2.426000  
1 1 1 20 19 15 o 38.28000 1.070000  -3.903000      2.140000  
1 1 1 20 19 17 o 33.73000 1.071000  -0.9578000     2.142000  
1 1 1 20 19 19 o 24.29000 1.227000  2.273000       2.455000  
1 1 1 20 19 21 o 29.94000 1.123000  4.228000       2.246000  
1 1 1 20 19 23 o 50.39000 1.199000  -4.236000      2.399000  
1 1 1 20 19 25 o 9.811000 2.633000  2.338000       5.266000  
1 1 1 20 19 27 o 7.484000 2.284000  4.330000       4.568000  
1 1 1 20 19 29 o 22.15000 1.257000  3.041000       2.514000  
1 1 1 20 19 31 o 14.62000 4.060000  2.195000       8.120000  
1 1 1 20 19 33 o 12.39000 3.982000  9.308000       7.964000  
1 1 1 20 19 35 o 31.74000 3.932000  -5.204000      7.864000  
1 1 1 20 19 37 o 33.43000 2.030000  -3.607000      4.060000  
1 1 1 20 20 0  o 55.21000 1.343000  0.000000       0.000000  
1 1 1 20 20 2  f 68.07000 1.146000  -0.9849000     2.292000  
1 1 1 20 20 4  o 82.39000 1.254000  1.164000       2.507000  
1 1 1 20 20 6  o 21.81000 1.517000  5.117000       3.034000  
1 1 1 20 20 8  o 24.03000 4.344000  2.042000       8.688000  
1 1 1 20 20 10 o 36.49000 1.154000  3.682000       2.308000  
1 1 1 20 20 12 o 22.89000 1.535000  -1.498000      3.070000  
1 1 1 20 20 14 o 21.48000 1.475000  -1.063000      2.951000  
1 1 1 20 20 16 o 44.95000 1.145000  1.550000       2.290000  
1 1 1 20 20 18 o 37.95000 1.112000  -4.355000      2.223000  
1 1 1 20 20 20 o 26.24000 1.200000  -3.424000      2.399000  
1 1 1 20 20 22 o 23.39000 1.352000  -0.8713000     2.703000  
1 1 1 20 20 24 o 43.26000 1.361000  0.5422000      2.722000  
1 1 1 20 20 26 o 9.562000 2.598000  4.991000       5.197000  
1 1 1 20 20 28 o 25.54000 1.425000  -3.159000      2.850000  
1 1 1 20 20 30 o 28.48000 1.204000  -2.974000      2.408000  
1 1 1 20 20 32 o 11.35000 3.744000  9.395000       7.487000  
1 1 1 20 20 34 o 16.61000 2.536000  -9.948000      5.072000  
1 1 1 20 20 36 o 12.41000 2.700000  -5.415000      5.400000  
1 1 1 20 21 1  o 15.92000 2.277000  0.3684000      4.554000  
1 1 1 20 21 3  o 11.70000 2.236000  7.713000       4.472000  
1 1 1 20 21 5  o 20.87000 1.686000  0.5948000      3.372000  
1 1 1 20 21 7  o 88.31000 1.341000  -1.694000      2.682000  
1 1 1 20 21 9  o 43.28000 1.647000  1.340000       3.293000  
1 1 1 20 21 11 o 39.03000 1.115000  -0.1329000     2.230000  
1 1 1 20 21 13 o 36.99000 1.166000  1.128000       2.332000  
1 1 1 20 21 15 o 67.40000 1.308000  1.582000       2.616000  
1 1 1 20 21 17 o 35.64000 1.242000  0.5409000      2.484000  
1 1 1 20 21 19 o 21.46000 1.507000  -1.801000      3.014000  
1 1 1 20 21 21 o 28.41000 1.241000  -3.098000      2.482000  
1 1 1 20 21 23 o 33.35000 1.430000  1.472000       2.860000  
1 1 1 20 21 25 o 34.06000 1.555000  4.022000       3.110000  
1 1 1 20 21 27 o 28.89000 1.417000  -2.007000      2.834000  
1 1 1 20 21 29 o 29.72000 1.290000  0.1833000      2.580000  
1 1 1 20 21 31 o 20.56000 3.687000  -2.599000      7.374000  
1 1 1 20 21 33 o 17.44000 1.496000  -5.863000      2.993000  
1 1 1 20 21 35 o 11.58000 3.875000  7.825000       7.749000  
1 1 1 20 22 0  o 45.15000 1.453000  0.000000       0.000000  
1 1 1 20 22 2  o 32.89000 1.381000  -1.170000      2.763000  
1 1 1 20 22 4  o 56.03000 1.106000  -2.673000      2.213000  
1 1 1 20 22 6  o 27.73000 1.362000  -2.470000      2.724000  
1 1 1 20 22 8  o 31.13000 1.278000  1.258000       2.556000  
1 1 1 20 22 10 o 46.28000 1.794000  -0.5999000     3.587000  
1 1 1 20 22 12 o 21.69000 1.573000  3.073000       3.146000  
1 1 1 20 22 14 o 48.16000 1.162000  -2.101000      2.325000  
1 1 1 20 22 16 o 40.87000 1.191000  -2.307000      2.383000  
1 1 1 20 22 18 o 41.21000 1.243000  1.351000       2.486000  
1 1 1 20 22 20 o 33.27000 1.280000  -2.038000      2.560000  
1 1 1 20 22 22 o 13.11000 2.779000  2.282000       5.559000  
1 1 1 20 22 24 f 32.19000 1.873000  3.768000       3.747000  
1 1 1 20 22 26 o 21.64000 1.885000  2.032000       3.769000  
1 1 1 20 22 28 o 57.06000 1.381000  -0.3496000     2.763000  
1 1 1 20 22 30 o 24.33000 1.232000  -1.784000      2.464000  
1 1 1 20 22 32 o 23.20000 3.910000  -5.966000      7.820000  
1 1 1 20 22 34 o 30.42000 1.342000  2.232000       2.684000  
1 1 1 20 23 1  o 20.86000 1.652000  1.825000       3.305000  
1 1 1 20 23 3  f 47.34000 1.165000  2.303000       2.329000  
1 1 1 20 23 5  o 37.44000 1.205000  -0.6512000     2.411000  
1 1 1 20 23 7  o 27.83000 1.376000  -1.381000      2.751000  
1 1 1 20 23 9  o 53.60000 1.147000  -0.8751000     2.294000  
1 1 1 20 23 11 o 22.98000 3.178000  -1.166000      6.355000  
1 1 1 20 23 13 o 10.78000 2.619000  2.830000       5.237000  
1 1 1 20 23 15 o 29.22000 1.305000  2.834000       2.609000  
1 1 1 20 23 17 o 13.15000 2.521000  4.642000       5.042000  
1 1 1 20 23 19 o 10.26000 2.474000  -2.174000      4.948000  
1 1 1 20 23 21 o 27.15000 2.316000  1.592000       4.633000  
1 1 1 20 23 23 o 35.87000 1.698000  3.832000       3.396000  
1 1 1 20 23 25 o 32.72000 1.540000  2.234000       3.080000  
1 1 1 20 23 27 o 37.62000 1.189000  0.1019000      2.378000  
1 1 1 20 23 29 o 8.063000 2.312000  -1.486000      4.625000  
1 1 1 20 23 31 o 9.605000 2.441000  -1.390000      4.883000  
1 1 1 20 23 33 o 9.863000 2.803000  -2.174000      5.606000  
1 1 1 20 23 35 o 9.795000 2.974000  2.813000       5.949000  
1 1 1 20 24 0  o 51.18000 1.457000  0.000000       0.000000  
1 1 1 20 24 2  f 28.89000 1.309000  0.4600000      2.617000  
1 1 1 20 24 4  o 15.26000 2.306000  1.703000       4.612000  
1 1 1 20 24 6  o 14.34000 2.417000  -1.553000      4.834000  
1 1 1 20 24 8  o 25.13000 1.589000  4.020000       3.179000  
1 1 1 20 24 10 o 29.70000 1.344000  -1.245000      2.687000  
1 1 1 20 24 12 o 19.92000 4.246000  1.513000       8.493000  
1 1 1 20 24 14 f 29.73000 1.397000  1.109000       2.794000  
1 1 1 20 24 16 o 47.34000 1.495000  1.001000       2.991000  
1 1 1 20 24 18 o 55.93000 1.600000  -1.709000      3.200000  
1 1 1 20 24 20 o 30.90000 2.912000  -4.345000      5.824000  
1 1 1 20 24 22 o 14.50000 3.145000  -1.121000      6.289000  
1 1 1 20 24 24 o 16.69000 2.055000  -2.648000      4.111000  
1 1 1 20 24 26 o 24.13000 1.411000  0.9785000      2.821000  
1 1 1 20 24 28 o 36.15000 1.298000  3.769000       2.595000  
1 1 1 20 24 30 o 7.883000 2.298000  1.052000       4.595000  
1 1 1 20 24 32 o 10.27000 2.236000  -1.780000      4.471000  
1 1 1 20 24 34 o 20.47000 3.165000  -0.1616000E-01 6.330000  
1 1 1 20 25 1  o 47.57000 1.451000  -0.7471000     2.902000  
1 1 1 20 25 3  o 62.68000 1.352000  -3.640000      2.703000  
1 1 1 20 25 5  o 36.27000 1.443000  -0.6117000     2.885000  
1 1 1 20 25 7  o 41.52000 1.374000  -1.467000      2.748000  
1 1 1 20 25 9  o 41.48000 1.445000  0.9598000      2.891000  
1 1 1 20 25 11 o 60.76000 1.509000  -2.504000      3.019000  
1 1 1 20 25 13 o 20.18000 3.604000  -6.551000      7.208000  
1 1 1 20 25 15 o 16.02000 2.965000  0.1538000      5.930000  
1 1 1 20 25 17 o 27.39000 2.366000  7.297000       4.731000  
1 1 1 20 25 19 o 22.30000 2.644000  8.202000       5.287000  
1 1 1 20 25 21 o 46.73000 1.551000  3.512000       3.102000  
1 1 1 20 25 23 o 57.07000 1.394000  -0.8523000     2.787000  
1 1 1 20 25 25 o 44.72000 1.303000  1.199000       2.606000  
1 1 1 20 25 27 o 26.88000 1.446000  0.5012000      2.892000  
1 1 1 20 25 29 o 25.95000 4.014000  -4.219000      8.029000  
1 1 1 20 25 31 o 29.46000 1.243000  -0.7901000     2.486000  
1 1 1 20 25 33 o 30.58000 1.885000  7.775000       3.771000  
1 1 1 20 26 0  o 40.01000 2.063000  0.000000       0.000000  
1 1 1 20 26 2  o 9.738000 2.851000  1.258000       5.703000  
1 1 1 20 26 4  o 11.81000 3.094000  -3.530000      6.189000  
1 1 1 20 26 6  o 18.38000 2.420000  0.6842000      4.841000  
1 1 1 20 26 8  o 18.79000 2.465000  -1.239000      4.930000  
1 1 1 20 26 10 o 15.19000 2.869000  4.078000       5.739000  
1 1 1 20 26 12 o 48.05000 1.446000  3.854000       2.891000  
1 1 1 20 26 14 o 54.91000 3.119000  -7.324000      6.237000  
1 1 1 20 26 16 o 49.42000 1.460000  -4.425000      2.919000  
1 1 1 20 26 18 o 64.41000 1.813000  3.296000       3.627000  
1 1 1 20 26 20 f 29.45000 1.889000  0.5801000      3.778000  
1 1 1 20 26 22 o 16.82000 2.485000  -5.055000      4.970000  
1 1 1 20 26 24 o 23.76000 1.718000  -1.171000      3.436000  
1 1 1 20 26 26 o 27.74000 1.482000  -1.106000      2.965000  
1 1 1 20 26 28 o 13.46000 4.020000  11.55000       8.040000  
1 1 1 20 26 30 o 35.27000 1.246000  -2.097000      2.493000  
1 1 1 20 26 32 o 50.81000 1.921000  ?              ?         
1 1 1 20 27 1  o 40.23000 1.298000  -3.168000      2.597000  
1 1 1 20 27 3  o 48.81000 1.261000  -0.7934000     2.523000  
1 1 1 20 27 5  o 34.27000 1.686000  6.444000       3.372000  
1 1 1 20 27 7  f 27.98000 1.685000  -4.019000      3.369000  
1 1 1 20 27 9  o 14.57000 2.658000  -1.618000      5.317000  
1 1 1 20 27 11 o 45.43000 1.621000  1.190000       3.243000  
1 1 1 20 27 13 o 33.10000 2.008000  -4.845000      4.016000  
1 1 1 20 27 15 o 47.17000 1.916000  -1.940000      3.831000  
1 1 1 20 27 17 o 24.68000 4.350000  -3.013000      8.700000  
1 1 1 20 27 19 o 35.89000 1.758000  -1.114000      3.516000  
1 1 1 20 27 21 o 25.21000 1.875000  -1.815000      3.749000  
1 1 1 20 27 23 o 12.55000 3.766000  10.25000       7.532000  
1 1 1 20 27 25 o 9.903000 2.560000  2.706000       5.120000  
1 1 1 20 27 27 o 8.862000 2.483000  4.522000       4.967000  
1 1 1 20 27 29 o 12.37000 2.453000  -3.981000      4.906000  
1 1 1 20 27 31 o 41.86000 2.371000  -6.478000      4.742000  
1 1 1 20 28 0  f 10.71000 4.084000  0.000000       0.000000  
1 1 1 20 28 2  o 52.10000 1.238000  -0.6913000     2.476000  
1 1 1 20 28 4  o 9.393000 2.766000  -0.3516000     5.532000  
1 1 1 20 28 6  o 46.37000 1.407000  -0.5029000     2.814000  
1 1 1 20 28 8  o 22.43000 2.423000  2.321000       4.846000  
1 1 1 20 28 10 o 11.97000 3.152000  -0.6760000     6.304000  
1 1 1 20 28 12 o 24.25000 2.768000  5.350000       5.535000  
1 1 1 20 28 14 o 12.61000 3.521000  0.8682000      7.042000  
1 1 1 20 28 16 o 9.083000 2.587000  -0.9094000     5.174000  
1 1 1 20 28 18 o 15.20000 4.143000  7.021000       8.287000  
1 1 1 20 28 20 o 30.98000 1.761000  1.520000       3.522000  
1 1 1 20 28 22 o 22.14000 1.940000  0.6798000      3.881000  
1 1 1 20 28 24 o 9.223000 2.575000  -1.125000      5.151000  
1 1 1 20 28 26 o 17.09000 2.414000  -1.051000      4.829000  
1 1 1 20 28 28 o 7.832000 2.392000  -1.011000      4.785000  
1 1 1 20 28 30 o 40.64000 1.881000  4.608000       3.762000  
1 1 1 20 29 1  o 14.04000 3.203000  -1.104000      6.405000  
1 1 1 20 29 3  o 10.07000 2.912000  -0.9048000     5.823000  
1 1 1 20 29 5  o 32.75000 1.892000  3.478000       3.785000  
1 1 1 20 29 7  o 9.278000 4.153000  ?              ?         
1 1 1 20 29 9  o 43.92000 1.799000  8.293000       3.598000  
1 1 1 20 29 11 o 44.21000 1.526000  0.2812000      3.052000  
1 1 1 20 29 13 o 21.74000 4.496000  14.46000       8.992000  
1 1 1 20 29 15 o 52.54000 1.623000  5.336000       3.245000  
1 1 1 20 29 17 o 10.32000 2.943000  2.813000       5.885000  
1 1 1 20 29 19 o 23.34000 4.079000  1.080000       8.158000  
1 1 1 20 29 21 o 26.39000 2.051000  0.8258000      4.102000  
1 1 1 20 29 23 o 17.92000 2.408000  -2.249000      4.817000  
1 1 1 20 29 25 o 41.29000 1.396000  1.077000       2.792000  
1 1 1 20 29 27 o 27.78000 2.011000  -7.793000      4.021000  
1 1 1 20 29 29 o 37.83000 2.405000  6.635000       4.809000  
1 1 1 20 30 0  o 31.61000 3.172000  0.000000       0.000000  
1 1 1 20 30 2  o 24.36000 2.899000  2.923000       5.798000  
1 1 1 20 30 4  f 26.26000 2.861000  -3.016000      5.722000  
1 1 1 20 30 6  o 50.09000 1.886000  -2.181000      3.772000  
1 1 1 20 30 8  o 25.35000 2.698000  -1.154000      5.397000  
1 1 1 20 30 10 o 21.49000 3.145000  8.148000       6.291000  
1 1 1 20 30 12 f 13.99000 3.016000  -1.543000      6.031000  
1 1 1 20 30 14 o 24.54000 2.397000  -5.406000      4.795000  
1 1 1 20 30 16 o 14.86000 2.904000  0.4838000E-01  5.809000  
1 1 1 20 30 18 o 44.50000 1.548000  -1.746000      3.096000  
1 1 1 20 30 20 o 23.91000 3.761000  -1.418000      7.521000  
1 1 1 20 30 22 f 8.884000 2.659000  2.374000       5.319000  
1 1 1 20 30 24 o 16.77000 2.322000  -7.037000      4.643000  
1 1 1 20 30 26 f 32.56000 1.789000  ?              ?         
1 1 1 20 30 28 o 24.84000 3.284000  -11.16000      6.568000  
1 1 1 20 31 1  o 8.984000 2.877000  0.2425000      5.753000  
1 1 1 20 31 3  o 24.63000 2.861000  -0.4253000     5.722000  
1 1 1 20 31 5  o 5.649000 2.832000  ?              ?         
1 1 1 20 31 7  f 19.75000 3.259000  -9.680000      6.519000  
1 1 1 20 31 9  o 53.24000 1.622000  2.312000       3.244000  
1 1 1 20 31 11 f 33.46000 1.891000  -3.874000      3.781000  
1 1 1 20 31 13 o 21.00000 2.715000  0.1629000E-01  5.430000  
1 1 1 20 31 15 o 10.56000 2.941000  1.429000       5.882000  
1 1 1 20 31 17 o 21.82000 2.414000  0.8750000      4.827000  
1 1 1 20 31 19 o 33.94000 1.609000  1.692000       3.218000  
1 1 1 20 31 21 o 33.36000 3.417000  -1.027000      6.835000  
1 1 1 20 31 23 o 10.51000 2.657000  -1.251000      5.314000  
1 1 1 20 31 25 o 9.470000 2.715000  -0.2899000     5.429000  
1 1 1 20 31 27 o 7.565000 2.671000  5.007000       5.341000  
1 1 1 20 32 0  o 7.234000 3.378000  0.000000       0.000000  
1 1 1 20 32 2  o 29.26000 2.097000  -1.317000      4.194000  
1 1 1 20 32 4  o 17.76000 2.478000  -1.367000      4.956000  
1 1 1 20 32 6  o 22.70000 2.715000  -1.301000      5.429000  
1 1 1 20 32 8  o 20.12000 3.032000  3.688000       6.065000  
1 1 1 20 32 10 o 31.33000 1.941000  -0.8133000     3.882000  
1 1 1 20 32 12 o 44.92000 1.876000  -2.975000      3.752000  
1 1 1 20 32 14 o 12.09000 2.974000  0.7265000      5.948000  
1 1 1 20 32 16 o 27.30000 2.017000  -1.921000      4.033000  
1 1 1 20 32 18 o 12.77000 2.987000  1.139000       5.975000  
1 1 1 20 32 20 o 16.47000 2.842000  -2.876000      5.684000  
1 1 1 20 32 22 o 7.287000 2.455000  1.504000       4.910000  
1 1 1 20 32 24 o 13.14000 2.817000  -7.001000      5.634000  
1 1 1 20 32 26 o 12.44000 3.289000  -1.328000      6.578000  
1 1 1 20 33 1  f 19.13000 3.459000  1.134000       6.918000  
1 1 1 20 33 3  o 24.40000 2.503000  -1.576000      5.007000  
1 1 1 20 33 5  o 28.49000 2.182000  1.742000       4.364000  
1 1 1 20 33 7  o 45.89000 1.544000  -0.8925000     3.089000  
1 1 1 20 33 9  o 15.88000 3.202000  -0.7296000     6.404000  
1 1 1 20 33 11 o 11.02000 3.155000  -0.2409000     6.311000  
1 1 1 20 33 13 o 28.72000 3.131000  -7.956000      6.262000  
1 1 1 20 33 15 o 23.00000 2.777000  -3.589000      5.554000  
1 1 1 20 33 17 o 37.42000 1.713000  -6.233000      3.427000  
1 1 1 20 33 19 o 16.48000 2.795000  -0.7884000     5.589000  
1 1 1 20 33 21 o 39.15000 2.198000  0.7895000      4.395000  
1 1 1 20 33 23 o 31.86000 2.692000  -12.07000      5.384000  
1 1 1 20 34 0  o 37.95000 2.998000  0.000000       0.000000  
1 1 1 20 34 2  o 32.86000 1.924000  -2.004000      3.848000  
1 1 1 20 34 4  o 27.57000 2.216000  -1.978000      4.431000  
1 1 1 20 34 6  o 37.99000 1.695000  2.754000       3.390000  
1 1 1 20 34 8  o 24.64000 2.333000  4.518000       4.667000  
1 1 1 20 34 10 o 29.26000 2.440000  -4.252000      4.880000  
1 1 1 20 34 12 o 25.56000 2.448000  -1.612000      4.897000  
1 1 1 20 34 14 o 44.15000 1.716000  -1.312000      3.431000  
1 1 1 20 34 16 o 39.01000 1.859000  -3.002000      3.718000  
1 1 1 20 34 18 o 40.07000 1.991000  -0.1288000     3.983000  
1 1 1 20 34 20 o 9.676000 3.098000  1.964000       6.196000  
1 1 1 20 34 22 o 26.42000 2.711000  6.797000       5.423000  
1 1 1 20 35 1  o 24.44000 2.601000  -1.551000      5.201000  
1 1 1 20 35 3  o 22.19000 2.938000  -4.374000      5.876000  
1 1 1 20 35 5  o 18.73000 3.127000  -1.219000      6.253000  
1 1 1 20 35 7  o 10.64000 3.186000  1.534000       6.371000  
1 1 1 20 35 9  o 12.77000 3.463000  0.2745000      6.926000  
1 1 1 20 35 11 o 12.56000 3.410000  -1.790000      6.819000  
1 1 1 20 35 13 o 25.91000 2.263000  -0.8533000     4.526000  
1 1 1 20 35 15 o 15.78000 2.714000  -5.745000      5.428000  
1 1 1 20 35 17 o 14.35000 2.717000  -6.093000      5.435000  
1 1 1 20 35 19 o 29.71000 1.972000  -4.271000      3.944000  
1 1 1 20 35 21 o 10.51000 3.048000  1.834000       6.095000  
1 1 1 20 36 0  o 14.38000 5.069000  0.000000       0.000000  
1 1 1 20 36 2  o 12.97000 3.390000  -1.352000      6.780000  
1 1 1 20 36 4  o 16.13000 3.517000  0.9260000E-01  7.035000  
1 1 1 20 36 6  o 26.66000 2.327000  -1.852000      4.653000  
1 1 1 20 36 8  o 32.77000 2.024000  0.5350000      4.049000  
1 1 1 20 36 10 o 14.86000 4.098000  -2.725000      8.196000  
1 1 1 20 36 12 o 21.30000 2.993000  -6.433000      5.986000  
1 1 1 20 36 14 o 24.78000 2.567000  -3.743000      5.135000  
1 1 1 20 36 16 o 9.226000 2.739000  -0.9646000     5.478000  
1 1 1 20 36 18 o 28.86000 2.202000  7.487000       4.405000  
1 1 1 20 37 1  o 11.29000 3.287000  -0.3279000     6.573000  
1 1 1 20 37 3  o 10.90000 3.175000  -1.964000      6.351000  
1 1 1 20 37 5  o 10.95000 3.281000  2.868000       6.563000  
1 1 1 20 37 7  o 19.64000 3.142000  3.481000       6.285000  
1 1 1 20 37 9  o 9.117000 2.992000  -3.041000      5.984000  
1 1 1 20 37 11 o 28.24000 3.485000  0.4157000      6.970000  
1 1 1 20 37 13 o 7.504000 2.475000  0.7233000      4.950000  
1 1 1 20 37 15 o 33.85000 1.881000  3.638000       3.763000  
1 1 1 20 37 17 o 14.60000 5.017000  ?              ?         
1 1 1 20 38 0  f 44.94000 2.375000  0.000000       0.000000  
1 1 1 20 38 2  o 30.56000 2.199000  -1.043000      4.399000  
1 1 1 20 38 4  o 12.37000 3.401000  -3.399000      6.803000  
1 1 1 20 38 6  o 10.64000 3.273000  0.8127000      6.547000  
1 1 1 20 38 8  o 10.24000 3.367000  -2.550000      6.734000  
1 1 1 20 38 10 o 15.27000 3.342000  -4.603000      6.685000  
1 1 1 20 38 12 o 33.29000 2.123000  -1.244000      4.247000  
1 1 1 20 38 14 o 14.37000 3.041000  -2.353000      6.082000  
1 1 1 20 39 1  o 9.653000 2.641000  -1.255000      5.282000  
1 1 1 20 39 3  o 28.37000 2.648000  -6.163000      5.295000  
1 1 1 20 39 5  o 30.17000 1.929000  -5.459000      3.858000  
1 1 1 20 39 7  o 36.83000 1.886000  -1.131000      3.772000  
1 1 1 20 39 9  o 6.408000 2.219000  0.8262000      4.438000  
1 1 1 20 40 0  o 7.642000 3.645000  0.000000       0.000000  
1 1 1 20 40 2  o 7.873000 2.611000  2.593000       5.222000  
1 1 1 20 40 4  o 11.39000 2.981000  -1.539000      5.961000  
1 1 1 21 0  1  f 79.18000 1.727000  0.000000       0.000000  
1 1 1 21 0  3  o 24.21000 1.115000  0.000000       0.000000  
1 1 1 21 0  5  o 5.948000 2.269000  0.000000       0.000000  
1 1 1 21 0  7  o 54.69000 1.298000  0.000000       0.000000  
1 1 1 21 0  9  o 27.30000 1.085000  0.000000       0.000000  
1 1 1 21 0  11 o 13.88000 1.443000  0.000000       0.000000  
1 1 1 21 0  13 o 13.51000 1.430000  0.000000       0.000000  
1 1 1 21 0  15 o 19.98000 1.161000  0.000000       0.000000  
1 1 1 21 0  17 o 31.67000 0.9320000 0.000000       0.000000  
1 1 1 21 0  19 o 49.49000 1.096000  0.000000       0.000000  
1 1 1 21 0  21 o 89.64000 1.959000  0.000000       0.000000  
1 1 1 21 0  23 o 22.51000 1.205000  0.000000       0.000000  
1 1 1 21 0  25 o 24.22000 1.215000  0.000000       0.000000  
1 1 1 21 0  27 o 39.74000 1.195000  0.000000       0.000000  
1 1 1 21 0  29 o 51.30000 1.301000  0.000000       0.000000  
1 1 1 21 0  31 o 47.74000 1.642000  0.000000       0.000000  
1 1 1 21 0  33 o 37.36000 1.500000  0.000000       0.000000  
1 1 1 21 0  35 o 41.48000 1.679000  0.000000       0.000000  
1 1 1 21 0  37 f 7.497000 2.798000  0.000000       0.000000  
1 1 1 21 0  39 o 14.37000 2.382000  0.000000       0.000000  
1 1 1 21 0  41 o 6.702000 3.128000  0.000000       0.000000  
1 1 1 21 1  0  o 6.640000 2.715000  0.000000       0.000000  
1 1 1 21 1  2  o 49.49000 0.8565000 1.417000       1.713000  
1 1 1 21 1  4  o 90.70000 1.284000  1.618000       2.569000  
1 1 1 21 1  6  o 91.82000 1.395000  -1.768000      2.791000  
1 1 1 21 1  8  o 71.88000 1.271000  -2.119000      2.542000  
1 1 1 21 1  10 o 60.22000 0.9181000 1.147000       1.836000  
1 1 1 21 1  12 o 34.63000 0.6794000 0.1792000      1.359000  
1 1 1 21 1  14 o 29.75000 0.7440000 -1.130000      1.488000  
1 1 1 21 1  16 o 39.32000 0.6886000 -0.9132000     1.377000  
1 1 1 21 1  18 o 38.99000 0.6973000 -1.711000      1.395000  
1 1 1 21 1  20 o 46.35000 0.7555000 -1.448000      1.511000  
1 1 1 21 1  22 o 37.98000 0.7457000 -0.5630000     1.491000  
1 1 1 21 1  24 o 13.37000 1.352000  0.1683000      2.704000  
1 1 1 21 1  26 o 20.37000 0.9685000 -0.2789000     1.937000  
1 1 1 21 1  28 o 16.04000 1.177000  0.9491000      2.354000  
1 1 1 21 1  30 o 35.92000 0.9920000 0.6880000      1.984000  
1 1 1 21 1  32 o 49.99000 1.197000  -1.330000      2.394000  
1 1 1 21 1  34 o 33.07000 1.206000  -1.833000      2.411000  
1 1 1 21 1  36 o 18.36000 1.253000  -0.2876000     2.506000  
1 1 1 21 1  38 o 16.38000 1.487000  1.531000       2.974000  
1 1 1 21 1  40 o 22.28000 1.542000  -0.5567000     3.084000  
1 1 1 21 1  42 f 8.307000 2.716000  2.381000       5.432000  
1 1 1 21 2  1  o 49.44000 0.9730000 -3.088000      1.946000  
1 1 1 21 2  3  o 77.68000 1.120000  -0.9877000     2.239000  
1 1 1 21 2  5  o 71.97000 1.189000  0.4347000      2.377000  
1 1 1 21 2  7  o 10.13000 1.593000  -0.8335000     3.185000  
1 1 1 21 2  9  o 31.19000 0.7964000 0.1803000      1.593000  
1 1 1 21 2  11 o 48.37000 0.7970000 1.424000       1.594000  
1 1 1 21 2  13 o 58.58000 0.9070000 -0.9294000     1.814000  
1 1 1 21 2  15 o 40.29000 0.7184000 -0.5424000     1.437000  
1 1 1 21 2  17 o 54.61000 0.8086000 -0.3134000     1.617000  
1 1 1 21 2  19 o 16.20000 0.9975000 2.640000       1.995000  
1 1 1 21 2  21 o 59.43000 0.8699000 1.231000       1.740000  
1 1 1 21 2  23 o 52.21000 0.8256000 -2.387000      1.651000  
1 1 1 21 2  25 o 50.59000 0.8939000 2.000000       1.788000  
1 1 1 21 2  27 o 9.150000 2.054000  0.5266000      4.108000  
1 1 1 21 2  29 o 22.59000 1.145000  1.330000       2.290000  
1 1 1 21 2  31 o 37.80000 1.147000  -2.102000      2.293000  
1 1 1 21 2  33 o 44.90000 1.203000  2.652000       2.406000  
1 1 1 21 2  35 o 17.41000 1.576000  0.3031000      3.153000  
1 1 1 21 2  37 o 18.24000 1.304000  -2.411000      2.607000  
1 1 1 21 2  39 o 10.87000 2.035000  1.752000       4.069000  
1 1 1 21 2  41 o 24.76000 2.220000  1.588000       4.440000  
1 1 1 21 3  0  o 78.34000 1.701000  0.000000       0.000000  
1 1 1 21 3  2  o 77.33000 1.194000  -2.587000      2.387000  
1 1 1 21 3  4  o 57.58000 0.9945000 0.5749000      1.989000  
1 1 1 21 3  6  o 56.01000 0.9890000 -0.6880000     1.978000  
1 1 1 21 3  8  o 47.09000 0.7970000 1.104000       1.594000  
1 1 1 21 3  10 o 23.87000 0.8022000 0.7241000      1.604000  
1 1 1 21 3  12 o 105.0000 1.482000  1.997000       2.963000  
1 1 1 21 3  14 o 29.71000 0.7569000 -0.8683000     1.514000  
1 1 1 21 3  16 o 84.53000 1.220000  1.141000       2.440000  
1 1 1 21 3  18 o 31.64000 0.6754000 -1.098000      1.351000  
1 1 1 21 3  20 o 6.092000 1.669000  0.8264000E-01  3.338000  
1 1 1 21 3  22 o 48.42000 0.7858000 1.307000       1.572000  
1 1 1 21 3  24 o 35.49000 0.7582000 -0.3299000     1.516000  
1 1 1 21 3  26 o 35.91000 0.8009000 1.883000       1.602000  
1 1 1 21 3  28 f 6.743000 1.824000  0.5617000      3.648000  
1 1 1 21 3  30 o 7.839000 2.152000  1.047000       4.304000  
1 1 1 21 3  32 o 71.62000 1.682000  1.881000       3.363000  
1 1 1 21 3  34 o 21.44000 1.128000  1.419000       2.256000  
1 1 1 21 3  36 o 9.833000 2.209000  -0.6837000     4.418000  
1 1 1 21 3  38 o 7.458000 2.021000  -0.5009000     4.042000  
1 1 1 21 3  40 o 6.271000 1.913000  -0.9381000     3.827000  
1 1 1 21 3  42 o 9.085000 2.887000  1.648000       5.773000  
1 1 1 21 4  1  o 33.39000 0.7348000 0.5494000E-01  1.470000  
1 1 1 21 4  3  o 46.03000 0.7619000 1.420000       1.524000  
1 1 1 21 4  5  f 36.54000 0.8253000 -0.6379000E-01 1.651000  
1 1 1 21 4  7  o 36.99000 0.8291000 -0.6080000     1.658000  
1 1 1 21 4  9  o 88.15000 1.263000  1.927000       2.526000  
1 1 1 21 4  11 o 82.45000 1.135000  1.227000       2.270000  
1 1 1 21 4  13 o 39.98000 0.7824000 1.453000       1.565000  
1 1 1 21 4  15 o 94.31000 1.348000  1.056000       2.696000  
1 1 1 21 4  17 o 68.50000 1.032000  -1.418000      2.063000  
1 1 1 21 4  19 o 47.06000 0.8353000 2.101000       1.671000  
1 1 1 21 4  21 o 34.65000 0.8911000 0.9575000      1.782000  
1 1 1 21 4  23 f 52.94000 0.9167000 -0.2771000     1.833000  
1 1 1 21 4  25 o 30.83000 0.9116000 0.8015000      1.823000  
1 1 1 21 4  27 o 17.42000 1.407000  -0.8960000     2.815000  
1 1 1 21 4  29 f 36.45000 0.9296000 -2.131000      1.859000  
1 1 1 21 4  31 o 51.51000 1.224000  2.030000       2.447000  
1 1 1 21 4  33 o 7.525000 2.231000  -1.827000      4.463000  
1 1 1 21 4  35 o 34.77000 1.095000  2.572000       2.190000  
1 1 1 21 4  37 f 24.01000 1.057000  -1.338000      2.114000  
1 1 1 21 4  39 o 14.00000 1.678000  1.543000       3.355000  
1 1 1 21 4  41 o 22.23000 1.996000  -6.952000      3.993000  
1 1 1 21 5  0  o 91.20000 1.957000  0.000000       0.000000  
1 1 1 21 5  2  o 41.62000 0.7300000 -0.1159000     1.460000  
1 1 1 21 5  4  o 66.92000 0.9873000 -0.2120000     1.975000  
1 1 1 21 5  6  o 56.91000 1.013000  -0.5267000     2.026000  
1 1 1 21 5  8  o 111.6000 1.570000  2.052000       3.139000  
1 1 1 21 5  10 o 63.34000 1.031000  -0.6640000     2.061000  
1 1 1 21 5  12 f 75.49000 1.065000  -2.247000      2.129000  
1 1 1 21 5  14 o 14.66000 1.125000  -0.9420000     2.251000  
1 1 1 21 5  16 o 23.17000 0.7587000 -2.245000      1.517000  
1 1 1 21 5  18 o 37.41000 0.7551000 1.333000       1.510000  
1 1 1 21 5  20 o 36.75000 0.7846000 1.291000       1.569000  
1 1 1 21 5  22 o 34.69000 0.8589000 -2.130000      1.718000  
1 1 1 21 5  24 o 46.63000 0.9052000 -1.092000      1.810000  
1 1 1 21 5  26 o 29.86000 0.9443000 -0.7166000     1.889000  
1 1 1 21 5  28 f 49.10000 1.144000  0.2367000      2.288000  
1 1 1 21 5  30 o 84.81000 1.958000  3.836000       3.916000  
1 1 1 21 5  32 o 8.757000 2.655000  0.9008000E-02  5.310000  
1 1 1 21 5  34 o 32.97000 1.172000  2.560000       2.345000  
1 1 1 21 5  36 o 18.96000 2.965000  -6.877000      5.930000  
1 1 1 21 5  38 f 22.88000 1.410000  -1.664000      2.819000  
1 1 1 21 5  40 o 24.19000 1.490000  -0.1577000     2.981000  
1 1 1 21 6  1  o 63.01000 1.014000  -0.2586000     2.029000  
1 1 1 21 6  3  o 56.33000 0.8466000 1.480000       1.693000  
1 1 1 21 6  5  o 48.32000 0.9059000 -0.4314000E-02 1.812000  
1 1 1 21 6  7  o 77.65000 1.280000  0.4464000      2.560000  
1 1 1 21 6  9  o 92.95000 1.330000  -4.223000      2.660000  
1 1 1 21 6  11 o 22.77000 0.8204000 -0.1759000     1.641000  
1 1 1 21 6  13 o 71.49000 1.061000  1.508000       2.122000  
1 1 1 21 6  15 o 7.254000 1.722000  1.440000       3.444000  
1 1 1 21 6  17 o 67.46000 1.013000  0.7643000      2.027000  
1 1 1 21 6  19 o 22.95000 0.7790000 1.163000       1.558000  
1 1 1 21 6  21 o 59.48000 0.8800000 -0.3862000E-01 1.760000  
1 1 1 21 6  23 o 77.37000 1.072000  0.1963000      2.144000  
1 1 1 21 6  25 f 62.02000 1.075000  2.662000       2.150000  
1 1 1 21 6  27 o 31.84000 0.8033000 -0.7798000     1.607000  
1 1 1 21 6  29 o 9.947000 2.131000  -1.511000      4.263000  
1 1 1 21 6  31 o 24.02000 1.734000  0.4599000      3.467000  
1 1 1 21 6  33 o 49.33000 1.071000  -2.393000      2.141000  
1 1 1 21 6  35 o 52.69000 1.221000  -1.328000      2.441000  
1 1 1 21 6  37 o 11.05000 2.562000  0.8407000      5.124000  
1 1 1 21 6  39 o 9.304000 2.128000  1.289000       4.255000  
1 1 1 21 6  41 o 20.09000 3.812000  ?              ?         
1 1 1 21 7  0  o 59.92000 1.393000  0.000000       0.000000  
1 1 1 21 7  2  o 35.92000 0.7599000 0.4818000      1.520000  
1 1 1 21 7  4  o 69.69000 1.131000  -1.223000      2.261000  
1 1 1 21 7  6  o 51.34000 0.9170000 -2.611000      1.834000  
1 1 1 21 7  8  o 78.96000 1.105000  -2.399000      2.210000  
1 1 1 21 7  10 o 68.56000 1.026000  -0.5758000     2.051000  
1 1 1 21 7  12 o 62.66000 0.9610000 -1.354000      1.922000  
1 1 1 21 7  14 o 16.20000 1.085000  0.6543000      2.171000  
1 1 1 21 7  16 o 35.05000 0.7299000 -0.4998000     1.460000  
1 1 1 21 7  18 o 38.47000 0.7552000 3.066000       1.510000  
1 1 1 21 7  20 o 39.66000 0.7765000 -0.4727000     1.553000  
1 1 1 21 7  22 o 43.94000 0.8084000 2.517000       1.617000  
1 1 1 21 7  24 o 37.58000 0.7643000 -2.339000      1.529000  
1 1 1 21 7  26 o 24.51000 0.8628000 -1.040000      1.726000  
1 1 1 21 7  28 o 18.55000 1.100000  0.5441000      2.200000  
1 1 1 21 7  30 o 34.86000 1.157000  0.1411000      2.314000  
1 1 1 21 7  32 o 19.03000 1.668000  4.620000       3.337000  
1 1 1 21 7  34 o 34.40000 0.9944000 3.561000       1.989000  
1 1 1 21 7  36 o 16.50000 3.294000  3.818000       6.588000  
1 1 1 21 7  38 o 16.10000 1.915000  -2.748000      3.830000  
1 1 1 21 7  40 o 9.641000 2.513000  4.055000       5.026000  
1 1 1 21 8  1  o 51.18000 0.9013000 -0.4676000     1.803000  
1 1 1 21 8  3  o 100.5000 1.429000  0.3135000      2.857000  
1 1 1 21 8  5  o 31.81000 0.8038000 1.285000       1.608000  
1 1 1 21 8  7  o 70.27000 1.133000  2.458000       2.267000  
1 1 1 21 8  9  o 30.20000 0.7230000 -0.1033000     1.446000  
1 1 1 21 8  11 o 41.60000 0.8366000 0.8967000      1.673000  
1 1 1 21 8  13 o 47.37000 0.7792000 2.175000       1.558000  
1 1 1 21 8  15 o 54.59000 0.8431000 0.1989000      1.686000  
1 1 1 21 8  17 o 40.71000 0.7440000 -1.401000      1.488000  
1 1 1 21 8  19 o 62.62000 0.9623000 1.872000       1.925000  
1 1 1 21 8  21 o 10.97000 1.560000  -0.7130000     3.121000  
1 1 1 21 8  23 o 19.50000 0.9149000 -1.710000      1.830000  
1 1 1 21 8  25 o 50.61000 0.8602000 -1.905000      1.720000  
1 1 1 21 8  27 o 46.13000 0.8641000 -1.865000      1.728000  
1 1 1 21 8  29 o 10.22000 2.197000  0.5407000      4.394000  
1 1 1 21 8  31 o 33.45000 1.530000  2.039000       3.060000  
1 1 1 21 8  33 o 54.48000 1.192000  -0.3559000     2.384000  
1 1 1 21 8  35 o 35.53000 1.130000  -2.583000      2.259000  
1 1 1 21 8  37 o 25.81000 3.377000  -16.29000      6.754000  
1 1 1 21 8  39 o 39.25000 1.303000  3.160000       2.606000  
1 1 1 21 8  41 o 8.252000 2.718000  1.923000       5.436000  
1 1 1 21 9  0  o 20.41000 1.211000  0.000000       0.000000  
1 1 1 21 9  2  o 32.94000 0.7818000 -1.253000      1.564000  
1 1 1 21 9  4  o 37.31000 0.7420000 0.3842000      1.484000  
1 1 1 21 9  6  o 52.01000 0.9224000 0.9413000      1.845000  
1 1 1 21 9  8  f 54.71000 0.8437000 -0.4741000     1.687000  
1 1 1 21 9  10 o 73.90000 1.051000  1.459000       2.102000  
1 1 1 21 9  12 o 102.1000 1.457000  0.6914000      2.913000  
1 1 1 21 9  14 o 34.61000 0.7402000 -1.577000      1.480000  
1 1 1 21 9  16 o 17.90000 0.9785000 -1.294000      1.957000  
1 1 1 21 9  18 o 24.89000 0.7865000 -0.1240000     1.573000  
1 1 1 21 9  20 o 52.43000 0.8402000 0.3469000      1.680000  
1 1 1 21 9  22 o 50.43000 0.8385000 0.8529000      1.677000  
1 1 1 21 9  24 o 30.12000 0.9684000 3.229000       1.937000  
1 1 1 21 9  26 o 9.227000 2.032000  0.3576000      4.064000  
1 1 1 21 9  28 o 30.20000 1.122000  0.6786000      2.244000  
1 1 1 21 9  30 o 38.47000 1.521000  -4.051000      3.042000  
1 1 1 21 9  32 o 28.86000 1.557000  1.770000       3.115000  
1 1 1 21 9  34 o 15.06000 2.140000  2.998000       4.280000  
1 1 1 21 9  36 o 50.73000 4.972000  -13.14000      9.944000  
1 1 1 21 9  38 o 15.18000 1.972000  -6.393000      3.944000  
1 1 1 21 9  40 o 58.46000 1.798000  2.872000       3.596000  
1 1 1 21 10 1  o 18.13000 1.047000  -1.245000      2.094000  
1 1 1 21 10 3  o 94.37000 1.436000  -0.9470000     2.872000  
1 1 1 21 10 5  o 99.01000 1.403000  -0.4914000     2.806000  
1 1 1 21 10 7  o 98.99000 1.543000  -1.185000      3.085000  
1 1 1 21 10 9  o 61.88000 0.9243000 0.7266000      1.849000  
1 1 1 21 10 11 o 21.31000 0.9212000 0.7734000E-01  1.842000  
1 1 1 21 10 13 o 55.66000 0.8671000 -1.653000      1.734000  
1 1 1 21 10 15 o 67.98000 0.9868000 -0.8105000     1.974000  
1 1 1 21 10 17 o 37.92000 0.7509000 0.7381000      1.502000  
1 1 1 21 10 19 o 60.58000 1.049000  4.456000       2.097000  
1 1 1 21 10 21 o 53.58000 0.8604000 -0.9806000E-01 1.721000  
1 1 1 21 10 23 o 41.46000 0.8257000 -1.383000      1.651000  
1 1 1 21 10 25 o 47.59000 1.038000  0.4235000      2.076000  
1 1 1 21 10 27 o 51.22000 1.037000  1.857000       2.075000  
1 1 1 21 10 29 o 21.42000 1.647000  0.3231000      3.294000  
1 1 1 21 10 31 o 14.92000 2.352000  -5.820000      4.704000  
1 1 1 21 10 33 o 27.45000 1.372000  3.651000       2.744000  
1 1 1 21 10 35 o 29.70000 1.264000  -7.208000      2.528000  
1 1 1 21 10 37 o 25.84000 5.043000  1.849000       10.09000  
1 1 1 21 10 39 o 15.15000 2.434000  0.3771000      4.868000  
1 1 1 21 11 0  o 40.50000 1.210000  0.000000       0.000000  
1 1 1 21 11 2  o 52.65000 0.8770000 1.086000       1.754000  
1 1 1 21 11 4  o 51.45000 0.8599000 -1.997000      1.720000  
1 1 1 21 11 6  o 54.54000 0.8883000 1.017000       1.777000  
1 1 1 21 11 8  o 23.66000 0.9629000 0.1760000      1.926000  
1 1 1 21 11 10 o 14.17000 1.340000  -0.2197000     2.681000  
1 1 1 21 11 12 o 32.90000 0.7734000 -1.241000      1.547000  
1 1 1 21 11 14 o 27.85000 0.7839000 -0.4092000E-01 1.568000  
1 1 1 21 11 16 o 40.23000 0.7760000 1.623000       1.552000  
1 1 1 21 11 18 o 52.01000 0.8614000 -3.929000      1.723000  
1 1 1 21 11 20 o 48.32000 0.8197000 -0.7321000     1.639000  
1 1 1 21 11 22 o 48.28000 0.8226000 -0.4091000     1.645000  
1 1 1 21 11 24 o 30.95000 0.7839000 -3.610000      1.568000  
1 1 1 21 11 26 o 18.73000 1.226000  1.013000       2.452000  
1 1 1 21 11 28 o 42.14000 1.162000  0.6952000      2.324000  
1 1 1 21 11 30 o 24.98000 1.795000  1.569000       3.589000  
1 1 1 21 11 32 f 43.44000 1.208000  -2.308000      2.415000  
1 1 1 21 11 34 o 36.11000 1.268000  3.262000       2.535000  
1 1 1 21 11 36 o 20.00000 4.124000  0.5598000      8.248000  
1 1 1 21 11 38 o 30.72000 1.398000  -1.514000      2.797000  
1 1 1 21 11 40 o 18.32000 2.603000  5.153000       5.207000  
1 1 1 21 12 1  o 133.6000 1.731000  1.592000       3.462000  
1 1 1 21 12 3  o 25.70000 0.9046000 -0.7187000     1.809000  
1 1 1 21 12 5  o 40.90000 0.7620000 -1.981000      1.524000  
1 1 1 21 12 7  o 54.04000 0.8906000 -0.1550000     1.781000  
1 1 1 21 12 9  o 35.44000 0.7480000 0.1282000E-01  1.496000  
1 1 1 21 12 11 o 47.70000 0.8644000 1.032000       1.729000  
1 1 1 21 12 13 o 19.45000 1.062000  0.8740000      2.124000  
1 1 1 21 12 15 o 39.86000 0.7761000 -3.020000      1.552000  
1 1 1 21 12 17 o 65.43000 1.039000  -0.4943000     2.079000  
1 1 1 21 12 19 o 52.76000 0.8478000 -1.090000      1.696000  
1 1 1 21 12 21 f 41.13000 0.7881000 0.3567000      1.576000  
1 1 1 21 12 23 f 45.70000 0.8612000 0.1770000E-01  1.722000  
1 1 1 21 12 25 o 10.63000 1.671000  3.504000       3.342000  
1 1 1 21 12 27 o 27.02000 1.201000  1.502000       2.403000  
1 1 1 21 12 29 o 21.03000 2.040000  0.2545000      4.080000  
1 1 1 21 12 31 o 10.29000 2.433000  0.6048000      4.866000  
1 1 1 21 12 33 o 14.35000 2.452000  8.030000       4.903000  
1 1 1 21 12 35 o 31.96000 4.598000  -12.86000      9.195000  
1 1 1 21 12 37 o 14.67000 2.549000  -8.832000      5.097000  
1 1 1 21 12 39 o 21.57000 2.203000  -5.354000      4.406000  
1 1 1 21 13 0  o 29.54000 1.184000  0.000000       0.000000  
1 1 1 21 13 2  o 45.97000 0.8632000 2.868000       1.726000  
1 1 1 21 13 4  o 38.10000 0.8298000 -1.839000      1.660000  
1 1 1 21 13 6  o 53.81000 0.8378000 0.2964000      1.676000  
1 1 1 21 13 8  o 45.05000 0.8268000 2.452000       1.654000  
1 1 1 21 13 10 o 47.74000 0.8035000 -0.3023000     1.607000  
1 1 1 21 13 12 o 12.45000 1.488000  0.4158000      2.977000  
1 1 1 21 13 14 o 56.05000 0.9434000 -0.9608000     1.887000  
1 1 1 21 13 16 f 25.92000 0.8215000 -0.5097000     1.643000  
1 1 1 21 13 18 o 42.25000 0.7986000 1.199000       1.597000  
1 1 1 21 13 20 o 48.59000 0.8427000 -0.2263000     1.685000  
1 1 1 21 13 22 o 33.28000 1.011000  -1.759000      2.022000  
1 1 1 21 13 24 o 40.31000 0.8185000 -1.229000      1.637000  
1 1 1 21 13 26 o 42.15000 0.9859000 -1.441000      1.972000  
1 1 1 21 13 28 o 47.61000 1.308000  -0.1417000     2.616000  
1 1 1 21 13 30 o 66.36000 1.562000  0.7391000      3.124000  
1 1 1 21 13 32 o 29.55000 1.305000  6.161000       2.610000  
1 1 1 21 13 34 o 36.12000 1.192000  -2.839000      2.384000  
1 1 1 21 13 36 o 25.34000 4.878000  -2.430000      9.755000  
1 1 1 21 13 38 o 12.76000 2.369000  -3.825000      4.738000  
1 1 1 21 14 1  o 88.20000 1.370000  0.9672000      2.740000  
1 1 1 21 14 3  o 95.68000 1.278000  0.1329000      2.557000  
1 1 1 21 14 5  o 63.10000 1.164000  0.9381000      2.327000  
1 1 1 21 14 7  o 50.80000 0.8670000 -0.5879000     1.734000  
1 1 1 21 14 9  o 26.08000 0.8814000 0.7115000      1.763000  
1 1 1 21 14 11 o 33.19000 0.7838000 1.668000       1.568000  
1 1 1 21 14 13 o 47.76000 0.9101000 -0.3321000E-01 1.820000  
1 1 1 21 14 15 o 43.19000 0.9123000 1.391000       1.825000  
1 1 1 21 14 17 o 49.75000 0.9779000 1.235000       1.956000  
1 1 1 21 14 19 o 61.72000 0.9667000 3.765000       1.933000  
1 1 1 21 14 21 o 81.68000 1.241000  1.560000       2.482000  
1 1 1 21 14 23 o 42.48000 0.8772000 -2.329000      1.754000  
1 1 1 21 14 25 o 30.20000 1.025000  0.5619000      2.049000  
1 1 1 21 14 27 o 35.76000 1.107000  -0.2538000     2.214000  
1 1 1 21 14 29 o 8.922000 2.495000  -1.441000      4.990000  
1 1 1 21 14 31 o 10.04000 2.331000  1.735000       4.661000  
1 1 1 21 14 33 o 29.87000 1.323000  3.657000       2.646000  
1 1 1 21 14 35 o 24.91000 3.927000  -6.920000      7.853000  
1 1 1 21 14 37 o 7.366000 2.088000  2.814000       4.177000  
1 1 1 21 14 39 o 12.81000 3.430000  7.876000       6.861000  
1 1 1 21 15 0  o 52.98000 1.428000  0.000000       0.000000  
1 1 1 21 15 2  o 26.20000 0.8925000 -2.523000      1.785000  
1 1 1 21 15 4  o 21.35000 0.9955000 -0.3954000     1.991000  
1 1 1 21 15 6  o 27.58000 0.9090000 -0.1228000     1.818000  
1 1 1 21 15 8  o 49.78000 0.8719000 -1.947000      1.744000  
1 1 1 21 15 10 f 45.14000 0.8513000 0.6220000      1.703000  
1 1 1 21 15 12 o 64.80000 1.022000  1.310000       2.044000  
1 1 1 21 15 14 o 53.64000 1.082000  0.5725000      2.164000  
1 1 1 21 15 16 o 51.82000 0.9761000 -0.8441000     1.952000  
1 1 1 21 15 18 o 18.69000 1.226000  0.3143000      2.452000  
1 1 1 21 15 20 o 8.253000 1.943000  -0.2354000     3.886000  
1 1 1 21 15 22 o 23.50000 0.9495000 1.244000       1.899000  
1 1 1 21 15 24 o 20.58000 1.189000  0.9275000      2.377000  
1 1 1 21 15 26 o 21.50000 1.430000  0.7358000      2.859000  
1 1 1 21 15 28 o 11.42000 2.332000  5.660000       4.664000  
1 1 1 21 15 30 o 35.28000 1.173000  -0.5890000     2.346000  
1 1 1 21 15 32 o 15.11000 2.169000  2.370000       4.339000  
1 1 1 21 15 34 o 29.33000 4.483000  -16.13000      8.965000  
1 1 1 21 15 36 o 14.09000 2.765000  -6.593000      5.530000  
1 1 1 21 15 38 o 36.03000 1.555000  -6.103000      3.110000  
1 1 1 21 16 1  o 74.62000 1.050000  0.3901000      2.100000  
1 1 1 21 16 3  o 59.90000 0.9104000 2.354000       1.821000  
1 1 1 21 16 5  o 34.23000 0.8047000 -1.960000      1.609000  
1 1 1 21 16 7  o 29.81000 0.9354000 -1.261000      1.871000  
1 1 1 21 16 9  o 81.82000 1.309000  2.065000       2.618000  
1 1 1 21 16 11 o 29.79000 1.007000  0.5739000      2.014000  
1 1 1 21 16 13 f 80.47000 1.214000  1.215000       2.428000  
1 1 1 21 16 15 o 42.82000 1.034000  -0.9232000     2.069000  
1 1 1 21 16 17 o 10.88000 1.978000  -0.2335000     3.955000  
1 1 1 21 16 19 o 56.26000 1.168000  0.6029000      2.335000  
1 1 1 21 16 21 o 42.47000 1.081000  2.871000       2.162000  
1 1 1 21 16 23 o 40.48000 1.030000  -4.039000      2.059000  
1 1 1 21 16 25 o 35.61000 1.241000  2.999000       2.481000  
1 1 1 21 16 27 o 28.79000 1.402000  4.324000       2.804000  
1 1 1 21 16 29 o 20.13000 1.891000  2.628000       3.781000  
1 1 1 21 16 31 o 33.94000 1.187000  6.504000       2.374000  
1 1 1 21 16 33 o 12.12000 3.746000  5.187000       7.491000  
1 1 1 21 16 35 o 16.31000 4.183000  3.484000       8.367000  
1 1 1 21 16 37 o 8.048000 2.232000  -2.829000      4.464000  
1 1 1 21 17 0  o 59.54000 1.546000  0.000000       0.000000  
1 1 1 21 17 2  o 17.26000 1.233000  -1.133000      2.467000  
1 1 1 21 17 4  o 41.73000 0.8560000 -0.2324000     1.712000  
1 1 1 21 17 6  o 27.56000 0.9701000 -1.547000      1.940000  
1 1 1 21 17 8  o 47.66000 1.249000  0.8037000      2.497000  
1 1 1 21 17 10 o 43.76000 1.018000  0.8352000      2.037000  
1 1 1 21 17 12 o 18.79000 1.464000  4.010000       2.929000  
1 1 1 21 17 14 o 64.04000 1.153000  1.144000       2.305000  
1 1 1 21 17 16 o 22.83000 1.244000  -0.7756000     2.489000  
1 1 1 21 17 18 o 48.27000 1.102000  3.188000       2.204000  
1 1 1 21 17 20 o 36.73000 1.160000  1.757000       2.320000  
1 1 1 21 17 22 o 38.05000 1.074000  2.011000       2.149000  
1 1 1 21 17 24 o 47.46000 1.191000  -2.015000      2.382000  
1 1 1 21 17 26 o 11.90000 3.010000  -1.877000      6.021000  
1 1 1 21 17 28 o 43.30000 1.297000  4.402000       2.594000  
1 1 1 21 17 30 o 15.66000 1.647000  -0.6675000     3.294000  
1 1 1 21 17 32 o 24.19000 3.833000  -7.483000      7.666000  
1 1 1 21 17 34 o 13.01000 4.356000  12.98000       8.712000  
1 1 1 21 17 36 o 7.734000 2.355000  -0.4346000     4.711000  
1 1 1 21 17 38 o 10.14000 4.577000  ?              ?         
1 1 1 21 18 1  o 17.67000 1.398000  -1.751000      2.796000  
1 1 1 21 18 3  o 23.32000 0.9821000 0.5715000      1.964000  
1 1 1 21 18 5  o 28.83000 0.9681000 -1.860000      1.936000  
1 1 1 21 18 7  o 94.27000 1.574000  -1.645000      3.149000  
1 1 1 21 18 9  o 80.00000 1.530000  0.2997000      3.059000  
1 1 1 21 18 11 o 25.71000 1.269000  -1.780000      2.538000  
1 1 1 21 18 13 o 25.70000 1.230000  2.575000       2.460000  
1 1 1 21 18 15 o 22.10000 1.265000  -1.549000      2.530000  
1 1 1 21 18 17 o 17.59000 1.572000  -0.6181000E-01 3.144000  
1 1 1 21 18 19 o 20.85000 1.392000  4.988000       2.784000  
1 1 1 21 18 21 o 69.36000 1.342000  0.2695000      2.684000  
1 1 1 21 18 23 o 11.35000 2.317000  2.601000       4.634000  
1 1 1 21 18 25 o 37.56000 4.689000  21.17000       9.378000  
1 1 1 21 18 27 o 19.39000 1.986000  -5.632000      3.973000  
1 1 1 21 18 29 o 10.90000 2.123000  0.3029000      4.247000  
1 1 1 21 18 31 o 31.01000 1.132000  1.714000       2.264000  
1 1 1 21 18 33 o 15.02000 3.955000  3.670000       7.911000  
1 1 1 21 18 35 o 12.62000 2.436000  -6.963000      4.871000  
1 1 1 21 18 37 o 14.38000 2.920000  11.87000       5.840000  
1 1 1 21 19 0  o 51.81000 1.363000  0.000000       0.000000  
1 1 1 21 19 2  o 33.89000 0.9009000 -1.932000      1.802000  
1 1 1 21 19 4  o 72.01000 1.358000  -3.175000      2.717000  
1 1 1 21 19 6  o 20.53000 1.574000  -1.180000      3.149000  
1 1 1 21 19 8  o 32.95000 1.708000  -1.429000      3.417000  
1 1 1 21 19 10 o 8.685000 2.829000  6.417000       5.657000  
1 1 1 21 19 12 o 10.25000 2.219000  -1.174000      4.439000  
1 1 1 21 19 14 o 42.00000 1.134000  3.416000       2.269000  
1 1 1 21 19 16 o 58.94000 1.361000  -1.494000      2.721000  
1 1 1 21 19 18 o 17.00000 1.684000  4.003000       3.369000  
1 1 1 21 19 20 o 50.15000 1.165000  1.235000       2.329000  
1 1 1 21 19 22 o 39.30000 1.205000  -0.8654000E-01 2.410000  
1 1 1 21 19 24 o 39.48000 2.009000  ?              ?         
1 1 1 21 19 26 o 30.92000 1.559000  3.532000       3.118000  
1 1 1 21 19 28 f 22.30000 1.304000  0.2889000      2.608000  
1 1 1 21 19 30 o 34.29000 1.187000  -1.238000      2.374000  
1 1 1 21 19 32 o 23.52000 1.372000  1.482000       2.743000  
1 1 1 21 19 34 o 18.81000 2.679000  -12.57000      5.358000  
1 1 1 21 19 36 f 33.59000 1.571000  2.807000       3.143000  
1 1 1 21 20 1  o 30.96000 0.9809000 0.5276000      1.962000  
1 1 1 21 20 3  o 41.66000 1.095000  3.465000       2.191000  
1 1 1 21 20 5  o 31.34000 1.152000  -1.661000      2.304000  
1 1 1 21 20 7  o 65.00000 1.166000  3.222000       2.331000  
1 1 1 21 20 9  o 32.21000 2.179000  2.433000       4.359000  
1 1 1 21 20 11 o 8.536000 2.823000  5.713000       5.647000  
1 1 1 21 20 13 o 30.16000 1.263000  -0.3207000     2.527000  
1 1 1 21 20 15 o 39.99000 1.115000  -1.731000      2.231000  
1 1 1 21 20 17 o 39.62000 1.144000  -1.493000      2.288000  
1 1 1 21 20 19 o 26.42000 1.314000  0.2383000      2.628000  
1 1 1 21 20 21 o 34.98000 1.957000  6.973000       3.915000  
1 1 1 21 20 23 o 23.66000 3.749000  -2.033000      7.498000  
1 1 1 21 20 25 o 17.23000 2.547000  -14.75000      5.094000  
1 1 1 21 20 27 o 39.91000 1.141000  2.611000       2.281000  
1 1 1 21 20 29 o 10.90000 2.387000  -0.6932000     4.774000  
1 1 1 21 20 31 o 11.94000 3.744000  6.309000       7.489000  
1 1 1 21 20 33 o 12.90000 2.531000  -7.284000      5.063000  
1 1 1 21 20 35 o 33.55000 2.544000  -10.68000      5.087000  
1 1 1 21 21 0  o 37.91000 1.332000  0.000000       0.000000  
1 1 1 21 21 2  o 30.33000 1.241000  3.836000       2.483000  
1 1 1 21 21 4  o 9.647000 2.342000  -0.6243000     4.684000  
1 1 1 21 21 6  o 31.61000 1.242000  2.015000       2.485000  
1 1 1 21 21 8  o 11.25000 2.389000  1.254000       4.777000  
1 1 1 21 21 10 o 87.51000 1.622000  -1.934000      3.245000  
1 1 1 21 21 12 o 17.75000 3.295000  0.9257000      6.590000  
1 1 1 21 21 14 o 23.86000 1.514000  -5.305000      3.028000  
1 1 1 21 21 16 o 10.95000 2.367000  0.1023000      4.734000  
1 1 1 21 21 18 o 10.60000 2.615000  3.305000       5.229000  
1 1 1 21 21 20 o 8.766000 2.459000  5.420000       4.918000  
1 1 1 21 21 22 o 52.86000 3.319000  16.47000       6.637000  
1 1 1 21 21 24 o 18.83000 2.016000  -3.535000      4.032000  
1 1 1 21 21 26 o 30.50000 1.199000  3.376000       2.398000  
1 1 1 21 21 28 o 40.61000 1.721000  1.018000       3.441000  
1 1 1 21 21 30 o 26.16000 1.288000  -3.219000      2.575000  
1 1 1 21 21 32 o 6.852000 2.067000  1.230000       4.135000  
1 1 1 21 21 34 o 17.02000 2.981000  -7.437000      5.962000  
1 1 1 21 22 1  o 8.028000 2.354000  3.002000       4.709000  
1 1 1 21 22 3  o 51.54000 1.183000  -1.048000      2.366000  
1 1 1 21 22 5  o 38.83000 1.140000  0.2598000      2.280000  
1 1 1 21 22 7  o 20.86000 1.659000  -1.996000      3.318000  
1 1 1 21 22 9  o 34.19000 1.184000  -1.126000      2.368000  
1 1 1 21 22 11 o 55.69000 1.095000  -4.895000      2.190000  
1 1 1 21 22 13 o 20.03000 3.677000  4.453000       7.354000  
1 1 1 21 22 15 o 22.26000 1.768000  -0.9866000     3.536000  
1 1 1 21 22 17 o 16.91000 2.597000  0.6903000      5.194000  
1 1 1 21 22 19 o 21.51000 2.457000  -1.245000      4.914000  
1 1 1 21 22 21 o 25.06000 2.158000  5.486000       4.315000  
1 1 1 21 22 23 o 44.09000 1.384000  -0.9624000     2.769000  
1 1 1 21 22 25 o 31.80000 1.311000  -0.4532000     2.622000  
1 1 1 21 22 27 o 36.18000 1.223000  -2.224000      2.445000  
1 1 1 21 22 29 o 12.78000 2.324000  -1.939000      4.648000  
1 1 1 21 22 31 o 34.69000 1.116000  -0.7081000     2.232000  
1 1 1 21 22 33 o 6.394000 1.982000  -1.575000      3.964000  
1 1 1 21 22 35 o 13.21000 4.753000  ?              ?         
1 1 1 21 23 0  o 31.91000 1.651000  0.000000       0.000000  
1 1 1 21 23 2  o 48.26000 1.113000  5.011000       2.225000  
1 1 1 21 23 4  o 17.58000 1.887000  0.7699000      3.775000  
1 1 1 21 23 6  f 10.71000 2.313000  -0.7085000E-01 4.626000  
1 1 1 21 23 8  o 26.73000 1.378000  1.360000       2.755000  
1 1 1 21 23 10 o 30.72000 1.667000  1.293000       3.334000  
1 1 1 21 23 12 o 38.02000 1.386000  -1.723000      2.772000  
1 1 1 21 23 14 o 45.18000 2.297000  -3.285000      4.595000  
1 1 1 21 23 16 o 16.09000 3.111000  -0.2594000     6.221000  
1 1 1 21 23 18 o 34.39000 1.661000  1.711000       3.322000  
1 1 1 21 23 20 o 30.27000 1.696000  -4.004000      3.392000  
1 1 1 21 23 22 o 23.04000 1.995000  3.829000       3.990000  
1 1 1 21 23 24 f 57.21000 1.345000  -3.018000      2.690000  
1 1 1 21 23 26 o 41.13000 1.257000  -2.672000      2.514000  
1 1 1 21 23 28 o 14.25000 2.116000  -2.363000      4.233000  
1 1 1 21 23 30 o 11.08000 2.238000  -1.190000      4.476000  
1 1 1 21 23 32 o 7.879000 2.163000  1.112000       4.325000  
1 1 1 21 23 34 o 9.615000 3.140000  -2.553000      6.279000  
1 1 1 21 24 1  o 45.18000 1.325000  2.388000       2.650000  
1 1 1 21 24 3  o 35.87000 1.454000  1.025000       2.909000  
1 1 1 21 24 5  o 9.307000 2.709000  -1.335000      5.419000  
1 1 1 21 24 7  o 19.12000 2.405000  1.311000       4.810000  
1 1 1 21 24 9  f 28.84000 1.665000  -0.3632000     3.329000  
1 1 1 21 24 11 o 19.56000 2.256000  2.515000       4.512000  
1 1 1 21 24 13 o 50.29000 1.241000  -1.660000      2.483000  
1 1 1 21 24 15 o 40.17000 4.142000  -6.103000      8.284000  
1 1 1 21 24 17 o 35.36000 1.839000  5.818000       3.678000  
1 1 1 21 24 19 o 48.04000 1.771000  2.647000       3.542000  
1 1 1 21 24 21 o 22.56000 2.178000  0.1230000      4.357000  
1 1 1 21 24 23 o 18.51000 3.956000  1.435000       7.912000  
1 1 1 21 24 25 o 12.43000 2.401000  1.171000       4.802000  
1 1 1 21 24 27 o 29.59000 1.319000  -2.197000      2.639000  
1 1 1 21 24 29 o 13.32000 2.240000  -3.647000      4.480000  
1 1 1 21 24 31 o 5.329000 1.796000  -0.7112000     3.592000  
1 1 1 21 24 33 o 9.149000 2.950000  4.708000       5.900000  
1 1 1 21 25 0  o 18.97000 2.849000  0.000000       0.000000  
1 1 1 21 25 2  f 29.56000 1.379000  -1.788000      2.757000  
1 1 1 21 25 4  o 24.76000 1.601000  2.056000       3.202000  
1 1 1 21 25 6  o 8.972000 2.539000  4.488000       5.079000  
1 1 1 21 25 8  o 16.58000 2.408000  -0.6044000     4.815000  
1 1 1 21 25 10 o 21.40000 1.875000  1.222000       3.749000  
1 1 1 21 25 12 o 45.81000 1.487000  -0.2727000     2.975000  
1 1 1 21 25 14 o 30.66000 1.992000  1.224000       3.984000  
1 1 1 21 25 16 o 41.77000 5.511000  -13.17000      11.02000  
1 1 1 21 25 18 o 8.432000 2.820000  2.643000       5.640000  
1 1 1 21 25 20 o 7.788000 2.489000  1.948000       4.977000  
1 1 1 21 25 22 o 30.58000 1.420000  0.5654000      2.839000  
1 1 1 21 25 24 o 41.62000 1.197000  -2.144000      2.393000  
1 1 1 21 25 26 o 38.85000 1.320000  1.298000       2.640000  
1 1 1 21 25 28 o 42.85000 2.850000  -15.46000      5.700000  
1 1 1 21 25 30 o 37.81000 1.225000  -2.762000      2.449000  
1 1 1 21 25 32 o 18.95000 3.102000  0.8554000      6.204000  
1 1 1 21 26 1  o 24.88000 1.670000  -3.268000      3.340000  
1 1 1 21 26 3  o 28.54000 1.572000  2.894000       3.143000  
1 1 1 21 26 5  o 45.57000 1.565000  2.453000       3.131000  
1 1 1 21 26 7  o 42.84000 1.501000  1.984000       3.002000  
1 1 1 21 26 9  o 45.72000 1.414000  -2.742000      2.827000  
1 1 1 21 26 11 o 45.24000 1.510000  2.995000       3.020000  
1 1 1 21 26 13 o 81.12000 1.724000  3.036000       3.448000  
1 1 1 21 26 15 o 34.66000 1.745000  8.815000       3.490000  
1 1 1 21 26 17 o 27.72000 4.428000  -7.058000      8.857000  
1 1 1 21 26 19 o 32.22000 1.694000  0.1806000      3.387000  
1 1 1 21 26 21 o 34.27000 1.369000  -4.685000      2.737000  
1 1 1 21 26 23 o 31.15000 1.479000  2.747000       2.958000  
1 1 1 21 26 25 f 26.08000 1.561000  -3.771000      3.123000  
1 1 1 21 26 27 o 9.097000 2.488000  -0.3520000     4.976000  
1 1 1 21 26 29 o 18.22000 2.054000  -8.459000      4.109000  
1 1 1 21 26 31 o 14.63000 3.395000  3.435000       6.791000  
1 1 1 21 27 0  o 26.19000 2.440000  0.000000       0.000000  
1 1 1 21 27 2  o 20.16000 2.342000  1.107000       4.684000  
1 1 1 21 27 4  o 12.13000 2.973000  1.846000       5.947000  
1 1 1 21 27 6  o 31.59000 1.757000  -0.6572000E-01 3.514000  
1 1 1 21 27 8  o 7.932000 2.634000  3.424000       5.267000  
1 1 1 21 27 10 o 54.88000 1.704000  -4.831000      3.408000  
1 1 1 21 27 12 o 46.87000 1.883000  2.225000       3.767000  
1 1 1 21 27 14 o 7.345000 3.418000  ?              ?         
1 1 1 21 27 16 o 46.79000 3.595000  -9.587000      7.190000  
1 1 1 21 27 18 o 66.96000 2.007000  1.465000       4.015000  
1 1 1 21 27 20 o 17.83000 2.590000  -2.901000      5.180000  
1 1 1 21 27 22 o 25.26000 1.870000  -1.353000      3.740000  
1 1 1 21 27 24 o 14.66000 2.468000  -1.482000      4.937000  
1 1 1 21 27 26 o 24.30000 1.590000  1.311000       3.181000  
1 1 1 21 27 28 o 11.81000 2.703000  0.2572000      5.407000  
1 1 1 21 27 30 o 8.934000 3.644000  ?              ?         
1 1 1 21 28 1  o 7.230000 2.446000  0.4007000      4.892000  
1 1 1 21 28 3  o 6.714000 2.319000  0.3502000      4.638000  
1 1 1 21 28 5  o 8.063000 2.671000  -0.1279000     5.342000  
1 1 1 21 28 7  o 37.95000 2.010000  0.5158000      4.020000  
1 1 1 21 28 9  o 49.57000 1.792000  -3.187000      3.583000  
1 1 1 21 28 11 o 45.25000 2.130000  -4.254000      4.260000  
1 1 1 21 28 13 o 28.13000 2.287000  5.549000       4.574000  
1 1 1 21 28 15 o 33.84000 1.629000  2.290000       3.258000  
1 1 1 21 28 17 o 10.50000 2.822000  3.755000       5.644000  
1 1 1 21 28 19 o 14.88000 3.890000  5.400000       7.781000  
1 1 1 21 28 21 o 23.07000 2.101000  -3.306000      4.201000  
1 1 1 21 28 23 o 24.59000 3.688000  -5.089000      7.376000  
1 1 1 21 28 25 o 21.67000 1.915000  -5.364000      3.829000  
1 1 1 21 28 27 o 17.63000 2.533000  -7.993000      5.065000  
1 1 1 21 28 29 o 17.82000 3.407000  4.437000       6.813000  
1 1 1 21 29 0  o 26.30000 3.938000  0.000000       0.000000  
1 1 1 21 29 2  o 35.97000 2.352000  -2.822000      4.705000  
1 1 1 21 29 4  o 49.62000 2.927000  -10.23000      5.854000  
1 1 1 21 29 6  o 39.95000 2.244000  -5.977000      4.489000  
1 1 1 21 29 8  o 6.195000 3.107000  ?              ?         
1 1 1 21 29 10 o 13.63000 2.753000  -3.122000      5.507000  
1 1 1 21 29 12 o 34.02000 1.981000  2.179000       3.963000  
1 1 1 21 29 14 o 34.22000 1.998000  2.332000       3.996000  
1 1 1 21 29 16 o 22.34000 2.227000  -6.336000      4.453000  
1 1 1 21 29 18 o 55.56000 1.418000  0.5475000      2.837000  
1 1 1 21 29 20 o 13.79000 3.867000  4.333000       7.733000  
1 1 1 21 29 22 o 19.71000 2.175000  -0.7454000     4.350000  
1 1 1 21 29 24 o 24.29000 1.952000  -4.441000      3.903000  
1 1 1 21 29 26 o 10.85000 2.980000  -2.021000      5.961000  
1 1 1 21 29 28 o 8.725000 2.915000  2.534000       5.829000  
1 1 1 21 30 1  o 29.60000 2.554000  2.141000       5.109000  
1 1 1 21 30 3  o 8.458000 2.773000  -1.229000      5.546000  
1 1 1 21 30 5  o 9.332000 3.049000  -2.485000      6.098000  
1 1 1 21 30 7  o 9.080000 2.747000  2.520000       5.494000  
1 1 1 21 30 9  o 32.34000 1.820000  4.061000       3.639000  
1 1 1 21 30 11 o 32.28000 1.735000  0.2618000      3.470000  
1 1 1 21 30 13 o 19.45000 2.669000  0.5814000      5.338000  
1 1 1 21 30 15 o 30.75000 1.836000  -3.446000      3.671000  
1 1 1 21 30 17 o 23.74000 2.036000  -1.201000      4.073000  
1 1 1 21 30 19 o 29.70000 1.862000  -2.379000      3.725000  
1 1 1 21 30 21 o 39.40000 3.047000  -13.87000      6.094000  
1 1 1 21 30 23 o 14.91000 2.545000  -3.614000      5.089000  
1 1 1 21 30 25 o 6.793000 2.323000  1.994000       4.645000  
1 1 1 21 30 27 o 9.538000 3.059000  2.718000       6.117000  
1 1 1 21 31 0  o 7.379000 3.474000  0.000000       0.000000  
1 1 1 21 31 2  o 9.195000 2.759000  0.8059000      5.518000  
1 1 1 21 31 4  o 37.86000 1.700000  0.1603000      3.399000  
1 1 1 21 31 6  o 29.41000 1.990000  -2.338000      3.979000  
1 1 1 21 31 8  o 15.07000 3.311000  -0.2150000     6.623000  
1 1 1 21 31 10 o 11.64000 2.922000  2.634000       5.843000  
1 1 1 21 31 12 o 31.51000 1.802000  -2.719000      3.603000  
1 1 1 21 31 14 o 30.69000 1.838000  1.345000       3.676000  
1 1 1 21 31 16 o 40.77000 1.514000  2.144000       3.027000  
1 1 1 21 31 18 o 13.70000 2.766000  -3.328000      5.533000  
1 1 1 21 31 20 o 12.87000 2.799000  -1.680000      5.597000  
1 1 1 21 31 22 o 8.313000 2.623000  0.1561000      5.247000  
1 1 1 21 31 24 o 33.91000 2.338000  5.053000       4.676000  
1 1 1 21 32 1  o 12.14000 3.354000  -0.5175000     6.708000  
1 1 1 21 32 3  o 15.77000 3.167000  4.387000       6.333000  
1 1 1 21 32 5  o 40.06000 1.614000  -3.029000      3.228000  
1 1 1 21 32 7  o 13.05000 3.296000  -2.406000      6.591000  
1 1 1 21 32 9  o 14.86000 3.289000  -1.292000      6.579000  
1 1 1 21 32 11 o 16.54000 2.883000  -2.233000      5.766000  
1 1 1 21 32 13 o 26.31000 2.214000  -4.561000      4.428000  
1 1 1 21 32 15 o 21.33000 2.313000  5.079000       4.626000  
1 1 1 21 32 17 o 31.78000 1.811000  -1.983000      3.623000  
1 1 1 21 32 19 o 12.82000 2.590000  -3.868000      5.181000  
1 1 1 21 32 21 o 25.00000 2.126000  -1.836000      4.253000  
1 1 1 21 32 23 o 39.10000 2.082000  0.7775000      4.165000  
1 1 1 21 33 0  o 28.96000 3.263000  0.000000       0.000000  
1 1 1 21 33 2  f 22.17000 2.421000  -2.953000      4.842000  
1 1 1 21 33 4  o 18.84000 3.037000  1.507000       6.074000  
1 1 1 21 33 6  o 29.01000 2.013000  -3.391000      4.026000  
1 1 1 21 33 8  o 24.02000 2.428000  -2.088000      4.855000  
1 1 1 21 33 10 o 11.88000 3.120000  1.240000       6.239000  
1 1 1 21 33 12 o 21.50000 3.118000  0.2578000      6.235000  
1 1 1 21 33 14 o 33.01000 1.741000  0.2185000      3.483000  
1 1 1 21 33 16 o 13.59000 2.967000  -1.799000      5.934000  
1 1 1 21 33 18 o 10.37000 2.728000  -1.805000      5.455000  
1 1 1 21 33 20 o 9.251000 2.762000  -1.291000      5.524000  
1 1 1 21 33 22 o 11.68000 3.311000  2.000000       6.622000  
1 1 1 21 34 1  o 12.70000 3.246000  0.1074000      6.492000  
1 1 1 21 34 3  o 17.52000 3.406000  7.616000       6.812000  
1 1 1 21 34 5  o 23.80000 2.480000  1.918000       4.959000  
1 1 1 21 34 7  o 15.12000 3.184000  3.589000       6.367000  
1 1 1 21 34 9  f 15.53000 3.514000  1.211000       7.027000  
1 1 1 21 34 11 o 20.25000 2.850000  0.9559000      5.699000  
1 1 1 21 34 13 o 14.86000 3.054000  3.143000       6.108000  
1 1 1 21 34 15 o 14.32000 2.732000  -6.441000      5.465000  
1 1 1 21 34 17 o 34.72000 2.524000  -6.195000      5.047000  
1 1 1 21 34 19 f 28.92000 2.183000  -11.28000      4.367000  
1 1 1 21 34 21 o 10.55000 3.088000  -0.1786000     6.176000  
1 1 1 21 35 0  o 20.07000 4.047000  0.000000       0.000000  
1 1 1 21 35 2  o 14.59000 3.381000  0.2668000      6.763000  
1 1 1 21 35 4  o 13.01000 3.498000  0.4087000      6.995000  
1 1 1 21 35 6  o 14.81000 3.378000  1.162000       6.756000  
1 1 1 21 35 8  o 28.17000 2.130000  -0.8861000     4.259000  
1 1 1 21 35 10 o 29.86000 2.397000  -0.2286000     4.795000  
1 1 1 21 35 12 o 33.45000 1.944000  -0.5505000     3.888000  
1 1 1 21 35 14 o 18.75000 2.725000  -8.937000      5.451000  
1 1 1 21 35 16 o 9.779000 2.548000  -3.486000      5.097000  
1 1 1 21 35 18 f 32.28000 2.306000  1.611000       4.611000  
1 1 1 21 36 1  o 25.40000 2.316000  -0.7517000     4.633000  
1 1 1 21 36 3  o 30.59000 2.024000  -2.346000      4.047000  
1 1 1 21 36 5  o 22.40000 3.003000  1.858000       6.007000  
1 1 1 21 36 7  o 39.78000 1.712000  -2.003000      3.425000  
1 1 1 21 36 9  o 17.65000 3.275000  -4.254000      6.550000  
1 1 1 21 36 11 o 9.307000 2.960000  1.673000       5.920000  
1 1 1 21 36 13 o 7.957000 2.433000  -0.7287000     4.867000  
1 1 1 21 36 15 o 15.67000 4.366000  ?              ?         
1 1 1 21 36 17 o 18.25000 4.823000  ?              ?         
1 1 1 21 37 0  o 8.902000 4.077000  0.000000       0.000000  
1 1 1 21 37 2  o 11.91000 3.341000  1.636000       6.681000  
1 1 1 21 37 4  o 10.32000 3.142000  1.692000       6.284000  
1 1 1 21 37 6  o 11.10000 3.314000  -0.2463000     6.627000  
1 1 1 21 37 8  o 10.34000 3.408000  -2.197000      6.817000  
1 1 1 21 37 10 o 26.07000 4.200000  0.5062000      8.399000  
1 1 1 21 37 12 o 30.08000 2.658000  -6.642000      5.316000  
1 1 1 21 37 14 o 12.01000 2.911000  -6.776000      5.822000  
1 1 1 21 38 1  o 9.521000 2.815000  -1.506000      5.631000  
1 1 1 21 38 3  o 15.21000 2.934000  -3.423000      5.868000  
1 1 1 21 38 5  o 40.03000 1.935000  5.844000       3.870000  
1 1 1 21 38 7  o 44.03000 1.837000  -0.6856000     3.674000  
1 1 1 21 38 9  o 9.577000 2.956000  2.516000       5.911000  
1 1 1 21 39 0  o 6.907000 3.291000  0.000000       0.000000  
1 1 1 21 39 2  o 7.041000 2.407000  -0.5791000E-02 4.815000  
1 1 1 21 39 4  o 12.03000 2.957000  -3.497000      5.914000  
1 1 1 22 0  0  o 44.93000 1.420000  0.000000       0.000000  
1 1 1 22 0  2  o 6.930000 2.322000  0.000000       0.000000  
1 1 1 22 0  4  o 87.59000 1.641000  0.000000       0.000000  
1 1 1 22 0  6  o 91.81000 1.987000  0.000000       0.000000  
1 1 1 22 0  8  o 24.71000 1.198000  0.000000       0.000000  
1 1 1 22 0  10 o 16.88000 1.140000  0.000000       0.000000  
1 1 1 22 0  12 o 29.11000 1.091000  0.000000       0.000000  
1 1 1 22 0  14 o 6.987000 2.637000  0.000000       0.000000  
1 1 1 22 0  16 o 13.10000 1.990000  0.000000       0.000000  
1 1 1 22 0  18 o 7.398000 2.404000  0.000000       0.000000  
1 1 1 22 0  20 o 16.25000 1.545000  0.000000       0.000000  
1 1 1 22 0  22 o 70.54000 1.409000  0.000000       0.000000  
1 1 1 22 0  24 o 18.99000 1.443000  0.000000       0.000000  
1 1 1 22 0  26 o 14.87000 1.886000  0.000000       0.000000  
1 1 1 22 0  28 o 8.768000 3.330000  0.000000       0.000000  
1 1 1 22 0  30 o 86.58000 2.169000  0.000000       0.000000  
1 1 1 22 0  32 f 78.13000 2.298000  0.000000       0.000000  
1 1 1 22 0  34 o 13.66000 2.461000  0.000000       0.000000  
1 1 1 22 0  36 o 48.78000 1.382000  0.000000       0.000000  
1 1 1 22 0  38 o 5.756000 2.590000  0.000000       0.000000  
1 1 1 22 0  40 o 17.84000 2.632000  0.000000       0.000000  
1 1 1 22 1  1  o 66.58000 0.9163000 0.1198000      1.833000  
1 1 1 22 1  3  o 84.84000 1.124000  1.206000       2.248000  
1 1 1 22 1  5  o 71.57000 1.057000  1.206000       2.114000  
1 1 1 22 1  7  o 8.079000 1.869000  -1.443000      3.737000  
1 1 1 22 1  9  o 16.62000 1.040000  -0.7449000     2.079000  
1 1 1 22 1  11 o 57.82000 1.029000  -1.122000      2.058000  
1 1 1 22 1  13 o 42.33000 0.8446000 -0.3212000     1.689000  
1 1 1 22 1  15 o 18.79000 1.009000  0.4054000      2.018000  
1 1 1 22 1  17 o 41.82000 0.7887000 2.098000       1.577000  
1 1 1 22 1  19 o 28.58000 0.8165000 1.448000       1.633000  
1 1 1 22 1  21 o 49.98000 0.8702000 -2.017000      1.740000  
1 1 1 22 1  23 f 51.72000 0.8310000 -2.007000      1.662000  
1 1 1 22 1  25 o 42.47000 0.8248000 -0.8382000     1.650000  
1 1 1 22 1  27 o 30.77000 0.9210000 -0.4751000E-01 1.842000  
1 1 1 22 1  29 o 27.73000 1.294000  3.435000       2.589000  
1 1 1 22 1  31 o 7.276000 2.350000  -0.4090000E-01 4.699000  
1 1 1 22 1  33 o 13.44000 1.758000  -1.925000      3.517000  
1 1 1 22 1  35 o 7.684000 2.003000  -2.391000      4.007000  
1 1 1 22 1  37 o 16.23000 1.461000  -0.8405000     2.921000  
1 1 1 22 1  39 o 9.118000 2.264000  -1.455000      4.528000  
1 1 1 22 1  41 o 7.992000 2.729000  1.756000       5.458000  
1 1 1 22 2  0  o 8.114000 2.285000  0.000000       0.000000  
1 1 1 22 2  2  f 38.07000 0.6696000 0.3184000      1.339000  
1 1 1 22 2  4  o 50.37000 0.8187000 -1.225000      1.637000  
1 1 1 22 2  6  o 89.48000 1.364000  -0.1549000     2.729000  
1 1 1 22 2  8  o 104.8000 1.778000  3.382000       3.556000  
1 1 1 22 2  10 o 39.81000 0.8709000 -1.214000      1.742000  
1 1 1 22 2  12 o 50.64000 0.9401000 0.5110000      1.880000  
1 1 1 22 2  14 o 56.75000 0.9818000 1.727000       1.964000  
1 1 1 22 2  16 o 20.06000 0.8986000 -0.2735000     1.797000  
1 1 1 22 2  18 o 69.31000 1.052000  2.724000       2.105000  
1 1 1 22 2  20 o 18.36000 1.094000  -1.760000      2.188000  
1 1 1 22 2  22 o 38.49000 0.8727000 -2.596000      1.745000  
1 1 1 22 2  24 o 26.39000 0.9455000 -0.1916000     1.891000  
1 1 1 22 2  26 o 30.73000 1.045000  1.698000       2.090000  
1 1 1 22 2  28 o 28.87000 1.057000  0.9691000      2.114000  
1 1 1 22 2  30 o 37.32000 1.436000  1.711000       2.872000  
1 1 1 22 2  32 o 49.68000 1.267000  -0.6849000     2.534000  
1 1 1 22 2  34 o 29.87000 0.9821000 -0.5159000     1.964000  
1 1 1 22 2  36 o 17.40000 1.367000  0.4040000      2.733000  
1 1 1 22 2  38 o 24.19000 1.447000  0.5768000      2.895000  
1 1 1 22 2  40 o 20.52000 1.778000  2.989000       3.556000  
1 1 1 22 3  1  o 28.04000 0.6767000 -0.3565000     1.353000  
1 1 1 22 3  3  o 50.23000 0.7570000 -0.3660000     1.514000  
1 1 1 22 3  5  o 18.03000 0.9453000 -0.2683000     1.891000  
1 1 1 22 3  7  o 30.27000 0.7375000 0.2789000      1.475000  
1 1 1 22 3  9  f 30.27000 0.8539000 -0.1756000     1.708000  
1 1 1 22 3  11 o 14.55000 1.445000  0.7813000      2.890000  
1 1 1 22 3  13 o 45.96000 0.9009000 2.397000       1.802000  
1 1 1 22 3  15 o 35.10000 0.7355000 0.2816000      1.471000  
1 1 1 22 3  17 o 47.67000 0.7576000 -1.053000      1.515000  
1 1 1 22 3  19 o 47.74000 0.7641000 -4.511000      1.528000  
1 1 1 22 3  21 o 35.72000 0.9070000 -0.4232000     1.814000  
1 1 1 22 3  23 f 45.71000 0.8750000 -2.095000      1.750000  
1 1 1 22 3  25 o 51.51000 0.9659000 1.196000       1.932000  
1 1 1 22 3  27 o 25.02000 3.554000  -0.8350000     7.109000  
1 1 1 22 3  29 o 40.25000 1.720000  6.119000       3.441000  
1 1 1 22 3  31 o 20.61000 3.215000  -0.4028000     6.431000  
1 1 1 22 3  33 o 25.75000 2.494000  0.2300000      4.988000  
1 1 1 22 3  35 o 41.19000 1.105000  -0.2170000     2.210000  
1 1 1 22 3  37 f 19.83000 1.569000  3.015000       3.137000  
1 1 1 22 3  39 o 7.834000 2.258000  0.5824000      4.516000  
1 1 1 22 3  41 o 10.37000 3.211000  3.126000       6.423000  
1 1 1 22 4  0  o 108.0000 1.989000  0.000000       0.000000  
1 1 1 22 4  2  o 19.90000 0.7849000 -0.2190000     1.570000  
1 1 1 22 4  4  o 75.02000 1.096000  0.5818000      2.192000  
1 1 1 22 4  6  o 59.99000 0.9229000 -0.3986000     1.846000  
1 1 1 22 4  8  o 75.76000 1.064000  2.507000       2.128000  
1 1 1 22 4  10 o 49.72000 0.9397000 0.2667000      1.879000  
1 1 1 22 4  12 o 27.50000 0.8619000 -0.8376000E-01 1.724000  
1 1 1 22 4  14 o 31.83000 0.7455000 1.587000       1.491000  
1 1 1 22 4  16 f 31.23000 0.7338000 -1.662000      1.468000  
1 1 1 22 4  18 o 33.39000 0.7983000 -1.166000      1.597000  
1 1 1 22 4  20 o 22.39000 0.8110000 -2.559000      1.622000  
1 1 1 22 4  22 f 49.43000 0.8507000 -0.9772000     1.701000  
1 1 1 22 4  24 o 22.39000 0.8778000 0.7367000      1.756000  
1 1 1 22 4  26 o 8.120000 1.883000  0.5928000E-02  3.767000  
1 1 1 22 4  28 o 16.18000 1.443000  -2.438000      2.886000  
1 1 1 22 4  30 o 55.03000 1.650000  0.3705000      3.300000  
1 1 1 22 4  32 o 50.04000 1.710000  4.402000       3.420000  
1 1 1 22 4  34 o 24.33000 1.337000  0.1788000      2.674000  
1 1 1 22 4  36 o 8.469000 2.298000  -0.3157000     4.596000  
1 1 1 22 4  38 o 7.318000 2.154000  1.653000       4.308000  
1 1 1 22 4  40 o 37.64000 1.219000  2.647000       2.438000  
1 1 1 22 5  1  o 86.14000 1.142000  0.9780000      2.283000  
1 1 1 22 5  3  o 59.69000 0.8481000 -2.483000      1.696000  
1 1 1 22 5  5  o 76.51000 1.262000  2.283000       2.524000  
1 1 1 22 5  7  o 111.1000 1.567000  -0.5090000     3.133000  
1 1 1 22 5  9  o 54.71000 0.9957000 -1.922000      1.991000  
1 1 1 22 5  11 o 49.51000 0.9506000 -2.400000      1.901000  
1 1 1 22 5  13 o 30.47000 0.7137000 -1.235000      1.427000  
1 1 1 22 5  15 o 7.100000 1.771000  -0.8551000     3.543000  
1 1 1 22 5  17 o 30.18000 0.7382000 -0.3394000     1.476000  
1 1 1 22 5  19 o 45.95000 0.8741000 1.296000       1.748000  
1 1 1 22 5  21 o 58.85000 0.9375000 2.578000       1.875000  
1 1 1 22 5  23 o 53.09000 0.8738000 -1.942000      1.748000  
1 1 1 22 5  25 o 47.23000 0.8854000 -3.455000      1.771000  
1 1 1 22 5  27 o 39.86000 0.8342000 0.1898000      1.668000  
1 1 1 22 5  29 o 30.62000 1.379000  4.051000       2.758000  
1 1 1 22 5  31 o 30.75000 1.210000  4.343000       2.420000  
1 1 1 22 5  33 o 36.84000 1.116000  -1.850000      2.232000  
1 1 1 22 5  35 o 8.371000 2.121000  -1.744000      4.243000  
1 1 1 22 5  37 o 14.19000 2.238000  -0.7329000     4.476000  
1 1 1 22 5  39 o 15.91000 1.701000  3.532000       3.402000  
1 1 1 22 6  0  o 47.78000 1.044000  0.000000       0.000000  
1 1 1 22 6  2  o 13.49000 1.090000  -0.4657000     2.180000  
1 1 1 22 6  4  o 17.20000 1.131000  1.461000       2.262000  
1 1 1 22 6  6  o 27.12000 0.7931000 -2.803000      1.586000  
1 1 1 22 6  8  o 73.96000 1.200000  -1.050000      2.399000  
1 1 1 22 6  10 o 44.52000 0.9472000 -1.408000      1.894000  
1 1 1 22 6  12 o 70.18000 1.004000  0.5707000      2.008000  
1 1 1 22 6  14 o 19.94000 0.8580000 0.1627000E-01  1.716000  
1 1 1 22 6  16 o 14.00000 1.160000  0.9180000      2.321000  
1 1 1 22 6  18 o 21.92000 0.8741000 1.433000       1.748000  
1 1 1 22 6  20 o 53.06000 0.8687000 1.713000       1.737000  
1 1 1 22 6  22 o 40.15000 0.7864000 1.480000       1.573000  
1 1 1 22 6  24 o 18.49000 1.035000  0.8084000      2.070000  
1 1 1 22 6  26 o 6.887000 1.841000  1.554000       3.682000  
1 1 1 22 6  28 o 18.51000 1.675000  4.322000       3.350000  
1 1 1 22 6  30 o 26.31000 1.535000  0.8478000      3.070000  
1 1 1 22 6  32 o 38.42000 1.099000  -1.060000      2.198000  
1 1 1 22 6  34 o 25.95000 1.023000  -0.1626000     2.046000  
1 1 1 22 6  36 o 14.10000 1.863000  3.643000       3.727000  
1 1 1 22 6  38 o 24.04000 1.220000  -0.3919000     2.440000  
1 1 1 22 6  40 f 16.79000 4.083000  ?              ?         
1 1 1 22 7  1  f 117.1000 1.649000  -1.414000      3.298000  
1 1 1 22 7  3  o 58.83000 0.8837000 0.5648000      1.767000  
1 1 1 22 7  5  o 38.68000 0.7730000 0.9660000      1.546000  
1 1 1 22 7  7  o 77.67000 1.098000  -3.528000      2.195000  
1 1 1 22 7  9  o 87.57000 1.383000  -0.3866000     2.766000  
1 1 1 22 7  11 o 27.37000 0.8799000 -1.206000      1.760000  
1 1 1 22 7  13 o 42.66000 0.7534000 -2.355000      1.507000  
1 1 1 22 7  15 o 40.62000 0.7465000 -0.7911000     1.493000  
1 1 1 22 7  17 f 35.19000 0.8184000 0.8594000      1.637000  
1 1 1 22 7  19 o 36.89000 0.7441000 0.8845000      1.488000  
1 1 1 22 7  21 o 57.56000 0.8870000 0.9478000      1.774000  
1 1 1 22 7  23 o 8.526000 1.755000  -1.297000      3.510000  
1 1 1 22 7  25 o 49.86000 1.137000  0.7798000      2.274000  
1 1 1 22 7  27 o 45.85000 0.9484000 1.084000       1.897000  
1 1 1 22 7  29 o 61.89000 1.266000  3.809000       2.533000  
1 1 1 22 7  31 o 32.14000 1.079000  -1.431000      2.158000  
1 1 1 22 7  33 o 18.78000 1.592000  0.7558000      3.184000  
1 1 1 22 7  35 o 6.972000 2.016000  -2.192000      4.033000  
1 1 1 22 7  37 o 25.17000 1.172000  1.995000       2.343000  
1 1 1 22 7  39 o 33.97000 1.454000  -1.014000      2.909000  
1 1 1 22 8  0  o 65.76000 1.301000  0.000000       0.000000  
1 1 1 22 8  2  o 49.81000 0.8103000 -0.6401000E-01 1.621000  
1 1 1 22 8  4  o 56.86000 0.9138000 -2.045000      1.828000  
1 1 1 22 8  6  o 19.02000 1.038000  -1.580000      2.077000  
1 1 1 22 8  8  o 48.78000 0.8980000 -0.4279000     1.796000  
1 1 1 22 8  10 o 55.92000 0.9744000 0.5022000      1.949000  
1 1 1 22 8  12 o 11.10000 1.493000  -0.5197000     2.987000  
1 1 1 22 8  14 o 33.16000 0.7343000 1.720000       1.469000  
1 1 1 22 8  16 o 29.16000 0.7519000 2.657000       1.504000  
1 1 1 22 8  18 o 59.07000 0.9028000 0.7034000      1.806000  
1 1 1 22 8  20 o 28.49000 0.7993000 -0.5491000     1.599000  
1 1 1 22 8  22 o 72.92000 1.060000  -2.684000      2.119000  
1 1 1 22 8  24 o 99.26000 1.432000  -0.9515000     2.864000  
1 1 1 22 8  26 o 17.65000 1.190000  -0.2041000     2.380000  
1 1 1 22 8  28 o 31.21000 1.145000  1.986000       2.291000  
1 1 1 22 8  30 o 33.85000 1.305000  -2.467000      2.609000  
1 1 1 22 8  32 o 44.11000 1.252000  0.7535000      2.504000  
1 1 1 22 8  34 o 26.59000 1.233000  -3.198000      2.467000  
1 1 1 22 8  36 o 11.78000 2.131000  2.632000       4.263000  
1 1 1 22 8  38 o 12.50000 2.355000  -0.2032000     4.709000  
1 1 1 22 8  40 o 6.620000 2.345000  2.211000       4.690000  
1 1 1 22 9  1  o 73.68000 1.018000  -0.3935000     2.036000  
1 1 1 22 9  3  o 56.58000 1.081000  -1.366000      2.162000  
1 1 1 22 9  5  o 31.02000 0.7942000 -3.332000      1.588000  
1 1 1 22 9  7  o 44.93000 0.8112000 0.8138000      1.622000  
1 1 1 22 9  9  o 41.26000 0.8388000 2.444000       1.678000  
1 1 1 22 9  11 o 6.831000 1.897000  -1.752000      3.795000  
1 1 1 22 9  13 o 31.11000 0.7652000 -0.9710000     1.530000  
1 1 1 22 9  15 o 5.632000 1.667000  -2.617000      3.333000  
1 1 1 22 9  17 o 22.86000 0.8673000 1.900000       1.735000  
1 1 1 22 9  19 o 30.88000 0.7722000 -0.7287000     1.544000  
1 1 1 22 9  21 o 42.86000 0.7732000 -1.442000      1.546000  
1 1 1 22 9  23 o 23.42000 0.8807000 -2.906000      1.761000  
1 1 1 22 9  25 o 23.08000 0.9343000 1.097000       1.869000  
1 1 1 22 9  27 o 60.54000 1.198000  -1.635000      2.396000  
1 1 1 22 9  29 o 32.80000 1.201000  2.122000       2.402000  
1 1 1 22 9  31 o 59.70000 1.196000  -3.720000      2.392000  
1 1 1 22 9  33 o 48.14000 1.802000  1.769000       3.603000  
1 1 1 22 9  35 o 14.85000 2.204000  -2.298000      4.408000  
1 1 1 22 9  37 o 23.36000 1.453000  1.632000       2.906000  
1 1 1 22 9  39 o 36.64000 1.465000  2.195000       2.930000  
1 1 1 22 10 0  o 60.65000 1.250000  0.000000       0.000000  
1 1 1 22 10 2  o 34.56000 0.7385000 2.562000       1.477000  
1 1 1 22 10 4  o 52.91000 0.8108000 0.5067000      1.622000  
1 1 1 22 10 6  o 36.50000 0.7880000 -2.917000      1.576000  
1 1 1 22 10 8  o 12.66000 1.476000  2.293000       2.953000  
1 1 1 22 10 10 o 30.52000 0.8547000 1.005000       1.709000  
1 1 1 22 10 12 o 19.56000 0.9697000 -0.1625000     1.939000  
1 1 1 22 10 14 o 28.50000 0.7780000 0.5426000      1.556000  
1 1 1 22 10 16 o 36.04000 0.7788000 -0.4714000     1.558000  
1 1 1 22 10 18 o 48.56000 0.8358000 -0.7072000     1.672000  
1 1 1 22 10 20 o 40.00000 0.7683000 0.6626000      1.537000  
1 1 1 22 10 22 o 42.67000 0.8030000 -0.1474000     1.606000  
1 1 1 22 10 24 o 34.00000 0.8862000 -2.133000      1.772000  
1 1 1 22 10 26 o 16.85000 1.383000  1.677000       2.765000  
1 1 1 22 10 28 o 45.76000 1.388000  -2.413000      2.776000  
1 1 1 22 10 30 o 56.59000 1.271000  1.828000       2.542000  
1 1 1 22 10 32 o 33.05000 2.381000  3.431000       4.762000  
1 1 1 22 10 34 o 18.17000 1.733000  -0.9343000     3.466000  
1 1 1 22 10 36 o 22.35000 1.413000  -1.167000      2.827000  
1 1 1 22 10 38 o 6.819000 2.193000  0.7525000      4.387000  
1 1 1 22 11 1  o 49.14000 0.8657000 -1.984000      1.731000  
1 1 1 22 11 3  o 17.56000 1.046000  0.8018000      2.091000  
1 1 1 22 11 5  o 48.69000 0.8628000 -0.8806000     1.726000  
1 1 1 22 11 7  o 54.91000 0.8992000 -0.7541000     1.798000  
1 1 1 22 11 9  o 39.46000 0.8475000 -1.091000      1.695000  
1 1 1 22 11 11 o 42.09000 0.8752000 1.033000       1.750000  
1 1 1 22 11 13 o 9.863000 1.710000  -0.2389000     3.419000  
1 1 1 22 11 15 o 66.34000 0.9884000 0.8917000      1.977000  
1 1 1 22 11 17 o 73.84000 1.069000  -0.6084000     2.138000  
1 1 1 22 11 19 o 62.70000 0.9380000 4.672000       1.876000  
1 1 1 22 11 21 o 32.95000 0.7764000 -1.436000      1.553000  
1 1 1 22 11 23 o 36.79000 0.9613000 -1.086000      1.923000  
1 1 1 22 11 25 o 50.37000 0.9556000 -2.831000      1.911000  
1 1 1 22 11 27 o 53.62000 1.234000  -2.418000      2.469000  
1 1 1 22 11 29 o 6.266000 2.055000  -0.5014000E-02 4.111000  
1 1 1 22 11 31 o 13.80000 3.617000  4.711000       7.234000  
1 1 1 22 11 33 f 21.75000 4.645000  4.344000       9.289000  
1 1 1 22 11 35 o 25.85000 1.309000  3.495000       2.618000  
1 1 1 22 11 37 o 38.22000 1.290000  3.702000       2.580000  
1 1 1 22 11 39 o 13.46000 3.747000  1.687000       7.495000  
1 1 1 22 12 0  o 7.049000 2.589000  0.000000       0.000000  
1 1 1 22 12 2  o 33.34000 0.7456000 -0.9043000     1.491000  
1 1 1 22 12 4  o 32.87000 0.7603000 -0.4357000     1.521000  
1 1 1 22 12 6  o 38.37000 0.9282000 3.379000       1.856000  
1 1 1 22 12 8  o 19.18000 1.087000  -2.830000      2.175000  
1 1 1 22 12 10 o 30.00000 0.8154000 0.9827000      1.631000  
1 1 1 22 12 12 o 18.10000 1.156000  -0.5869000E-02 2.312000  
1 1 1 22 12 14 o 55.71000 0.8919000 -0.8969000     1.784000  
1 1 1 22 12 16 o 12.44000 1.553000  2.511000       3.106000  
1 1 1 22 12 18 o 9.819000 1.810000  -3.301000      3.621000  
1 1 1 22 12 20 o 36.02000 0.8110000 -0.5054000     1.622000  
1 1 1 22 12 22 o 35.43000 0.8116000 0.4349000      1.623000  
1 1 1 22 12 24 o 41.74000 0.8969000 1.146000       1.794000  
1 1 1 22 12 26 f 29.99000 1.194000  2.700000       2.389000  
1 1 1 22 12 28 f 76.54000 1.556000  3.326000       3.112000  
1 1 1 22 12 30 o 29.53000 1.130000  -3.474000      2.260000  
1 1 1 22 12 32 o 16.76000 3.820000  -0.8275000     7.640000  
1 1 1 22 12 34 o 13.68000 2.401000  0.7840000      4.803000  
1 1 1 22 12 36 o 48.28000 1.265000  -0.6606000     2.530000  
1 1 1 22 12 38 o 60.91000 1.664000  -3.406000      3.328000  
1 1 1 22 13 1  o 28.98000 0.8887000 -3.115000      1.777000  
1 1 1 22 13 3  o 46.38000 0.7883000 -0.1381000     1.577000  
1 1 1 22 13 5  o 42.75000 0.7752000 0.8253000      1.550000  
1 1 1 22 13 7  f 34.75000 0.8568000 2.823000       1.714000  
1 1 1 22 13 9  o 17.23000 1.077000  -2.671000      2.153000  
1 1 1 22 13 11 o 27.13000 0.8547000 -0.4667000     1.709000  
1 1 1 22 13 13 o 64.69000 1.202000  -0.2508000     2.403000  
1 1 1 22 13 15 o 50.35000 0.8605000 1.189000       1.721000  
1 1 1 22 13 17 o 6.688000 1.852000  -2.395000      3.705000  
1 1 1 22 13 19 o 49.90000 0.8879000 0.3759000      1.776000  
1 1 1 22 13 21 o 49.23000 0.8749000 -1.698000      1.750000  
1 1 1 22 13 23 o 21.86000 1.123000  1.240000       2.245000  
1 1 1 22 13 25 o 43.23000 1.066000  1.007000       2.131000  
1 1 1 22 13 27 o 36.29000 1.288000  2.147000       2.576000  
1 1 1 22 13 29 o 19.56000 1.647000  0.9362000      3.293000  
1 1 1 22 13 31 o 23.97000 4.278000  -4.471000      8.556000  
1 1 1 22 13 33 o 18.88000 1.454000  -0.4049000     2.908000  
1 1 1 22 13 35 o 27.13000 1.206000  2.428000       2.413000  
1 1 1 22 13 37 o 7.132000 2.237000  0.1385000      4.475000  
1 1 1 22 14 0  o 92.63000 1.761000  0.000000       0.000000  
1 1 1 22 14 2  o 35.71000 0.7805000 0.2138000      1.561000  
1 1 1 22 14 4  o 56.72000 0.8602000 -0.4185000     1.720000  
1 1 1 22 14 6  o 62.08000 0.9169000 1.917000       1.834000  
1 1 1 22 14 8  o 87.98000 1.294000  -0.7683000     2.588000  
1 1 1 22 14 10 o 46.57000 0.7913000 0.4439000      1.583000  
1 1 1 22 14 12 o 44.83000 0.8517000 0.8994000      1.703000  
1 1 1 22 14 14 o 47.98000 0.8357000 0.8545000E-03  1.671000  
1 1 1 22 14 16 o 57.91000 0.9848000 1.200000       1.970000  
1 1 1 22 14 18 o 60.90000 1.006000  3.215000       2.013000  
1 1 1 22 14 20 o 46.06000 0.8604000 -0.4400000     1.721000  
1 1 1 22 14 22 o 10.54000 2.379000  -1.461000      4.758000  
1 1 1 22 14 24 o 15.12000 1.936000  0.5429000E-01  3.872000  
1 1 1 22 14 26 o 41.05000 1.283000  -4.393000      2.565000  
1 1 1 22 14 28 o 18.65000 1.589000  2.095000       3.178000  
1 1 1 22 14 30 o 21.14000 4.252000  -1.917000      8.504000  
1 1 1 22 14 32 o 25.52000 4.538000  -4.267000      9.076000  
1 1 1 22 14 34 o 25.76000 1.309000  3.073000       2.617000  
1 1 1 22 14 36 f 11.07000 2.433000  0.5748000      4.866000  
1 1 1 22 14 38 o 11.14000 3.354000  2.781000       6.709000  
1 1 1 22 15 1  o 63.76000 0.9420000 0.1537000      1.884000  
1 1 1 22 15 3  o 58.44000 0.8866000 -0.2202000     1.773000  
1 1 1 22 15 5  o 21.07000 1.001000  2.377000       2.003000  
1 1 1 22 15 7  o 39.09000 0.7826000 -0.6580000     1.565000  
1 1 1 22 15 9  f 52.78000 1.061000  2.444000       2.122000  
1 1 1 22 15 11 o 30.87000 0.8833000 -0.5537000     1.767000  
1 1 1 22 15 13 o 22.26000 0.9970000 0.6485000      1.994000  
1 1 1 22 15 15 o 64.04000 1.043000  -0.4068000     2.087000  
1 1 1 22 15 17 o 44.74000 1.010000  -0.6776000     2.020000  
1 1 1 22 15 19 o 30.06000 0.9765000 -0.3188000     1.953000  
1 1 1 22 15 21 o 14.04000 1.631000  1.457000       3.263000  
1 1 1 22 15 23 o 11.14000 2.269000  -0.1988000     4.538000  
1 1 1 22 15 25 o 25.50000 1.772000  -2.502000      3.543000  
1 1 1 22 15 27 o 8.875000 2.347000  -0.3204000E-01 4.694000  
1 1 1 22 15 29 f 23.25000 1.237000  1.145000       2.473000  
1 1 1 22 15 31 o 23.98000 4.313000  6.690000       8.626000  
1 1 1 22 15 33 o 26.72000 1.254000  1.495000       2.507000  
1 1 1 22 15 35 o 9.794000 2.330000  -0.9680000     4.660000  
1 1 1 22 15 37 o 41.48000 1.831000  6.636000       3.662000  
1 1 1 22 16 0  o 17.79000 1.694000  0.000000       0.000000  
1 1 1 22 16 2  o 35.87000 0.8138000 -0.8687000     1.628000  
1 1 1 22 16 4  o 10.87000 1.768000  -3.171000      3.536000  
1 1 1 22 16 6  o 43.73000 0.8015000 0.7872000      1.603000  
1 1 1 22 16 8  o 46.44000 0.8265000 -1.078000      1.653000  
1 1 1 22 16 10 o 32.17000 0.9522000 -1.338000      1.904000  
1 1 1 22 16 12 o 74.79000 1.171000  1.143000       2.342000  
1 1 1 22 16 14 o 52.24000 1.137000  1.339000       2.275000  
1 1 1 22 16 16 o 17.46000 1.488000  -0.5603000     2.976000  
1 1 1 22 16 18 o 56.30000 1.153000  1.580000       2.306000  
1 1 1 22 16 20 o 35.39000 1.066000  1.646000       2.132000  
1 1 1 22 16 22 o 75.57000 1.575000  -8.432000      3.151000  
1 1 1 22 16 24 o 46.45000 1.587000  -3.146000      3.173000  
1 1 1 22 16 26 o 18.02000 1.921000  4.532000       3.843000  
1 1 1 22 16 28 o 41.38000 1.183000  2.592000       2.367000  
1 1 1 22 16 30 o 40.98000 1.168000  1.745000       2.335000  
1 1 1 22 16 32 o 19.77000 1.894000  -0.6132000E-02 3.787000  
1 1 1 22 16 34 o 35.72000 1.167000  -1.413000      2.334000  
1 1 1 22 16 36 o 41.85000 2.658000  2.069000       5.317000  
1 1 1 22 17 1  o 64.48000 1.096000  3.033000       2.192000  
1 1 1 22 17 3  o 23.76000 0.9800000 -1.915000      1.960000  
1 1 1 22 17 5  o 33.04000 0.8504000 -0.1361000     1.701000  
1 1 1 22 17 7  o 38.90000 0.8230000 1.308000       1.646000  
1 1 1 22 17 9  o 44.46000 0.9523000 2.153000       1.905000  
1 1 1 22 17 11 o 10.76000 2.721000  2.338000       5.441000  
1 1 1 22 17 13 o 49.54000 1.077000  -2.214000      2.154000  
1 1 1 22 17 15 o 14.69000 1.739000  -0.4121000     3.479000  
1 1 1 22 17 17 f 29.69000 1.098000  -0.6883000E-01 2.196000  
1 1 1 22 17 19 o 71.64000 1.354000  1.357000       2.709000  
1 1 1 22 17 21 o 23.53000 1.409000  1.232000       2.818000  
1 1 1 22 17 23 o 13.65000 2.458000  6.406000       4.915000  
1 1 1 22 17 25 o 26.55000 1.469000  1.315000       2.939000  
1 1 1 22 17 27 o 21.74000 1.469000  2.029000       2.939000  
1 1 1 22 17 29 o 25.39000 1.271000  1.494000       2.543000  
1 1 1 22 17 31 o 38.83000 2.918000  5.104000       5.836000  
1 1 1 22 17 33 o 6.855000 2.039000  1.471000       4.078000  
1 1 1 22 17 35 o 7.499000 2.304000  1.765000       4.608000  
1 1 1 22 18 0  o 38.47000 1.293000  0.000000       0.000000  
1 1 1 22 18 2  o 12.99000 1.676000  1.747000       3.351000  
1 1 1 22 18 4  o 22.88000 1.030000  -0.2181000     2.060000  
1 1 1 22 18 6  o 30.51000 0.8922000 -1.132000      1.784000  
1 1 1 22 18 8  o 22.29000 1.409000  0.8354000E-03  2.817000  
1 1 1 22 18 10 o 78.28000 1.768000  -5.215000      3.537000  
1 1 1 22 18 12 o 43.83000 1.729000  4.138000       3.458000  
1 1 1 22 18 14 o 38.21000 1.119000  -0.1132000     2.237000  
1 1 1 22 18 16 o 7.667000 2.157000  3.644000       4.315000  
1 1 1 22 18 18 o 32.51000 1.243000  0.6838000      2.486000  
1 1 1 22 18 20 o 13.00000 2.669000  -0.8822000     5.338000  
1 1 1 22 18 22 o 9.578000 2.547000  4.917000       5.094000  
1 1 1 22 18 24 o 17.05000 2.154000  -1.106000      4.309000  
1 1 1 22 18 26 o 29.78000 1.228000  0.8709000      2.455000  
1 1 1 22 18 28 o 27.82000 1.231000  -1.510000      2.461000  
1 1 1 22 18 30 o 6.661000 2.031000  -0.6960000     4.062000  
1 1 1 22 18 32 o 29.48000 3.744000  -19.02000      7.487000  
1 1 1 22 18 34 o 15.08000 2.466000  -10.42000      4.932000  
1 1 1 22 18 36 o 12.94000 2.832000  -10.12000      5.663000  
1 1 1 22 19 1  o 79.70000 1.140000  -1.315000      2.279000  
1 1 1 22 19 3  o 20.01000 1.242000  -0.9507000E-01 2.483000  
1 1 1 22 19 5  o 42.74000 0.8989000 0.1880000      1.798000  
1 1 1 22 19 7  o 78.35000 1.224000  0.8379000      2.447000  
1 1 1 22 19 9  o 11.50000 2.210000  0.1790000      4.419000  
1 1 1 22 19 11 o 24.12000 2.896000  -4.031000      5.793000  
1 1 1 22 19 13 f 22.80000 3.278000  3.067000       6.555000  
1 1 1 22 19 15 o 32.68000 1.155000  2.648000       2.309000  
1 1 1 22 19 17 o 10.53000 2.499000  -0.8866000     4.997000  
1 1 1 22 19 19 o 35.35000 1.281000  -2.773000      2.563000  
1 1 1 22 19 21 o 12.93000 2.584000  4.993000       5.168000  
1 1 1 22 19 23 o 9.414000 2.630000  2.577000       5.260000  
1 1 1 22 19 25 f 31.51000 1.287000  -0.1199000     2.574000  
1 1 1 22 19 27 o 18.70000 1.540000  0.3758000      3.080000  
1 1 1 22 19 29 o 21.91000 1.350000  1.917000       2.699000  
1 1 1 22 19 31 o 24.13000 1.279000  -1.313000      2.558000  
1 1 1 22 19 33 o 27.10000 4.623000  -5.772000      9.246000  
1 1 1 22 19 35 o 31.31000 2.058000  -4.961000      4.117000  
1 1 1 22 20 0  o 7.028000 2.929000  0.000000       0.000000  
1 1 1 22 20 2  o 45.78000 0.9311000 2.283000       1.862000  
1 1 1 22 20 4  o 48.59000 0.9497000 -1.706000      1.899000  
1 1 1 22 20 6  o 11.94000 2.225000  0.1608000      4.451000  
1 1 1 22 20 8  o 15.97000 1.952000  1.074000       3.905000  
1 1 1 22 20 10 o 55.58000 1.119000  0.2533000      2.238000  
1 1 1 22 20 12 o 64.40000 1.901000  -2.894000      3.802000  
1 1 1 22 20 14 o 59.47000 1.919000  -1.597000      3.839000  
1 1 1 22 20 16 o 19.82000 2.059000  -5.878000      4.119000  
1 1 1 22 20 18 o 43.63000 1.410000  1.328000       2.820000  
1 1 1 22 20 20 f 30.72000 1.512000  -1.743000      3.023000  
1 1 1 22 20 22 o 46.16000 1.694000  0.2329000      3.388000  
1 1 1 22 20 24 o 43.36000 1.347000  2.146000       2.694000  
1 1 1 22 20 26 o 33.31000 1.303000  -1.684000      2.607000  
1 1 1 22 20 28 o 8.385000 2.200000  -0.9998000     4.400000  
1 1 1 22 20 30 o 24.18000 3.968000  -5.533000      7.936000  
1 1 1 22 20 32 o 7.133000 2.115000  -0.7177000     4.230000  
1 1 1 22 20 34 o 34.16000 2.068000  6.401000       4.137000  
1 1 1 22 21 1  o 18.75000 1.387000  -0.8107000     2.774000  
1 1 1 22 21 3  o 53.75000 1.076000  0.6219000      2.153000  
1 1 1 22 21 5  o 20.84000 1.492000  0.4104000E-01  2.984000  
1 1 1 22 21 7  o 81.90000 1.362000  -2.136000      2.724000  
1 1 1 22 21 9  o 55.87000 1.192000  0.1940000      2.383000  
1 1 1 22 21 11 o 9.481000 2.618000  1.940000       5.236000  
1 1 1 22 21 13 o 28.91000 3.210000  -2.138000      6.419000  
1 1 1 22 21 15 o 38.56000 2.605000  1.202000       5.209000  
1 1 1 22 21 17 o 11.12000 2.620000  0.7727000E-01  5.241000  
1 1 1 22 21 19 o 15.88000 2.941000  1.831000       5.881000  
1 1 1 22 21 21 o 22.11000 2.385000  1.340000       4.770000  
1 1 1 22 21 23 o 37.51000 1.375000  0.2041000      2.749000  
1 1 1 22 21 25 o 12.41000 2.283000  4.450000       4.566000  
1 1 1 22 21 27 o 47.05000 3.400000  -7.121000      6.800000  
1 1 1 22 21 29 o 20.18000 1.501000  -0.8440000     3.003000  
1 1 1 22 21 31 o 12.35000 2.124000  -4.909000      4.248000  
1 1 1 22 21 33 o 29.44000 1.420000  -1.788000      2.841000  
1 1 1 22 22 0  o 7.909000 3.538000  0.000000       0.000000  
1 1 1 22 22 2  o 24.64000 1.770000  -0.4360000     3.540000  
1 1 1 22 22 4  o 38.92000 1.327000  -0.4423000E-01 2.653000  
1 1 1 22 22 6  o 13.37000 2.821000  0.4124000      5.643000  
1 1 1 22 22 8  o 31.57000 1.772000  2.370000       3.545000  
1 1 1 22 22 10 o 34.05000 1.451000  -3.381000      2.902000  
1 1 1 22 22 12 o 7.849000 2.376000  2.700000       4.751000  
1 1 1 22 22 14 o 10.91000 3.549000  8.538000       7.098000  
1 1 1 22 22 16 o 11.79000 2.513000  -3.677000      5.026000  
1 1 1 22 22 18 o 16.45000 3.257000  8.759000       6.515000  
1 1 1 22 22 20 o 7.397000 2.370000  1.458000       4.740000  
1 1 1 22 22 22 o 7.307000 2.292000  0.4096000      4.583000  
1 1 1 22 22 24 f 36.59000 1.192000  -3.353000      2.383000  
1 1 1 22 22 26 o 15.34000 2.273000  -5.805000      4.546000  
1 1 1 22 22 28 o 9.709000 2.258000  -0.9988000     4.516000  
1 1 1 22 22 30 o 15.46000 1.812000  -7.418000      3.624000  
1 1 1 22 22 32 o 9.932000 2.569000  -2.135000      5.138000  
1 1 1 22 23 1  o 17.46000 1.959000  2.036000       3.918000  
1 1 1 22 23 3  o 43.57000 1.157000  1.591000       2.314000  
1 1 1 22 23 5  o 14.48000 2.389000  -1.882000      4.777000  
1 1 1 22 23 7  o 41.03000 1.256000  3.016000       2.512000  
1 1 1 22 23 9  o 35.75000 1.285000  -2.642000      2.570000  
1 1 1 22 23 11 o 40.20000 1.266000  -0.5236000     2.532000  
1 1 1 22 23 13 o 29.57000 1.711000  3.366000       3.423000  
1 1 1 22 23 15 o 11.79000 3.746000  4.037000       7.492000  
1 1 1 22 23 17 o 31.89000 2.071000  -2.804000      4.142000  
1 1 1 22 23 19 o 18.44000 2.780000  1.468000       5.560000  
1 1 1 22 23 21 o 40.06000 1.289000  -0.4211000     2.579000  
1 1 1 22 23 23 o 9.325000 2.410000  1.362000       4.821000  
1 1 1 22 23 25 o 28.73000 1.291000  -2.415000      2.582000  
1 1 1 22 23 27 o 29.58000 1.257000  -4.518000      2.515000  
1 1 1 22 23 29 o 6.598000 2.024000  -1.224000      4.047000  
1 1 1 22 23 31 o 12.25000 2.865000  -7.047000      5.730000  
1 1 1 22 24 0  o 26.82000 2.100000  0.000000       0.000000  
1 1 1 22 24 2  f 9.267000 2.556000  0.4539000      5.113000  
1 1 1 22 24 4  o 8.727000 2.504000  0.9375000      5.008000  
1 1 1 22 24 6  o 13.48000 2.512000  0.1456000      5.024000  
1 1 1 22 24 8  o 39.32000 1.470000  -0.7497000     2.940000  
1 1 1 22 24 10 o 42.01000 1.478000  3.385000       2.956000  
1 1 1 22 24 12 o 36.24000 1.643000  0.7087000      3.286000  
1 1 1 22 24 14 o 25.87000 2.409000  0.5854000      4.817000  
1 1 1 22 24 16 o 44.79000 1.680000  ?              ?         
1 1 1 22 24 18 f 25.71000 2.031000  -5.468000      4.061000  
1 1 1 22 24 20 o 18.35000 2.355000  -4.143000      4.710000  
1 1 1 22 24 22 o 13.75000 2.272000  -4.896000      4.544000  
1 1 1 22 24 24 o 23.68000 1.516000  0.7031000      3.032000  
1 1 1 22 24 26 o 25.40000 1.485000  0.5341000      2.969000  
1 1 1 22 24 28 o 16.49000 2.785000  -7.388000      5.570000  
1 1 1 22 24 30 o 6.828000 2.106000  2.507000       4.213000  
1 1 1 22 24 32 o 20.18000 3.354000  -15.06000      6.708000  
1 1 1 22 25 1  o 10.68000 2.810000  0.3081000E-01  5.621000  
1 1 1 22 25 3  o 38.09000 1.451000  -0.8878000     2.902000  
1 1 1 22 25 5  o 53.33000 1.369000  -0.8472000     2.738000  
1 1 1 22 25 7  o 84.29000 1.700000  -3.032000      3.399000  
1 1 1 22 25 9  o 47.49000 1.400000  -5.447000      2.801000  
1 1 1 22 25 11 o 9.050000 2.859000  2.419000       5.717000  
1 1 1 22 25 13 o 38.62000 1.878000  7.497000       3.756000  
1 1 1 22 25 15 o 42.60000 1.786000  0.7851000      3.572000  
1 1 1 22 25 17 o 10.57000 2.624000  -4.689000      5.249000  
1 1 1 22 25 19 o 22.02000 1.915000  -2.504000      3.830000  
1 1 1 22 25 21 f 14.95000 2.482000  2.366000       4.965000  
1 1 1 22 25 23 o 10.75000 2.379000  -3.294000      4.757000  
1 1 1 22 25 25 o 18.81000 1.882000  -0.3568000     3.764000  
1 1 1 22 25 27 o 15.06000 2.170000  -3.623000      4.339000  
1 1 1 22 25 29 o 10.30000 2.514000  -0.3306000     5.027000  
1 1 1 22 25 31 o 14.05000 3.374000  -8.147000      6.748000  
1 1 1 22 26 0  o 8.578000 3.737000  0.000000       0.000000  
1 1 1 22 26 2  o 10.11000 2.851000  0.2183000      5.702000  
1 1 1 22 26 4  o 16.82000 2.790000  0.7951000      5.580000  
1 1 1 22 26 6  f 9.576000 2.849000  3.644000       5.698000  
1 1 1 22 26 8  o 18.81000 3.097000  3.217000       6.195000  
1 1 1 22 26 10 o 69.88000 1.747000  -4.999000      3.494000  
1 1 1 22 26 12 o 14.39000 3.475000  -2.327000      6.949000  
1 1 1 22 26 14 o 49.50000 3.167000  1.962000       6.334000  
1 1 1 22 26 16 o 11.35000 3.236000  -0.4998000     6.472000  
1 1 1 22 26 18 o 63.39000 2.533000  -0.6248000     5.067000  
1 1 1 22 26 20 o 27.51000 1.525000  -3.963000      3.049000  
1 1 1 22 26 22 o 19.86000 2.101000  -4.337000      4.202000  
1 1 1 22 26 24 o 34.61000 1.299000  3.766000       2.599000  
1 1 1 22 26 26 o 35.94000 1.309000  1.107000       2.619000  
1 1 1 22 26 28 f 9.054000 2.511000  0.7537000      5.021000  
1 1 1 22 26 30 f 10.28000 3.125000  -0.7717000     6.249000  
1 1 1 22 27 1  o 6.140000 2.162000  0.7580000      4.324000  
1 1 1 22 27 3  o 19.34000 3.103000  1.349000       6.207000  
1 1 1 22 27 5  f 9.266000 2.989000  3.165000       5.979000  
1 1 1 22 27 7  o 55.08000 2.079000  6.927000       4.158000  
1 1 1 22 27 9  o 17.74000 3.609000  -3.976000      7.218000  
1 1 1 22 27 11 o 46.58000 1.810000  0.1358000E-01  3.620000  
1 1 1 22 27 13 o 32.35000 1.875000  -1.774000      3.751000  
1 1 1 22 27 15 o 12.53000 2.910000  5.635000       5.820000  
1 1 1 22 27 17 o 43.25000 1.410000  -3.488000      2.820000  
1 1 1 22 27 19 o 23.39000 3.708000  -9.587000      7.417000  
1 1 1 22 27 21 o 27.83000 1.497000  -1.641000      2.994000  
1 1 1 22 27 23 o 22.29000 1.782000  -1.174000      3.564000  
1 1 1 22 27 25 o 8.048000 2.327000  -0.7865000     4.654000  
1 1 1 22 27 27 o 10.12000 2.946000  4.926000       5.891000  
1 1 1 22 27 29 o 9.958000 3.053000  -0.1460000     6.106000  
1 1 1 22 28 0  o 56.53000 1.884000  0.000000       0.000000  
1 1 1 22 28 2  o 43.99000 2.000000  -5.004000      4.001000  
1 1 1 22 28 4  o 32.82000 2.749000  -1.528000      5.498000  
1 1 1 22 28 6  o 8.428000 2.794000  -0.7394000     5.588000  
1 1 1 22 28 8  o 27.51000 3.023000  5.750000       6.046000  
1 1 1 22 28 10 o 23.67000 2.499000  5.495000       4.998000  
1 1 1 22 28 12 o 26.64000 1.952000  -0.7692000     3.904000  
1 1 1 22 28 14 o 8.735000 2.607000  1.483000       5.214000  
1 1 1 22 28 16 o 30.16000 1.712000  -0.8646000     3.423000  
1 1 1 22 28 18 o 63.32000 1.511000  1.811000       3.022000  
1 1 1 22 28 20 o 32.61000 3.413000  1.335000       6.826000  
1 1 1 22 28 22 o 12.28000 2.507000  3.269000       5.013000  
1 1 1 22 28 24 o 12.22000 2.684000  -0.6464000     5.369000  
1 1 1 22 28 26 o 10.55000 2.812000  -3.552000      5.624000  
1 1 1 22 28 28 o 11.21000 4.962000  ?              ?         
1 1 1 22 29 1  o 9.971000 3.059000  6.065000       6.117000  
1 1 1 22 29 3  o 35.40000 2.559000  3.967000       5.119000  
1 1 1 22 29 5  o 53.58000 1.545000  2.483000       3.091000  
1 1 1 22 29 7  o 8.079000 2.553000  1.289000       5.107000  
1 1 1 22 29 9  o 38.70000 1.638000  2.255000       3.276000  
1 1 1 22 29 11 o 50.18000 1.421000  4.298000       2.842000  
1 1 1 22 29 13 o 26.32000 1.824000  -0.5156000     3.649000  
1 1 1 22 29 15 o 50.21000 1.365000  0.5582000      2.731000  
1 1 1 22 29 17 o 55.09000 1.484000  1.618000       2.968000  
1 1 1 22 29 19 o 22.63000 2.153000  1.706000       4.305000  
1 1 1 22 29 21 o 29.33000 3.556000  -4.410000      7.112000  
1 1 1 22 29 23 o 8.304000 2.463000  3.173000       4.926000  
1 1 1 22 29 25 o 33.89000 1.986000  ?              ?         
1 1 1 22 30 0  o 25.33000 3.474000  0.000000       0.000000  
1 1 1 22 30 2  o 26.01000 2.659000  6.577000       5.318000  
1 1 1 22 30 4  o 48.26000 1.395000  -0.2189000     2.790000  
1 1 1 22 30 6  f 14.13000 3.090000  2.525000       6.180000  
1 1 1 22 30 8  o 35.96000 1.745000  1.622000       3.490000  
1 1 1 22 30 10 o 41.13000 1.547000  -2.321000      3.093000  
1 1 1 22 30 12 f 36.21000 1.596000  2.555000       3.192000  
1 1 1 22 30 14 o 22.16000 2.671000  -2.641000      5.342000  
1 1 1 22 30 16 o 10.84000 2.763000  0.6626000      5.526000  
1 1 1 22 30 18 o 32.60000 1.733000  -0.6773000     3.465000  
1 1 1 22 30 20 o 18.50000 2.658000  -0.8384000     5.316000  
1 1 1 22 30 22 o 18.97000 2.374000  -8.189000      4.747000  
1 1 1 22 30 24 o 39.09000 1.894000  1.396000       3.789000  
1 1 1 22 31 1  o 39.70000 1.763000  0.3544000      3.526000  
1 1 1 22 31 3  o 14.53000 3.200000  -2.633000      6.400000  
1 1 1 22 31 5  o 10.92000 3.076000  -1.355000      6.152000  
1 1 1 22 31 7  o 13.19000 3.111000  0.5107000      6.222000  
1 1 1 22 31 9  o 9.612000 2.811000  0.9597000      5.621000  
1 1 1 22 31 11 o 27.42000 2.074000  2.802000       4.148000  
1 1 1 22 31 13 o 18.13000 3.260000  -8.502000      6.520000  
1 1 1 22 31 15 o 12.66000 2.694000  -4.968000      5.388000  
1 1 1 22 31 17 o 22.99000 2.114000  0.3860000      4.229000  
1 1 1 22 31 19 o 47.44000 1.518000  0.1602000      3.036000  
1 1 1 22 31 21 o 31.58000 2.042000  -4.071000      4.084000  
1 1 1 22 31 23 o 20.64000 2.842000  ?              ?         
1 1 1 22 32 0  o 14.05000 4.252000  0.000000       0.000000  
1 1 1 22 32 2  o 13.77000 3.341000  -1.385000      6.681000  
1 1 1 22 32 4  o 17.53000 3.038000  1.876000       6.077000  
1 1 1 22 32 6  o 11.54000 3.104000  0.1197000      6.208000  
1 1 1 22 32 8  o 32.47000 1.679000  -0.3457000     3.358000  
1 1 1 22 32 10 o 10.22000 2.860000  1.521000       5.721000  
1 1 1 22 32 12 o 19.36000 2.601000  0.7940000      5.202000  
1 1 1 22 32 14 o 10.16000 2.923000  2.576000       5.847000  
1 1 1 22 32 16 o 21.69000 2.655000  -1.234000      5.309000  
1 1 1 22 32 18 o 8.768000 2.686000  1.267000       5.372000  
1 1 1 22 32 20 o 16.71000 3.277000  15.78000       6.553000  
1 1 1 22 32 22 o 7.650000 2.628000  3.383000       5.256000  
1 1 1 22 33 1  o 8.319000 2.665000  -0.5259000     5.331000  
1 1 1 22 33 3  o 23.22000 2.542000  0.5442000      5.083000  
1 1 1 22 33 5  o 22.46000 2.498000  -2.368000      4.995000  
1 1 1 22 33 7  o 22.12000 2.592000  -1.385000      5.183000  
1 1 1 22 33 9  o 14.76000 3.689000  -1.291000      7.378000  
1 1 1 22 33 11 o 15.33000 2.940000  0.6111000      5.880000  
1 1 1 22 33 13 o 15.39000 2.843000  0.1551000      5.686000  
1 1 1 22 33 15 o 20.00000 2.904000  -6.686000      5.807000  
1 1 1 22 33 17 o 7.021000 2.444000  2.442000       4.889000  
1 1 1 22 33 19 o 29.73000 1.934000  -6.092000      3.867000  
1 1 1 22 34 0  o 11.34000 4.456000  0.000000       0.000000  
1 1 1 22 34 2  o 12.74000 3.257000  0.4823000      6.515000  
1 1 1 22 34 4  o 15.85000 3.452000  1.506000       6.904000  
1 1 1 22 34 6  o 16.57000 3.186000  0.7970000      6.372000  
1 1 1 22 34 8  o 13.53000 3.320000  -0.1871000     6.640000  
1 1 1 22 34 10 o 21.99000 3.135000  -2.202000      6.270000  
1 1 1 22 34 12 f 13.66000 3.494000  -3.958000      6.988000  
1 1 1 22 34 14 o 16.72000 2.909000  -7.052000      5.817000  
1 1 1 22 34 16 o 10.46000 2.611000  -6.516000      5.223000  
1 1 1 22 34 18 o 10.30000 3.040000  8.192000       6.081000  
1 1 1 22 35 1  o 53.29000 1.443000  -0.3987000     2.885000  
1 1 1 22 35 3  o 19.88000 2.861000  -2.500000      5.723000  
1 1 1 22 35 5  o 9.495000 3.037000  2.997000       6.074000  
1 1 1 22 35 7  o 11.86000 3.262000  1.431000       6.524000  
1 1 1 22 35 9  o 15.58000 3.473000  -1.563000      6.946000  
1 1 1 22 35 11 o 20.29000 3.614000  4.584000       7.227000  
1 1 1 22 35 13 o 7.987000 2.452000  -1.420000      4.904000  
1 1 1 22 35 15 o 40.41000 2.092000  6.531000       4.184000  
1 1 1 22 36 0  o 7.847000 3.740000  0.000000       0.000000  
1 1 1 22 36 2  o 14.76000 3.351000  2.403000       6.701000  
1 1 1 22 36 4  o 8.812000 2.859000  0.5922000E-01  5.718000  
1 1 1 22 36 6  o 10.45000 3.225000  -0.5279000     6.451000  
1 1 1 22 36 8  o 11.42000 3.638000  -0.7049000     7.276000  
1 1 1 22 36 10 o 16.70000 3.368000  -1.049000      6.735000  
1 1 1 22 36 12 f 31.32000 2.055000  -3.862000      4.110000  
1 1 1 22 36 14 o 14.01000 3.852000  -0.1251000     7.704000  
1 1 1 22 37 1  o 12.85000 2.811000  6.163000       5.621000  
1 1 1 22 37 3  o 13.30000 3.105000  -5.164000      6.210000  
1 1 1 22 37 5  o 28.30000 1.995000  -2.324000      3.989000  
1 1 1 22 37 7  f 33.92000 1.812000  -3.221000      3.625000  
1 1 1 22 37 9  o 6.935000 2.356000  -0.5271000     4.712000  
1 1 1 22 37 11 o 13.80000 3.505000  ?              ?         
1 1 1 22 38 0  o 8.125000 3.672000  0.000000       0.000000  
1 1 1 22 38 2  o 8.115000 2.609000  0.5632000      5.218000  
1 1 1 22 38 4  o 10.77000 2.884000  -1.363000      5.767000  
1 1 1 23 0  1  o 7.654000 2.332000  0.000000       0.000000  
1 1 1 23 0  3  o 14.93000 1.471000  0.000000       0.000000  
1 1 1 23 0  5  o 6.050000 2.380000  0.000000       0.000000  
1 1 1 23 0  7  o 6.883000 2.628000  0.000000       0.000000  
1 1 1 23 0  9  o 33.27000 0.9414000 0.000000       0.000000  
1 1 1 23 0  11 o 34.46000 0.9056000 0.000000       0.000000  
1 1 1 23 0  13 o 18.27000 1.440000  0.000000       0.000000  
1 1 1 23 0  15 o 24.85000 1.207000  0.000000       0.000000  
1 1 1 23 0  17 o 39.90000 0.9902000 0.000000       0.000000  
1 1 1 23 0  19 o 31.61000 0.9864000 0.000000       0.000000  
1 1 1 23 0  21 o 38.64000 1.612000  0.000000       0.000000  
1 1 1 23 0  23 o 7.416000 2.779000  0.000000       0.000000  
1 1 1 23 0  25 o 9.427000 3.281000  0.000000       0.000000  
1 1 1 23 0  27 o 16.52000 5.203000  0.000000       0.000000  
1 1 1 23 0  29 f 7.425000 3.337000  0.000000       0.000000  
1 1 1 23 0  31 o 8.768000 3.019000  0.000000       0.000000  
1 1 1 23 0  33 o 20.10000 1.781000  0.000000       0.000000  
1 1 1 23 0  35 o 8.769000 2.996000  0.000000       0.000000  
1 1 1 23 0  37 f 13.88000 2.568000  0.000000       0.000000  
1 1 1 23 0  39 o 18.59000 2.848000  0.000000       0.000000  
1 1 1 23 1  0  o 56.74000 1.163000  0.000000       0.000000  
1 1 1 23 1  2  o 11.59000 1.270000  0.5180000      2.541000  
1 1 1 23 1  4  o 67.99000 0.9387000 -0.1509000     1.877000  
1 1 1 23 1  6  o 39.52000 0.8068000 -1.212000      1.614000  
1 1 1 23 1  8  o 29.14000 0.6861000 -0.9841000E-01 1.372000  
1 1 1 23 1  10 o 90.97000 1.301000  1.127000       2.602000  
1 1 1 23 1  12 o 17.52000 1.025000  -1.418000      2.050000  
1 1 1 23 1  14 o 68.82000 1.106000  -2.351000      2.212000  
1 1 1 23 1  16 o 20.50000 0.9166000 -0.4732000     1.833000  
1 1 1 23 1  18 o 27.94000 0.8804000 0.1012000      1.761000  
1 1 1 23 1  20 o 44.78000 0.8255000 2.426000       1.651000  
1 1 1 23 1  22 o 10.82000 1.741000  -0.5058000     3.483000  
1 1 1 23 1  24 o 37.15000 0.9953000 0.3973000      1.991000  
1 1 1 23 1  26 o 28.15000 1.233000  0.7942000      2.466000  
1 1 1 23 1  28 o 95.58000 2.649000  -12.21000      5.298000  
1 1 1 23 1  30 o 34.42000 1.496000  3.733000       2.992000  
1 1 1 23 1  32 o 23.96000 1.369000  -0.6656000     2.737000  
1 1 1 23 1  34 o 41.75000 0.9624000 -0.8766000     1.925000  
1 1 1 23 1  36 o 27.24000 1.046000  -1.383000      2.092000  
1 1 1 23 1  38 o 13.69000 2.416000  -2.897000      4.833000  
1 1 1 23 1  40 o 11.08000 3.190000  0.3582000E-01  6.379000  
1 1 1 23 2  1  o 28.71000 0.7000000 0.2229000      1.400000  
1 1 1 23 2  3  o 51.33000 0.7691000 -0.4646000     1.538000  
1 1 1 23 2  5  o 79.50000 1.067000  0.1969000      2.135000  
1 1 1 23 2  7  o 87.25000 1.160000  1.304000       2.320000  
1 1 1 23 2  9  o 20.20000 0.7606000 0.8254000      1.521000  
1 1 1 23 2  11 o 34.55000 0.7511000 0.1525000      1.502000  
1 1 1 23 2  13 f 5.381000 1.615000  -0.8602000     3.229000  
1 1 1 23 2  15 o 53.29000 0.8573000 2.665000       1.715000  
1 1 1 23 2  17 o 54.41000 0.9552000 0.2176000      1.910000  
1 1 1 23 2  19 o 43.67000 0.8749000 -2.536000      1.750000  
1 1 1 23 2  21 o 40.91000 0.8598000 -1.146000      1.720000  
1 1 1 23 2  23 f 18.09000 1.043000  0.4086000      2.087000  
1 1 1 23 2  25 o 47.67000 0.8920000 -0.1343000     1.784000  
1 1 1 23 2  27 o 25.63000 1.256000  2.046000       2.513000  
1 1 1 23 2  29 o 31.78000 2.627000  -4.029000      5.254000  
1 1 1 23 2  31 o 28.71000 1.216000  1.023000       2.432000  
1 1 1 23 2  33 o 41.72000 1.142000  1.627000       2.284000  
1 1 1 23 2  35 f 18.52000 1.573000  2.394000       3.147000  
1 1 1 23 2  37 o 9.428000 2.352000  2.715000       4.704000  
1 1 1 23 2  39 f 17.20000 3.175000  -4.049000      6.350000  
1 1 1 23 3  0  o 40.75000 0.9749000 0.000000       0.000000  
1 1 1 23 3  2  o 17.04000 0.9321000 -1.132000      1.864000  
1 1 1 23 3  4  o 37.57000 0.6920000 0.2531000      1.384000  
1 1 1 23 3  6  o 61.19000 0.8693000 -0.6690000     1.739000  
1 1 1 23 3  8  o 86.41000 1.329000  -0.5544000E-01 2.657000  
1 1 1 23 3  10 o 50.22000 0.8351000 -0.3360000     1.670000  
1 1 1 23 3  12 o 21.31000 0.9061000 0.9902000      1.812000  
1 1 1 23 3  14 o 16.68000 0.9796000 1.242000       1.959000  
1 1 1 23 3  16 o 21.37000 1.001000  -0.1371000     2.003000  
1 1 1 23 3  18 o 38.43000 0.8556000 -1.072000      1.711000  
1 1 1 23 3  20 o 39.77000 0.7972000 -1.873000      1.594000  
1 1 1 23 3  22 o 31.48000 0.7794000 -1.533000      1.559000  
1 1 1 23 3  24 o 38.29000 0.8767000 -1.765000      1.753000  
1 1 1 23 3  26 o 44.52000 1.053000  1.224000       2.106000  
1 1 1 23 3  28 o 38.30000 1.207000  5.948000       2.414000  
1 1 1 23 3  30 o 29.49000 1.326000  1.921000       2.652000  
1 1 1 23 3  32 o 40.42000 0.9583000 0.1966000      1.917000  
1 1 1 23 3  34 o 19.05000 1.320000  1.507000       2.641000  
1 1 1 23 3  36 o 19.11000 1.300000  0.8379000      2.599000  
1 1 1 23 3  38 o 6.028000 1.901000  -0.7719000     3.801000  
1 1 1 23 4  1  o 89.30000 1.183000  -0.7721000     2.366000  
1 1 1 23 4  3  o 84.49000 1.125000  -0.1065000     2.251000  
1 1 1 23 4  5  o 38.17000 0.7424000 0.1724000      1.485000  
1 1 1 23 4  7  f 84.03000 1.162000  -0.6325000E-01 2.324000  
1 1 1 23 4  9  o 55.17000 0.8891000 0.5039000E-01  1.778000  
1 1 1 23 4  11 f 33.54000 0.7642000 0.1601000E-01  1.528000  
1 1 1 23 4  13 o 21.04000 0.8392000 1.598000       1.678000  
1 1 1 23 4  15 o 67.64000 1.121000  -0.6149000     2.242000  
1 1 1 23 4  17 o 9.378000 1.790000  -0.2350000     3.579000  
1 1 1 23 4  19 o 44.65000 0.7582000 -2.000000      1.516000  
1 1 1 23 4  21 o 24.41000 0.7989000 -0.2105000     1.598000  
1 1 1 23 4  23 o 33.14000 0.8254000 -1.873000      1.651000  
1 1 1 23 4  25 o 12.31000 1.630000  -1.337000      3.260000  
1 1 1 23 4  27 o 10.10000 2.573000  2.864000       5.145000  
1 1 1 23 4  29 o 50.31000 1.355000  0.9590000      2.709000  
1 1 1 23 4  31 o 25.32000 1.129000  2.188000       2.257000  
1 1 1 23 4  33 o 6.594000 1.959000  -0.7098000     3.918000  
1 1 1 23 4  35 o 10.13000 2.108000  0.8129000      4.216000  
1 1 1 23 4  37 o 7.532000 2.110000  0.7980000      4.219000  
1 1 1 23 4  39 o 42.28000 1.665000  3.532000       3.330000  
1 1 1 23 5  0  o 28.27000 0.9828000 0.000000       0.000000  
1 1 1 23 5  2  o 37.60000 0.6933000 -0.6908000E-01 1.387000  
1 1 1 23 5  4  o 42.70000 0.7481000 -0.9948000     1.496000  
1 1 1 23 5  6  o 81.85000 1.139000  -0.4558000     2.277000  
1 1 1 23 5  8  o 84.60000 1.228000  -3.481000      2.455000  
1 1 1 23 5  10 o 39.67000 0.7727000 -1.634000      1.545000  
1 1 1 23 5  12 o 16.79000 0.9734000 -0.9349000E-01 1.947000  
1 1 1 23 5  14 o 32.81000 0.8382000 -1.364000      1.676000  
1 1 1 23 5  16 o 35.90000 0.8688000 -1.301000      1.738000  
1 1 1 23 5  18 o 28.07000 0.7630000 -1.195000      1.526000  
1 1 1 23 5  20 o 31.43000 0.7284000 0.9210000      1.457000  
1 1 1 23 5  22 o 27.54000 0.8111000 -0.4719000     1.622000  
1 1 1 23 5  24 o 10.82000 1.740000  0.3506000      3.481000  
1 1 1 23 5  26 o 44.58000 1.055000  -3.265000      2.110000  
1 1 1 23 5  28 o 25.63000 2.408000  -13.17000      4.817000  
1 1 1 23 5  30 f 7.016000 2.154000  -1.499000      4.309000  
1 1 1 23 5  32 o 32.20000 1.002000  2.006000       2.004000  
1 1 1 23 5  34 o 17.64000 1.379000  0.7458000      2.759000  
1 1 1 23 5  36 o 11.10000 2.190000  -1.102000      4.380000  
1 1 1 23 5  38 o 6.130000 1.947000  -0.7178000     3.893000  
1 1 1 23 6  1  o 54.28000 0.8011000 0.4803000      1.602000  
1 1 1 23 6  3  o 40.56000 0.7832000 0.8222000      1.566000  
1 1 1 23 6  5  o 46.36000 0.7719000 0.3080000      1.544000  
1 1 1 23 6  7  o 49.61000 0.7965000 -0.3070000     1.593000  
1 1 1 23 6  9  o 58.49000 1.118000  -1.527000      2.237000  
1 1 1 23 6  11 o 57.56000 0.9128000 -3.623000      1.826000  
1 1 1 23 6  13 o 33.97000 0.8252000 -2.271000      1.650000  
1 1 1 23 6  15 o 31.43000 0.8751000 -0.1623000     1.750000  
1 1 1 23 6  17 o 53.44000 0.8439000 -0.1881000     1.688000  
1 1 1 23 6  19 o 25.40000 0.7970000 -1.942000      1.594000  
1 1 1 23 6  21 o 46.71000 0.8294000 0.9816000      1.659000  
1 1 1 23 6  23 o 35.45000 0.7720000 -2.121000      1.544000  
1 1 1 23 6  25 o 46.29000 1.008000  1.556000       2.016000  
1 1 1 23 6  27 o 21.23000 1.451000  2.098000       2.901000  
1 1 1 23 6  29 o 24.40000 1.574000  -1.204000      3.148000  
1 1 1 23 6  31 o 11.77000 2.244000  -2.280000      4.489000  
1 1 1 23 6  33 o 40.99000 0.9518000 3.172000       1.904000  
1 1 1 23 6  35 o 25.79000 1.111000  1.948000       2.222000  
1 1 1 23 6  37 o 18.87000 1.577000  4.286000       3.154000  
1 1 1 23 6  39 o 16.78000 2.901000  13.10000       5.801000  
1 1 1 23 7  0  o 92.67000 1.733000  0.000000       0.000000  
1 1 1 23 7  2  o 50.09000 0.8133000 0.3589000      1.627000  
1 1 1 23 7  4  o 22.80000 0.8254000 0.3435000      1.651000  
1 1 1 23 7  6  o 46.51000 0.7757000 -0.1422000     1.551000  
1 1 1 23 7  8  o 51.53000 0.8585000 -0.5035000     1.717000  
1 1 1 23 7  10 o 18.63000 0.9957000 1.708000       1.991000  
1 1 1 23 7  12 o 52.94000 0.8229000 1.924000       1.646000  
1 1 1 23 7  14 o 50.54000 0.9246000 -0.4939000     1.849000  
1 1 1 23 7  16 o 47.98000 0.9226000 2.248000       1.845000  
1 1 1 23 7  18 o 25.43000 0.8315000 2.267000       1.663000  
1 1 1 23 7  20 o 23.58000 0.8293000 0.8485000      1.659000  
1 1 1 23 7  22 o 43.17000 0.8109000 -0.2453000     1.622000  
1 1 1 23 7  24 o 72.62000 1.238000  1.753000       2.476000  
1 1 1 23 7  26 o 31.86000 1.045000  2.357000       2.089000  
1 1 1 23 7  28 o 21.57000 1.726000  2.280000       3.451000  
1 1 1 23 7  30 o 12.38000 2.248000  0.4118000      4.497000  
1 1 1 23 7  32 o 9.090000 2.187000  0.1291000      4.373000  
1 1 1 23 7  34 o 9.675000 2.182000  -0.4252000     4.365000  
1 1 1 23 7  36 o 16.56000 1.722000  6.043000       3.444000  
1 1 1 23 7  38 o 23.62000 1.595000  3.739000       3.191000  
1 1 1 23 8  1  o 52.50000 0.8882000 -0.5305000E-01 1.776000  
1 1 1 23 8  3  o 51.89000 0.9598000 -2.023000      1.920000  
1 1 1 23 8  5  o 81.85000 1.144000  -1.683000      2.289000  
1 1 1 23 8  7  o 46.58000 0.7862000 -1.838000      1.572000  
1 1 1 23 8  9  f 67.12000 1.015000  0.2563000      2.030000  
1 1 1 23 8  11 o 16.95000 1.093000  0.4993000      2.186000  
1 1 1 23 8  13 o 51.02000 0.9276000 -1.004000      1.855000  
1 1 1 23 8  15 o 34.92000 0.8633000 -0.7252000     1.727000  
1 1 1 23 8  17 o 17.32000 1.046000  1.205000       2.092000  
1 1 1 23 8  19 o 16.29000 1.114000  0.2170000      2.227000  
1 1 1 23 8  21 o 18.67000 1.076000  0.4589000      2.151000  
1 1 1 23 8  23 o 32.78000 0.9067000 -0.2351000     1.813000  
1 1 1 23 8  25 o 46.00000 1.209000  3.514000       2.418000  
1 1 1 23 8  27 o 73.34000 1.150000  1.154000       2.300000  
1 1 1 23 8  29 o 19.19000 1.699000  -0.8930000     3.398000  
1 1 1 23 8  31 o 44.77000 0.9381000 1.067000       1.876000  
1 1 1 23 8  33 o 45.35000 0.9914000 -2.291000      1.983000  
1 1 1 23 8  35 o 25.33000 1.498000  -1.665000      2.997000  
1 1 1 23 8  37 o 6.373000 1.970000  -0.3561000     3.939000  
1 1 1 23 8  39 o 9.809000 4.368000  ?              ?         
1 1 1 23 9  0  o 69.51000 1.381000  0.000000       0.000000  
1 1 1 23 9  2  o 48.75000 0.8199000 0.3099000      1.640000  
1 1 1 23 9  4  o 23.04000 0.8618000 -1.433000      1.724000  
1 1 1 23 9  6  o 20.72000 0.9237000 0.3574000      1.847000  
1 1 1 23 9  8  o 18.47000 1.016000  -0.1317000     2.031000  
1 1 1 23 9  10 o 46.37000 0.8229000 -1.040000      1.646000  
1 1 1 23 9  12 o 17.50000 1.023000  -0.9302000     2.047000  
1 1 1 23 9  14 o 18.55000 1.216000  0.7136000      2.432000  
1 1 1 23 9  16 o 25.10000 0.8283000 0.5074000      1.657000  
1 1 1 23 9  18 o 29.30000 0.7896000 0.2546000      1.579000  
1 1 1 23 9  20 o 36.91000 0.7835000 -0.1629000     1.567000  
1 1 1 23 9  22 o 19.58000 1.036000  2.934000       2.071000  
1 1 1 23 9  24 o 44.22000 1.307000  -1.111000      2.615000  
1 1 1 23 9  26 o 30.76000 1.083000  2.370000       2.166000  
1 1 1 23 9  28 o 17.87000 1.971000  -0.6876000     3.943000  
1 1 1 23 9  30 o 7.604000 2.186000  0.3583000      4.373000  
1 1 1 23 9  32 o 47.35000 0.9363000 1.863000       1.873000  
1 1 1 23 9  34 o 35.71000 0.9817000 0.1854000      1.963000  
1 1 1 23 9  36 o 26.69000 1.258000  1.150000       2.515000  
1 1 1 23 9  38 o 23.86000 3.736000  3.171000       7.473000  
1 1 1 23 10 1  o 48.57000 0.7857000 -0.5142000     1.571000  
1 1 1 23 10 3  o 63.63000 0.9098000 0.7602000      1.820000  
1 1 1 23 10 5  o 44.85000 0.7578000 -0.2578000     1.516000  
1 1 1 23 10 7  o 63.29000 0.9345000 -0.8435000     1.869000  
1 1 1 23 10 9  o 47.55000 0.8329000 -1.470000      1.666000  
1 1 1 23 10 11 o 59.82000 1.160000  1.141000       2.319000  
1 1 1 23 10 13 o 19.52000 1.140000  1.948000       2.279000  
1 1 1 23 10 15 o 13.94000 1.517000  -1.205000      3.034000  
1 1 1 23 10 17 o 40.13000 0.7854000 -0.6179000     1.571000  
1 1 1 23 10 19 o 40.10000 0.7942000 0.5920000      1.588000  
1 1 1 23 10 21 o 23.28000 0.9431000 -0.1563000     1.886000  
1 1 1 23 10 23 o 14.04000 2.065000  3.398000       4.129000  
1 1 1 23 10 25 o 9.842000 2.303000  -2.036000      4.605000  
1 1 1 23 10 27 o 18.33000 2.132000  -5.834000      4.264000  
1 1 1 23 10 29 o 15.47000 1.831000  -0.8677000     3.661000  
1 1 1 23 10 31 o 37.85000 0.8924000 2.050000       1.785000  
1 1 1 23 10 33 f 11.72000 2.409000  0.8969000      4.819000  
1 1 1 23 10 35 o 27.97000 1.246000  3.870000       2.491000  
1 1 1 23 10 37 o 22.29000 4.722000  -1.878000      9.443000  
1 1 1 23 11 0  o 38.36000 1.080000  0.000000       0.000000  
1 1 1 23 11 2  o 29.75000 0.7828000 -2.672000      1.566000  
1 1 1 23 11 4  o 80.30000 1.092000  1.534000       2.183000  
1 1 1 23 11 6  o 62.27000 0.8990000 0.6904000      1.798000  
1 1 1 23 11 8  o 37.09000 0.8183000 0.9655000E-01  1.637000  
1 1 1 23 11 10 o 72.26000 1.166000  1.029000       2.332000  
1 1 1 23 11 12 o 55.73000 0.8913000 2.641000       1.783000  
1 1 1 23 11 14 o 6.614000 1.867000  -0.9057000     3.734000  
1 1 1 23 11 16 o 18.22000 1.098000  2.715000       2.196000  
1 1 1 23 11 18 o 17.27000 1.154000  1.840000       2.307000  
1 1 1 23 11 20 o 23.58000 0.9340000 -0.1465000     1.868000  
1 1 1 23 11 22 o 31.29000 1.252000  2.111000       2.504000  
1 1 1 23 11 24 o 15.64000 1.999000  4.946000       3.998000  
1 1 1 23 11 26 o 31.22000 1.194000  -1.693000      2.388000  
1 1 1 23 11 28 o 34.16000 1.231000  1.756000       2.463000  
1 1 1 23 11 30 o 33.94000 1.047000  -1.657000      2.094000  
1 1 1 23 11 32 o 17.66000 1.531000  1.354000       3.062000  
1 1 1 23 11 34 o 17.23000 1.748000  -1.138000      3.497000  
1 1 1 23 11 36 o 39.75000 1.246000  1.568000       2.493000  
1 1 1 23 11 38 o 9.052000 2.848000  -0.2349000     5.696000  
1 1 1 23 12 1  o 27.01000 0.8910000 -0.4571000     1.782000  
1 1 1 23 12 3  o 10.70000 1.646000  0.4475000      3.292000  
1 1 1 23 12 5  o 7.184000 1.861000  -0.2267000     3.723000  
1 1 1 23 12 7  o 58.59000 0.8647000 0.1916000      1.729000  
1 1 1 23 12 9  o 55.12000 0.9145000 -0.1291000     1.829000  
1 1 1 23 12 11 o 49.46000 0.8874000 0.4080000      1.775000  
1 1 1 23 12 13 o 45.87000 0.9140000 0.3674000      1.828000  
1 1 1 23 12 15 o 29.89000 0.9344000 0.8913000      1.869000  
1 1 1 23 12 17 o 33.82000 0.8002000 -3.578000      1.600000  
1 1 1 23 12 19 o 42.89000 0.8314000 -0.1167000     1.663000  
1 1 1 23 12 21 o 8.730000 2.200000  -0.5960000E-01 4.401000  
1 1 1 23 12 23 o 18.09000 1.714000  -1.452000      3.428000  
1 1 1 23 12 25 o 41.36000 1.286000  -0.1348000     2.573000  
1 1 1 23 12 27 o 55.16000 2.240000  -4.712000      4.480000  
1 1 1 23 12 29 o 8.214000 2.063000  -0.6566000     4.126000  
1 1 1 23 12 31 o 13.41000 1.866000  -1.394000      3.732000  
1 1 1 23 12 33 o 7.986000 2.214000  3.541000       4.429000  
1 1 1 23 12 35 o 16.04000 1.931000  1.715000       3.861000  
1 1 1 23 12 37 o 43.33000 1.238000  5.182000       2.476000  
1 1 1 23 13 0  o 83.81000 1.618000  0.000000       0.000000  
1 1 1 23 13 2  o 37.12000 0.7643000 2.254000       1.529000  
1 1 1 23 13 4  o 44.46000 0.7856000 -1.376000      1.571000  
1 1 1 23 13 6  o 80.65000 1.104000  2.970000       2.207000  
1 1 1 23 13 8  o 53.63000 0.8488000 2.760000       1.698000  
1 1 1 23 13 10 o 44.76000 0.8918000 0.7322000      1.784000  
1 1 1 23 13 12 f 36.40000 1.855000  -0.3666000     3.709000  
1 1 1 23 13 14 o 8.599000 1.937000  -2.890000      3.875000  
1 1 1 23 13 16 o 33.49000 0.9098000 -1.354000      1.820000  
1 1 1 23 13 18 o 52.57000 0.9065000 0.2241000      1.813000  
1 1 1 23 13 20 o 15.79000 2.326000  1.102000       4.652000  
1 1 1 23 13 22 o 41.04000 1.136000  1.687000       2.272000  
1 1 1 23 13 24 o 33.06000 1.103000  -0.2959000     2.207000  
1 1 1 23 13 26 o 9.974000 2.431000  -3.838000      4.862000  
1 1 1 23 13 28 o 25.91000 3.417000  -2.941000      6.833000  
1 1 1 23 13 30 o 19.93000 1.467000  -3.358000      2.934000  
1 1 1 23 13 32 o 19.33000 1.466000  0.5278000E-01  2.932000  
1 1 1 23 13 34 o 16.02000 2.152000  5.230000       4.304000  
1 1 1 23 13 36 o 24.09000 1.891000  8.544000       3.782000  
1 1 1 23 14 1  o 35.91000 0.7764000 1.078000       1.553000  
1 1 1 23 14 3  o 64.15000 0.9300000 1.184000       1.860000  
1 1 1 23 14 5  o 22.64000 0.8964000 -2.615000      1.793000  
1 1 1 23 14 7  o 48.33000 0.8213000 1.375000       1.643000  
1 1 1 23 14 9  o 42.96000 0.7972000 1.596000       1.594000  
1 1 1 23 14 11 o 20.51000 1.162000  0.5322000      2.324000  
1 1 1 23 14 13 o 21.65000 0.9641000 -3.616000      1.928000  
1 1 1 23 14 15 o 22.78000 0.9890000 -1.163000      1.978000  
1 1 1 23 14 17 o 66.87000 1.049000  2.600000       2.098000  
1 1 1 23 14 19 o 27.80000 1.948000  3.669000       3.897000  
1 1 1 23 14 21 o 76.68000 1.248000  1.019000       2.497000  
1 1 1 23 14 23 o 10.29000 2.225000  4.052000       4.450000  
1 1 1 23 14 25 o 61.77000 1.479000  0.3730000      2.957000  
1 1 1 23 14 27 o 12.25000 2.095000  -3.324000      4.190000  
1 1 1 23 14 29 o 28.62000 1.168000  0.2079000      2.337000  
1 1 1 23 14 31 o 35.56000 1.081000  1.009000       2.162000  
1 1 1 23 14 33 o 10.88000 2.275000  3.972000       4.550000  
1 1 1 23 14 35 o 8.088000 2.328000  -0.6452000     4.655000  
1 1 1 23 14 37 o 10.57000 5.025000  ?              ?         
1 1 1 23 15 0  o 40.62000 1.180000  0.000000       0.000000  
1 1 1 23 15 2  o 16.80000 1.216000  1.475000       2.433000  
1 1 1 23 15 4  o 32.93000 0.8135000 -0.6504000     1.627000  
1 1 1 23 15 6  o 80.75000 1.118000  1.128000       2.236000  
1 1 1 23 15 8  o 39.78000 0.8093000 -0.6846000     1.619000  
1 1 1 23 15 10 o 23.50000 0.9213000 0.1981000      1.843000  
1 1 1 23 15 12 o 47.39000 0.9638000 -0.1539000     1.928000  
1 1 1 23 15 14 o 30.40000 0.8529000 -1.237000      1.706000  
1 1 1 23 15 16 o 14.68000 1.412000  -1.479000      2.824000  
1 1 1 23 15 18 o 52.99000 1.089000  -1.897000      2.179000  
1 1 1 23 15 20 o 21.38000 1.440000  -3.403000      2.881000  
1 1 1 23 15 22 o 7.141000 2.266000  -2.731000      4.532000  
1 1 1 23 15 24 o 26.84000 1.549000  1.632000       3.099000  
1 1 1 23 15 26 o 28.66000 1.190000  -1.652000      2.381000  
1 1 1 23 15 28 o 44.52000 0.9560000 0.6529000      1.912000  
1 1 1 23 15 30 o 20.18000 1.368000  -2.343000      2.736000  
1 1 1 23 15 32 o 21.67000 1.544000  1.556000       3.089000  
1 1 1 23 15 34 o 37.66000 1.167000  1.218000       2.333000  
1 1 1 23 15 36 o 16.24000 2.818000  11.34000       5.637000  
1 1 1 23 16 1  o 9.766000 2.056000  1.890000       4.113000  
1 1 1 23 16 3  o 41.53000 0.8283000 -0.5286000     1.657000  
1 1 1 23 16 5  o 30.54000 0.8448000 1.338000       1.690000  
1 1 1 23 16 7  o 40.56000 0.8233000 1.615000       1.647000  
1 1 1 23 16 9  o 32.70000 0.8342000 -0.7406000     1.668000  
1 1 1 23 16 11 o 28.79000 0.8549000 -1.845000      1.710000  
1 1 1 23 16 13 o 19.55000 1.383000  -6.681000      2.766000  
1 1 1 23 16 15 o 24.49000 1.270000  -0.2257000     2.540000  
1 1 1 23 16 17 o 27.49000 1.202000  -0.7592000     2.404000  
1 1 1 23 16 19 o 15.17000 1.847000  1.374000       3.693000  
1 1 1 23 16 21 f 45.40000 1.254000  -2.589000      2.507000  
1 1 1 23 16 23 o 18.12000 2.443000  -6.142000      4.886000  
1 1 1 23 16 25 o 49.39000 1.300000  -0.4540000     2.600000  
1 1 1 23 16 27 o 14.70000 1.728000  0.9058000      3.457000  
1 1 1 23 16 29 o 19.70000 1.230000  0.5928000      2.461000  
1 1 1 23 16 31 o 13.31000 2.002000  3.398000       4.004000  
1 1 1 23 16 33 o 8.706000 2.226000  -1.061000      4.452000  
1 1 1 23 16 35 o 27.42000 1.700000  -5.569000      3.399000  
1 1 1 23 17 0  o 51.95000 1.237000  0.000000       0.000000  
1 1 1 23 17 2  o 56.23000 0.9468000 1.104000       1.894000  
1 1 1 23 17 4  o 31.47000 0.8868000 1.084000       1.774000  
1 1 1 23 17 6  o 40.35000 0.8409000 -1.341000      1.682000  
1 1 1 23 17 8  o 38.65000 0.8158000 -0.8597000     1.632000  
1 1 1 23 17 10 o 46.87000 0.8537000 1.008000       1.707000  
1 1 1 23 17 12 o 42.64000 1.017000  4.039000       2.033000  
1 1 1 23 17 14 o 39.47000 1.422000  ?              ?         
1 1 1 23 17 16 o 25.54000 1.328000  -0.6904000     2.655000  
1 1 1 23 17 18 f 50.57000 1.141000  -1.168000      2.282000  
1 1 1 23 17 20 o 41.95000 1.253000  0.7500000      2.507000  
1 1 1 23 17 22 o 29.56000 1.918000  -1.496000      3.836000  
1 1 1 23 17 24 o 17.91000 2.086000  0.7533000      4.171000  
1 1 1 23 17 26 o 36.89000 1.092000  -0.3739000     2.183000  
1 1 1 23 17 28 o 28.11000 1.075000  -3.963000      2.150000  
1 1 1 23 17 30 o 18.12000 1.711000  -2.053000      3.421000  
1 1 1 23 17 32 o 12.81000 1.988000  0.4423000      3.975000  
1 1 1 23 17 34 o 10.43000 2.600000  -4.399000      5.200000  
1 1 1 23 18 1  o 16.12000 1.477000  -0.6929000     2.954000  
1 1 1 23 18 3  o 28.64000 0.9366000 -1.312000      1.873000  
1 1 1 23 18 5  o 44.54000 0.8547000 -0.5531000     1.709000  
1 1 1 23 18 7  o 11.40000 1.900000  -0.4122000     3.801000  
1 1 1 23 18 9  f 7.636000 1.944000  -0.8131000     3.889000  
1 1 1 23 18 11 o 14.13000 1.980000  0.9232000      3.960000  
1 1 1 23 18 13 o 43.90000 2.277000  -1.087000      4.555000  
1 1 1 23 18 15 o 31.16000 3.112000  -3.042000      6.224000  
1 1 1 23 18 17 o 11.11000 2.249000  0.3885000      4.499000  
1 1 1 23 18 19 o 24.73000 1.680000  -0.8943000E-01 3.359000  
1 1 1 23 18 21 o 30.84000 1.816000  -0.9424000     3.632000  
1 1 1 23 18 23 o 56.69000 1.467000  -0.2805000E-01 2.934000  
1 1 1 23 18 25 o 23.05000 1.310000  1.468000       2.620000  
1 1 1 23 18 27 o 22.98000 1.228000  1.311000       2.457000  
1 1 1 23 18 29 o 22.49000 1.308000  -0.9569000E-01 2.616000  
1 1 1 23 18 31 o 17.17000 1.618000  -0.1731000     3.236000  
1 1 1 23 18 33 o 28.42000 1.525000  ?              ?         
1 1 1 23 18 35 o 10.39000 4.374000  ?              ?         
1 1 1 23 19 0  o 13.85000 2.540000  0.000000       0.000000  
1 1 1 23 19 2  o 55.86000 0.9411000 0.6413000E-01  1.882000  
1 1 1 23 19 4  o 13.38000 1.625000  -1.901000      3.250000  
1 1 1 23 19 6  o 10.15000 2.247000  -2.155000      4.494000  
1 1 1 23 19 8  o 24.79000 1.167000  -0.6380000     2.334000  
1 1 1 23 19 10 o 23.49000 1.470000  0.9678000      2.940000  
1 1 1 23 19 12 o 23.84000 1.461000  4.982000       2.922000  
1 1 1 23 19 14 o 42.22000 2.110000  0.7012000      4.220000  
1 1 1 23 19 16 o 21.41000 1.442000  -5.145000      2.884000  
1 1 1 23 19 18 o 6.711000 2.174000  0.5828000      4.347000  
1 1 1 23 19 20 o 69.92000 1.788000  0.5707000      3.576000  
1 1 1 23 19 22 o 28.35000 1.588000  -0.5120000     3.176000  
1 1 1 23 19 24 o 15.85000 1.837000  -2.752000      3.673000  
1 1 1 23 19 26 o 7.067000 2.093000  1.561000       4.186000  
1 1 1 23 19 28 o 28.47000 1.205000  -0.5261000     2.411000  
1 1 1 23 19 30 o 24.07000 3.754000  -11.79000      7.509000  
1 1 1 23 19 32 o 13.96000 2.126000  0.1104000      4.252000  
1 1 1 23 19 34 o 16.16000 3.221000  ?              ?         
1 1 1 23 20 1  o 41.76000 1.197000  1.269000       2.394000  
1 1 1 23 20 3  o 9.505000 2.754000  0.4033000      5.508000  
1 1 1 23 20 5  o 21.41000 1.714000  0.7540000      3.427000  
1 1 1 23 20 7  o 47.06000 1.161000  0.3360000      2.322000  
1 1 1 23 20 9  o 63.71000 1.361000  1.291000       2.721000  
1 1 1 23 20 11 o 65.08000 1.325000  1.984000       2.651000  
1 1 1 23 20 13 o 47.94000 1.230000  -0.2893000     2.460000  
1 1 1 23 20 15 o 22.95000 4.622000  -4.355000      9.245000  
1 1 1 23 20 17 o 6.757000 2.217000  2.105000       4.434000  
1 1 1 23 20 19 o 35.96000 1.842000  6.668000       3.684000  
1 1 1 23 20 21 o 6.472000 2.138000  0.4775000      4.277000  
1 1 1 23 20 23 o 28.40000 1.234000  -3.147000      2.469000  
1 1 1 23 20 25 o 18.49000 1.884000  5.637000       3.768000  
1 1 1 23 20 27 o 24.27000 1.240000  4.608000       2.479000  
1 1 1 23 20 29 o 18.87000 1.599000  -2.878000      3.199000  
1 1 1 23 20 31 o 20.35000 1.521000  -1.165000      3.042000  
1 1 1 23 20 33 o 33.23000 1.603000  -8.172000      3.207000  
1 1 1 23 21 0  o 80.11000 1.994000  0.000000       0.000000  
1 1 1 23 21 2  o 36.69000 1.142000  2.629000       2.284000  
1 1 1 23 21 4  o 8.091000 2.378000  2.948000       4.757000  
1 1 1 23 21 6  f 48.03000 1.151000  -2.631000      2.303000  
1 1 1 23 21 8  o 48.83000 1.191000  3.536000       2.382000  
1 1 1 23 21 10 o 36.01000 1.249000  -0.7717000     2.499000  
1 1 1 23 21 12 o 47.90000 1.425000  -0.8333000     2.849000  
1 1 1 23 21 14 o 25.74000 1.759000  -4.549000      3.517000  
1 1 1 23 21 16 o 17.07000 4.548000  1.662000       9.097000  
1 1 1 23 21 18 o 21.57000 2.365000  -7.016000      4.731000  
1 1 1 23 21 20 o 10.33000 2.725000  1.495000       5.450000  
1 1 1 23 21 22 o 9.998000 2.369000  -1.386000      4.737000  
1 1 1 23 21 24 o 17.48000 1.686000  0.7175000      3.372000  
1 1 1 23 21 26 o 35.32000 1.114000  -0.1083000     2.228000  
1 1 1 23 21 28 o 46.03000 1.225000  3.628000       2.451000  
1 1 1 23 21 30 o 47.31000 1.238000  1.565000       2.477000  
1 1 1 23 21 32 o 21.17000 2.339000  -8.422000      4.678000  
1 1 1 23 22 1  o 22.94000 1.330000  1.366000       2.661000  
1 1 1 23 22 3  o 32.52000 1.051000  -0.8989000     2.103000  
1 1 1 23 22 5  o 32.61000 1.222000  -1.513000      2.444000  
1 1 1 23 22 7  o 40.73000 1.191000  -2.712000      2.383000  
1 1 1 23 22 9  o 26.00000 1.619000  -0.7804000     3.239000  
1 1 1 23 22 11 f 41.54000 1.405000  -3.847000      2.809000  
1 1 1 23 22 13 o 36.47000 1.493000  1.675000       2.985000  
1 1 1 23 22 15 o 84.39000 1.975000  7.119000       3.951000  
1 1 1 23 22 17 o 16.92000 3.889000  -2.080000      7.779000  
1 1 1 23 22 19 o 22.01000 2.104000  1.524000       4.207000  
1 1 1 23 22 21 o 33.32000 1.330000  0.4865000      2.659000  
1 1 1 23 22 23 o 12.42000 2.297000  -0.6971000     4.594000  
1 1 1 23 22 25 o 37.44000 1.152000  -0.1148000     2.304000  
1 1 1 23 22 27 o 19.48000 1.586000  3.239000       3.172000  
1 1 1 23 22 29 o 17.31000 1.827000  -2.826000      3.653000  
1 1 1 23 22 31 o 28.60000 1.502000  -1.920000      3.004000  
1 1 1 23 23 0  o 7.505000 3.065000  0.000000       0.000000  
1 1 1 23 23 2  o 29.00000 1.148000  -1.025000      2.297000  
1 1 1 23 23 4  o 40.85000 1.422000  -0.5763000     2.843000  
1 1 1 23 23 6  o 17.47000 2.207000  7.392000       4.413000  
1 1 1 23 23 8  o 43.66000 1.350000  4.969000       2.701000  
1 1 1 23 23 10 f 51.47000 1.411000  -3.858000      2.822000  
1 1 1 23 23 12 o 41.31000 1.650000  -2.641000      3.301000  
1 1 1 23 23 14 o 39.98000 1.617000  1.239000       3.234000  
1 1 1 23 23 16 o 25.73000 2.070000  3.396000       4.141000  
1 1 1 23 23 18 o 17.94000 4.446000  3.113000       8.892000  
1 1 1 23 23 20 o 11.83000 2.608000  -1.183000      5.217000  
1 1 1 23 23 22 o 20.27000 1.699000  2.141000       3.398000  
1 1 1 23 23 24 o 33.71000 1.248000  1.291000       2.496000  
1 1 1 23 23 26 o 28.81000 1.227000  0.6349000      2.454000  
1 1 1 23 23 28 o 12.44000 2.844000  -2.909000      5.688000  
1 1 1 23 23 30 o 19.98000 2.632000  -9.234000      5.264000  
1 1 1 23 24 1  f 39.65000 1.100000  0.9617000      2.201000  
1 1 1 23 24 3  o 8.833000 2.593000  1.486000       5.185000  
1 1 1 23 24 5  o 46.62000 1.415000  -2.293000      2.831000  
1 1 1 23 24 7  o 22.19000 2.282000  -3.875000      4.563000  
1 1 1 23 24 9  o 6.681000 2.231000  -0.9621000     4.461000  
1 1 1 23 24 11 o 35.27000 1.861000  2.777000       3.721000  
1 1 1 23 24 13 o 65.21000 1.786000  -0.3179000     3.572000  
1 1 1 23 24 15 o 78.97000 1.883000  5.058000       3.766000  
1 1 1 23 24 17 o 36.75000 1.427000  0.9637000      2.855000  
1 1 1 23 24 19 o 17.84000 3.779000  0.8083000      7.559000  
1 1 1 23 24 21 o 27.83000 1.430000  -1.662000      2.860000  
1 1 1 23 24 23 o 48.66000 1.232000  0.1040000      2.464000  
1 1 1 23 24 25 o 24.92000 1.450000  1.712000       2.900000  
1 1 1 23 24 27 o 9.464000 2.352000  -2.031000      4.704000  
1 1 1 23 24 29 o 15.28000 2.457000  -8.924000      4.914000  
1 1 1 23 25 0  o 22.22000 2.161000  0.000000       0.000000  
1 1 1 23 25 2  o 7.088000 2.335000  0.6080000      4.671000  
1 1 1 23 25 4  o 27.76000 2.105000  -1.459000      4.210000  
1 1 1 23 25 6  f 25.05000 2.527000  5.982000       5.055000  
1 1 1 23 25 8  o 23.55000 2.856000  5.935000       5.713000  
1 1 1 23 25 10 o 45.76000 1.817000  -4.002000      3.635000  
1 1 1 23 25 12 o 20.58000 2.877000  -3.648000      5.753000  
1 1 1 23 25 14 o 15.27000 2.533000  -5.978000      5.066000  
1 1 1 23 25 16 o 8.638000 2.575000  1.683000       5.150000  
1 1 1 23 25 18 o 10.52000 2.630000  1.516000       5.260000  
1 1 1 23 25 20 o 34.07000 3.612000  -7.280000      7.224000  
1 1 1 23 25 22 o 10.21000 2.599000  0.6083000      5.199000  
1 1 1 23 25 24 o 32.73000 1.304000  -0.7623000     2.607000  
1 1 1 23 25 26 o 31.39000 1.345000  -2.632000      2.689000  
1 1 1 23 25 28 o 17.96000 2.581000  -5.969000      5.162000  
1 1 1 23 26 1  o 15.50000 3.196000  14.23000       6.392000  
1 1 1 23 26 3  o 26.50000 2.337000  4.400000       4.675000  
1 1 1 23 26 5  o 59.03000 2.281000  1.162000       4.562000  
1 1 1 23 26 7  o 13.25000 3.540000  -1.456000      7.080000  
1 1 1 23 26 9  o 4.956000 2.480000  ?              ?         
1 1 1 23 26 11 o 48.36000 1.720000  5.724000       3.440000  
1 1 1 23 26 13 o 42.49000 1.414000  -4.368000      2.828000  
1 1 1 23 26 15 o 17.50000 2.546000  1.259000       5.092000  
1 1 1 23 26 17 o 9.242000 2.675000  2.715000       5.349000  
1 1 1 23 26 19 o 13.43000 2.456000  -3.293000      4.911000  
1 1 1 23 26 21 o 31.14000 3.639000  -5.223000      7.278000  
1 1 1 23 26 23 o 14.45000 2.326000  -3.693000      4.651000  
1 1 1 23 26 25 o 17.94000 2.228000  -1.729000      4.457000  
1 1 1 23 26 27 o 17.19000 2.899000  -3.159000      5.798000  
1 1 1 23 27 0  o 13.36000 4.532000  0.000000       0.000000  
1 1 1 23 27 2  o 8.998000 2.912000  2.159000       5.825000  
1 1 1 23 27 4  o 28.73000 2.871000  -3.851000      5.742000  
1 1 1 23 27 6  o 38.34000 1.892000  3.394000       3.784000  
1 1 1 23 27 8  o 12.41000 3.189000  1.288000       6.378000  
1 1 1 23 27 10 o 18.04000 2.726000  -2.268000      5.453000  
1 1 1 23 27 12 o 9.528000 2.842000  3.844000       5.685000  
1 1 1 23 27 14 o 25.90000 1.886000  -1.826000      3.771000  
1 1 1 23 27 16 o 30.61000 1.962000  4.091000       3.923000  
1 1 1 23 27 18 o 23.36000 2.065000  -2.305000      4.131000  
1 1 1 23 27 20 o 40.24000 1.357000  -0.4646000     2.713000  
1 1 1 23 27 22 o 46.33000 2.219000  -1.717000      4.437000  
1 1 1 23 27 24 o 19.71000 2.309000  -4.542000      4.618000  
1 1 1 23 27 26 o 26.79000 2.889000  -3.783000      5.778000  
1 1 1 23 28 1  o 7.288000 2.437000  -0.1366000     4.874000  
1 1 1 23 28 3  o 21.26000 2.517000  1.733000       5.035000  
1 1 1 23 28 5  o 19.10000 2.527000  -2.104000      5.055000  
1 1 1 23 28 7  o 32.90000 1.817000  -5.576000      3.633000  
1 1 1 23 28 9  o 21.95000 3.896000  5.154000       7.793000  
1 1 1 23 28 11 o 62.03000 1.426000  4.100000       2.851000  
1 1 1 23 28 13 o 23.09000 2.126000  0.2859000      4.252000  
1 1 1 23 28 15 o 11.95000 3.089000  0.4988000      6.177000  
1 1 1 23 28 17 o 11.12000 2.751000  1.195000       5.503000  
1 1 1 23 28 19 o 32.61000 1.628000  0.4193000      3.255000  
1 1 1 23 28 21 o 49.77000 1.340000  -4.131000      2.680000  
1 1 1 23 28 23 f 18.41000 3.923000  -4.364000      7.846000  
1 1 1 23 28 25 o 36.47000 2.287000  -5.382000      4.575000  
1 1 1 23 29 0  o 23.00000 3.437000  0.000000       0.000000  
1 1 1 23 29 2  o 19.39000 3.152000  -1.627000      6.304000  
1 1 1 23 29 4  f 10.19000 3.063000  -0.9562000E-01 6.126000  
1 1 1 23 29 6  o 10.72000 2.925000  4.535000       5.850000  
1 1 1 23 29 8  o 43.73000 1.625000  -0.4757000     3.249000  
1 1 1 23 29 10 o 65.23000 1.418000  1.378000       2.836000  
1 1 1 23 29 12 o 62.71000 1.417000  2.539000       2.833000  
1 1 1 23 29 14 o 10.35000 2.827000  2.471000       5.653000  
1 1 1 23 29 16 o 20.52000 2.188000  -3.432000      4.375000  
1 1 1 23 29 18 o 33.37000 1.610000  -3.270000      3.221000  
1 1 1 23 29 20 o 17.43000 2.550000  2.037000       5.100000  
1 1 1 23 29 22 o 12.38000 2.846000  1.009000       5.691000  
1 1 1 23 29 24 o 26.68000 2.412000  ?              ?         
1 1 1 23 30 1  o 34.11000 1.859000  0.3135000      3.718000  
1 1 1 23 30 3  o 23.31000 2.237000  -2.749000      4.474000  
1 1 1 23 30 5  o 11.50000 3.238000  1.634000       6.477000  
1 1 1 23 30 7  o 31.72000 1.766000  1.436000       3.532000  
1 1 1 23 30 9  o 20.22000 3.683000  -7.512000      7.366000  
1 1 1 23 30 11 o 12.85000 3.104000  6.238000       6.207000  
1 1 1 23 30 13 o 26.32000 1.881000  -0.2847000     3.763000  
1 1 1 23 30 15 o 19.48000 2.476000  -3.533000      4.951000  
1 1 1 23 30 17 o 31.80000 1.778000  -3.545000      3.555000  
1 1 1 23 30 19 o 36.28000 1.684000  -1.328000      3.369000  
1 1 1 23 30 21 o 24.46000 2.163000  ?              ?         
1 1 1 23 30 23 o 15.15000 3.344000  13.42000       6.688000  
1 1 1 23 31 0  o 26.77000 2.898000  0.000000       0.000000  
1 1 1 23 31 2  o 13.81000 3.309000  7.511000       6.617000  
1 1 1 23 31 4  o 32.65000 1.856000  0.6353000      3.712000  
1 1 1 23 31 6  o 14.89000 3.299000  4.991000       6.597000  
1 1 1 23 31 8  o 22.75000 2.263000  3.273000       4.527000  
1 1 1 23 31 10 o 14.86000 3.831000  3.855000       7.663000  
1 1 1 23 31 12 o 26.49000 2.001000  -2.916000      4.002000  
1 1 1 23 31 14 o 15.25000 3.373000  1.512000       6.746000  
1 1 1 23 31 16 o 9.782000 2.808000  2.079000       5.616000  
1 1 1 23 31 18 o 16.12000 3.025000  2.610000       6.051000  
1 1 1 23 31 20 o 34.62000 2.277000  2.471000       4.555000  
1 1 1 23 31 22 o 12.60000 3.591000  -4.168000      7.182000  
1 1 1 23 32 1  o 38.42000 1.472000  0.4928000      2.943000  
1 1 1 23 32 3  o 22.36000 2.863000  -3.182000      5.726000  
1 1 1 23 32 5  o 17.42000 2.993000  1.477000       5.986000  
1 1 1 23 32 7  o 33.63000 1.972000  4.840000       3.943000  
1 1 1 23 32 9  o 14.79000 2.822000  -4.041000      5.644000  
1 1 1 23 32 11 o 9.139000 2.773000  2.479000       5.546000  
1 1 1 23 32 13 o 11.16000 3.214000  2.356000       6.428000  
1 1 1 23 32 15 o 11.15000 2.683000  -4.105000      5.367000  
1 1 1 23 32 17 o 9.726000 2.977000  1.340000       5.955000  
1 1 1 23 32 19 f 36.64000 1.705000  9.505000       3.411000  
1 1 1 23 33 0  o 32.86000 2.447000  0.000000       0.000000  
1 1 1 23 33 2  o 38.36000 1.586000  -0.1685000     3.172000  
1 1 1 23 33 4  o 15.42000 3.364000  -2.218000      6.728000  
1 1 1 23 33 6  o 10.60000 3.045000  -0.4687000     6.089000  
1 1 1 23 33 8  o 20.64000 2.548000  1.037000       5.096000  
1 1 1 23 33 10 o 18.42000 3.086000  0.7687000      6.173000  
1 1 1 23 33 12 o 21.26000 2.750000  -2.956000      5.501000  
1 1 1 23 33 14 o 14.22000 3.046000  -3.954000      6.091000  
1 1 1 23 33 16 o 31.19000 1.629000  -3.452000      3.257000  
1 1 1 23 33 18 o 8.183000 2.657000  1.754000       5.313000  
1 1 1 23 34 1  o 43.57000 1.438000  -2.073000      2.876000  
1 1 1 23 34 3  o 10.31000 2.980000  -1.797000      5.959000  
1 1 1 23 34 5  o 10.58000 3.079000  -1.352000      6.158000  
1 1 1 23 34 7  o 23.25000 2.790000  -2.033000      5.580000  
1 1 1 23 34 9  o 10.02000 3.099000  3.997000       6.198000  
1 1 1 23 34 11 o 10.96000 3.186000  5.884000       6.372000  
1 1 1 23 34 13 o 15.66000 2.503000  -8.651000      5.007000  
1 1 1 23 34 15 o 17.98000 3.346000  -7.730000      6.692000  
1 1 1 23 35 0  o 12.75000 4.724000  0.000000       0.000000  
1 1 1 23 35 2  o 11.35000 3.201000  0.8520000      6.401000  
1 1 1 23 35 4  o 20.99000 3.360000  -2.825000      6.721000  
1 1 1 23 35 6  o 10.89000 3.147000  -0.4905000     6.294000  
1 1 1 23 35 8  o 6.835000 2.311000  0.3260000E-01  4.622000  
1 1 1 23 35 10 o 29.28000 1.735000  -1.614000      3.470000  
1 1 1 23 36 1  o 14.81000 3.142000  1.312000       6.284000  
1 1 1 23 36 3  o 25.23000 2.077000  0.4023000      4.154000  
1 1 1 23 36 5  o 34.39000 1.943000  3.654000       3.887000  
1 1 1 23 36 7  o 32.79000 1.884000  -3.002000      3.767000  
1 1 1 23 36 9  o 8.346000 2.676000  -0.5943000     5.352000  
1 1 1 23 37 0  o 8.768000 3.939000  0.000000       0.000000  
1 1 1 23 37 2  o 8.375000 2.711000  1.502000       5.422000  
1 1 1 23 37 4  o 12.58000 4.599000  ?              ?         
1 1 1 24 0  0  o 32.05000 1.322000  0.000000       0.000000  
1 1 1 24 0  2  f 43.87000 1.007000  0.000000       0.000000  
1 1 1 24 0  4  o 44.88000 1.028000  0.000000       0.000000  
1 1 1 24 0  6  o 7.494000 2.861000  0.000000       0.000000  
1 1 1 24 0  8  o 63.62000 1.261000  0.000000       0.000000  
1 1 1 24 0  10 o 24.53000 0.9633000 0.000000       0.000000  
1 1 1 24 0  12 o 46.58000 1.030000  0.000000       0.000000  
1 1 1 24 0  14 o 11.77000 1.938000  0.000000       0.000000  
1 1 1 24 0  16 o 5.169000 2.231000  0.000000       0.000000  
1 1 1 24 0  18 o 31.92000 1.149000  0.000000       0.000000  
1 1 1 24 0  20 o 32.77000 1.285000  0.000000       0.000000  
1 1 1 24 0  22 o 31.95000 1.255000  0.000000       0.000000  
1 1 1 24 0  24 o 31.96000 1.800000  0.000000       0.000000  
1 1 1 24 0  26 o 29.42000 1.711000  0.000000       0.000000  
1 1 1 24 0  28 o 61.85000 1.725000  0.000000       0.000000  
1 1 1 24 0  30 f 27.35000 1.930000  0.000000       0.000000  
1 1 1 24 0  32 o 23.33000 2.173000  0.000000       0.000000  
1 1 1 24 0  34 o 11.97000 3.505000  0.000000       0.000000  
1 1 1 24 0  36 f 7.930000 3.276000  0.000000       0.000000  
1 1 1 24 0  38 o 28.01000 7.030000  0.000000       0.000000  
1 1 1 24 1  1  o 76.27000 1.030000  0.2591000      2.060000  
1 1 1 24 1  3  o 25.72000 0.7017000 0.5259000      1.403000  
1 1 1 24 1  5  o 23.68000 0.7461000 -0.6805000     1.492000  
1 1 1 24 1  7  o 28.07000 0.6859000 0.2238000      1.372000  
1 1 1 24 1  9  o 63.84000 0.8932000 1.270000       1.786000  
1 1 1 24 1  11 o 42.35000 0.7006000 -0.5613000     1.401000  
1 1 1 24 1  13 o 12.94000 1.278000  0.5096000      2.557000  
1 1 1 24 1  15 o 25.90000 0.7360000 1.399000       1.472000  
1 1 1 24 1  17 o 26.98000 0.8056000 1.210000       1.611000  
1 1 1 24 1  19 o 24.16000 0.8429000 0.1694000      1.686000  
1 1 1 24 1  21 o 28.71000 0.9523000 -0.4965000E-02 1.905000  
1 1 1 24 1  23 o 25.28000 1.023000  0.9676000      2.047000  
1 1 1 24 1  25 f 84.41000 2.292000  -0.8031000     4.584000  
1 1 1 24 1  27 o 42.45000 1.357000  -2.524000      2.715000  
1 1 1 24 1  29 o 38.70000 1.308000  -0.7899000     2.616000  
1 1 1 24 1  31 o 35.02000 1.159000  0.8308000E-01  2.318000  
1 1 1 24 1  33 o 17.16000 1.380000  -0.7320000     2.760000  
1 1 1 24 1  35 o 29.50000 1.227000  0.4416000      2.455000  
1 1 1 24 1  37 o 12.47000 2.835000  -0.3856000     5.671000  
1 1 1 24 2  0  o 48.28000 1.054000  0.000000       0.000000  
1 1 1 24 2  2  o 49.09000 0.7537000 0.2630000      1.507000  
1 1 1 24 2  4  o 57.36000 0.8296000 -0.7335000     1.659000  
1 1 1 24 2  6  o 40.91000 0.7015000 1.158000       1.403000  
1 1 1 24 2  8  o 19.52000 0.8007000 -0.7359000E-01 1.601000  
1 1 1 24 2  10 o 44.16000 0.7492000 -0.5785000     1.498000  
1 1 1 24 2  12 o 19.63000 0.8753000 0.3655000      1.751000  
1 1 1 24 2  14 o 23.20000 0.8102000 1.001000       1.620000  
1 1 1 24 2  16 o 30.42000 0.8038000 1.098000       1.608000  
1 1 1 24 2  18 o 9.006000 1.810000  -1.409000      3.620000  
1 1 1 24 2  20 o 31.70000 0.7651000 0.6714000      1.530000  
1 1 1 24 2  22 o 35.14000 0.8020000 -0.1870000     1.604000  
1 1 1 24 2  24 o 40.70000 1.425000  -1.592000      2.851000  
1 1 1 24 2  26 o 52.71000 1.406000  1.988000       2.811000  
1 1 1 24 2  28 o 33.52000 1.785000  -0.5540000E-01 3.571000  
1 1 1 24 2  30 o 18.77000 1.774000  2.492000       3.547000  
1 1 1 24 2  32 o 16.89000 1.496000  -2.523000      2.991000  
1 1 1 24 2  34 o 32.11000 0.9620000 1.780000       1.924000  
1 1 1 24 2  36 o 11.06000 2.123000  -2.605000      4.246000  
1 1 1 24 2  38 o 21.39000 3.851000  ?              ?         
1 1 1 24 3  1  o 75.43000 1.019000  -0.8342000     2.038000  
1 1 1 24 3  3  o 54.06000 0.7950000 0.7735000E-01  1.590000  
1 1 1 24 3  5  o 9.967000 1.641000  0.8358000      3.282000  
1 1 1 24 3  7  o 61.02000 0.9370000 1.595000       1.874000  
1 1 1 24 3  9  o 32.41000 0.7056000 1.249000       1.411000  
1 1 1 24 3  11 o 45.30000 0.7543000 0.1592000      1.509000  
1 1 1 24 3  13 o 6.580000 1.737000  -1.409000      3.474000  
1 1 1 24 3  15 o 50.35000 0.8541000 -0.8813000     1.708000  
1 1 1 24 3  17 o 58.88000 0.9447000 -2.710000      1.889000  
1 1 1 24 3  19 o 37.09000 0.7527000 0.6701000      1.505000  
1 1 1 24 3  21 o 48.23000 0.9878000 0.3430000      1.976000  
1 1 1 24 3  23 o 36.66000 0.9788000 -0.5999000     1.958000  
1 1 1 24 3  25 o 32.48000 1.366000  -2.569000      2.733000  
1 1 1 24 3  27 o 15.11000 2.282000  3.631000       4.564000  
1 1 1 24 3  29 o 27.22000 1.078000  1.167000       2.156000  
1 1 1 24 3  31 o 21.81000 1.244000  2.724000       2.487000  
1 1 1 24 3  33 o 10.22000 2.117000  -1.754000      4.234000  
1 1 1 24 3  35 o 16.59000 1.549000  -0.9065000     3.098000  
1 1 1 24 3  37 o 18.33000 1.676000  2.549000       3.353000  
1 1 1 24 4  0  o 84.41000 1.599000  0.000000       0.000000  
1 1 1 24 4  2  o 33.16000 0.6823000 0.3013000      1.365000  
1 1 1 24 4  4  o 49.28000 0.8724000 -0.6413000     1.745000  
1 1 1 24 4  6  o 48.03000 0.7489000 -1.588000      1.498000  
1 1 1 24 4  8  o 17.21000 1.097000  0.5499000      2.194000  
1 1 1 24 4  10 f 35.52000 0.7133000 0.1885000      1.427000  
1 1 1 24 4  12 o 14.12000 1.288000  1.476000       2.577000  
1 1 1 24 4  14 o 28.27000 0.8074000 0.1532000      1.615000  
1 1 1 24 4  16 o 29.12000 0.8171000 0.7442000      1.634000  
1 1 1 24 4  18 o 9.720000 1.734000  1.801000       3.468000  
1 1 1 24 4  20 o 23.93000 1.011000  0.5465000      2.022000  
1 1 1 24 4  22 o 25.07000 1.352000  2.248000       2.704000  
1 1 1 24 4  24 o 47.75000 1.218000  0.2554000E-01  2.436000  
1 1 1 24 4  26 f 69.85000 1.415000  -1.881000      2.831000  
1 1 1 24 4  28 o 35.03000 1.106000  -1.169000      2.213000  
1 1 1 24 4  30 o 30.22000 1.030000  -0.9192000     2.059000  
1 1 1 24 4  32 o 32.93000 0.9782000 1.212000       1.956000  
1 1 1 24 4  34 o 31.57000 1.020000  1.503000       2.040000  
1 1 1 24 4  36 o 39.29000 1.276000  -3.836000      2.553000  
1 1 1 24 4  38 o 16.88000 3.293000  -7.772000      6.586000  
1 1 1 24 5  1  o 19.09000 0.8221000 -0.4354000     1.644000  
1 1 1 24 5  3  o 63.71000 0.8970000 -0.9397000     1.794000  
1 1 1 24 5  5  o 78.47000 1.149000  -0.3848000     2.299000  
1 1 1 24 5  7  f 44.34000 0.7556000 2.404000       1.511000  
1 1 1 24 5  9  o 29.06000 0.7348000 -0.1713000     1.470000  
1 1 1 24 5  11 o 43.54000 0.7496000 1.238000       1.499000  
1 1 1 24 5  13 o 62.36000 0.9727000 -0.5097000     1.945000  
1 1 1 24 5  15 o 52.36000 0.8822000 0.3415000E-01  1.764000  
1 1 1 24 5  17 o 17.78000 1.124000  1.716000       2.248000  
1 1 1 24 5  19 o 39.03000 0.8785000 0.2113000      1.757000  
1 1 1 24 5  21 o 26.52000 0.9876000 -2.295000      1.975000  
1 1 1 24 5  23 o 24.35000 0.9652000 -0.9071000     1.930000  
1 1 1 24 5  25 o 19.69000 1.638000  0.9395000E-01  3.277000  
1 1 1 24 5  27 o 34.67000 1.455000  2.160000       2.910000  
1 1 1 24 5  29 o 44.14000 0.9832000 -0.7016000E-01 1.966000  
1 1 1 24 5  31 o 12.60000 2.182000  0.1327000      4.364000  
1 1 1 24 5  33 f 16.22000 1.632000  -0.5490000     3.264000  
1 1 1 24 5  35 o 25.71000 1.171000  1.137000       2.341000  
1 1 1 24 5  37 o 15.27000 2.203000  3.433000       4.405000  
1 1 1 24 6  0  o 69.45000 1.350000  0.000000       0.000000  
1 1 1 24 6  2  o 31.97000 0.7619000 -1.627000      1.524000  
1 1 1 24 6  4  o 32.30000 0.7364000 -0.3339000     1.473000  
1 1 1 24 6  6  o 25.10000 0.7798000 -1.318000      1.560000  
1 1 1 24 6  8  o 84.82000 1.181000  -2.647000      2.362000  
1 1 1 24 6  10 o 20.52000 0.8830000 -1.088000      1.766000  
1 1 1 24 6  12 o 12.15000 1.422000  -1.912000      2.844000  
1 1 1 24 6  14 o 42.74000 0.8124000 -0.9365000     1.625000  
1 1 1 24 6  16 o 33.21000 0.8089000 -2.092000      1.618000  
1 1 1 24 6  18 f 7.455000 1.939000  -1.230000      3.877000  
1 1 1 24 6  20 o 18.65000 1.713000  0.4534000      3.426000  
1 1 1 24 6  22 o 12.13000 1.781000  0.3620000      3.561000  
1 1 1 24 6  24 o 11.27000 2.165000  -0.9240000     4.329000  
1 1 1 24 6  26 o 69.18000 1.276000  0.1083000      2.552000  
1 1 1 24 6  28 o 62.42000 1.083000  1.582000       2.166000  
1 1 1 24 6  30 o 47.23000 0.9643000 -0.8366000E-01 1.929000  
1 1 1 24 6  32 o 46.35000 0.9543000 0.4262000E-01  1.909000  
1 1 1 24 6  34 o 17.34000 1.492000  2.925000       2.984000  
1 1 1 24 6  36 o 17.40000 1.604000  -8.782000      3.207000  
1 1 1 24 6  38 o 7.812000 2.593000  1.572000       5.186000  
1 1 1 24 7  1  o 58.10000 0.9334000 -1.187000      1.867000  
1 1 1 24 7  3  o 56.17000 0.8996000 1.344000       1.799000  
1 1 1 24 7  5  o 50.73000 0.8059000 0.8047000      1.612000  
1 1 1 24 7  7  o 48.50000 0.7934000 0.3938000      1.587000  
1 1 1 24 7  9  o 51.83000 0.9257000 -2.249000      1.851000  
1 1 1 24 7  11 o 65.11000 0.9571000 1.380000       1.914000  
1 1 1 24 7  13 o 19.66000 1.036000  1.797000       2.071000  
1 1 1 24 7  15 f 81.40000 1.202000  -3.757000      2.403000  
1 1 1 24 7  17 f 41.62000 0.9007000 -1.650000      1.801000  
1 1 1 24 7  19 o 34.13000 1.180000  -1.442000      2.359000  
1 1 1 24 7  21 o 44.56000 0.9951000 ?              ?         
1 1 1 24 7  23 o 32.98000 0.8684000 -1.067000      1.737000  
1 1 1 24 7  25 o 24.19000 1.435000  -0.6060000     2.871000  
1 1 1 24 7  27 o 64.08000 1.125000  0.9425000      2.249000  
1 1 1 24 7  29 o 43.63000 0.8803000 0.3008000      1.761000  
1 1 1 24 7  31 o 33.81000 0.9463000 -0.4117000     1.893000  
1 1 1 24 7  33 o 14.43000 1.758000  -1.516000      3.516000  
1 1 1 24 7  35 o 20.61000 1.735000  2.825000       3.470000  
1 1 1 24 7  37 o 25.64000 1.950000  6.258000       3.901000  
1 1 1 24 8  0  o 40.56000 1.049000  0.000000       0.000000  
1 1 1 24 8  2  o 69.06000 1.136000  -2.678000      2.273000  
1 1 1 24 8  4  o 46.81000 0.7911000 -1.501000      1.582000  
1 1 1 24 8  6  o 40.98000 0.7616000 -0.2866000     1.523000  
1 1 1 24 8  8  f 38.20000 0.7500000 -0.6219000     1.500000  
1 1 1 24 8  10 f 45.31000 0.7847000 -1.254000      1.569000  
1 1 1 24 8  12 o 47.90000 0.8049000 -0.9185000E-01 1.610000  
1 1 1 24 8  14 o 25.52000 0.8750000 0.4584000      1.750000  
1 1 1 24 8  16 o 18.12000 1.043000  -0.2366000     2.086000  
1 1 1 24 8  18 o 14.40000 1.401000  0.3089000      2.803000  
1 1 1 24 8  20 o 5.758000 2.233000  ?              ?         
1 1 1 24 8  22 f 6.277000 1.926000  -2.665000      3.853000  
1 1 1 24 8  24 o 24.88000 1.370000  -1.810000      2.741000  
1 1 1 24 8  26 o 50.06000 1.271000  0.8903000      2.541000  
1 1 1 24 8  28 o 36.18000 0.9173000 1.301000       1.835000  
1 1 1 24 8  30 o 11.27000 2.060000  0.2659000      4.121000  
1 1 1 24 8  32 o 8.601000 2.092000  0.7449000      4.183000  
1 1 1 24 8  34 o 16.21000 1.695000  5.634000       3.389000  
1 1 1 24 8  36 o 16.33000 1.933000  3.043000       3.866000  
1 1 1 24 9  1  o 29.18000 0.7550000 0.5441000      1.510000  
1 1 1 24 9  3  o 55.93000 0.9190000 -0.3147000     1.838000  
1 1 1 24 9  5  o 38.86000 0.7524000 -0.5952000     1.505000  
1 1 1 24 9  7  o 54.56000 0.8517000 -1.762000      1.703000  
1 1 1 24 9  9  o 31.69000 0.7666000 -1.700000      1.533000  
1 1 1 24 9  11 o 26.61000 0.8325000 0.7249000E-01  1.665000  
1 1 1 24 9  13 o 48.67000 0.8673000 -3.085000      1.735000  
1 1 1 24 9  15 o 57.94000 0.9553000 -2.628000      1.911000  
1 1 1 24 9  17 o 25.95000 0.9661000 -0.9838000E-01 1.932000  
1 1 1 24 9  19 o 34.18000 1.205000  6.633000       2.409000  
1 1 1 24 9  21 o 29.28000 1.295000  1.528000       2.589000  
1 1 1 24 9  23 o 36.82000 0.9797000 -0.8756000     1.959000  
1 1 1 24 9  25 o 51.54000 1.358000  -0.2911000     2.716000  
1 1 1 24 9  27 f 34.17000 1.010000  -0.1646000     2.021000  
1 1 1 24 9  29 o 23.88000 1.059000  -1.283000      2.119000  
1 1 1 24 9  31 o 34.72000 0.9101000 -0.1424000E-01 1.820000  
1 1 1 24 9  33 o 20.19000 1.377000  -0.8671000     2.754000  
1 1 1 24 9  35 o 18.43000 1.650000  2.716000       3.300000  
1 1 1 24 9  37 o 10.52000 3.117000  0.6019000      6.234000  
1 1 1 24 10 0  o 16.51000 1.540000  0.000000       0.000000  
1 1 1 24 10 2  o 49.57000 0.8366000 1.053000       1.673000  
1 1 1 24 10 4  o 46.10000 0.7720000 0.2009000      1.544000  
1 1 1 24 10 6  f 29.56000 0.7727000 0.6558000      1.545000  
1 1 1 24 10 8  f 54.04000 0.8587000 -0.2856000E-01 1.717000  
1 1 1 24 10 10 o 41.06000 0.7781000 1.196000       1.556000  
1 1 1 24 10 12 o 26.76000 0.8311000 0.9406000      1.662000  
1 1 1 24 10 14 o 22.18000 0.9828000 -1.012000      1.966000  
1 1 1 24 10 16 o 20.70000 0.9769000 -0.3552000     1.954000  
1 1 1 24 10 18 o 13.83000 2.238000  0.3516000      4.477000  
1 1 1 24 10 20 o 39.42000 1.228000  2.343000       2.456000  
1 1 1 24 10 22 o 13.22000 1.671000  -4.492000      3.343000  
1 1 1 24 10 24 o 29.26000 1.396000  0.2048000E-01  2.793000  
1 1 1 24 10 26 o 33.53000 1.139000  -0.4807000     2.277000  
1 1 1 24 10 28 o 32.69000 0.9209000 -1.081000      1.842000  
1 1 1 24 10 30 o 24.91000 1.070000  -1.172000      2.140000  
1 1 1 24 10 32 o 40.34000 0.9127000 1.197000       1.825000  
1 1 1 24 10 34 f 25.79000 1.222000  4.134000       2.444000  
1 1 1 24 10 36 o 23.18000 1.903000  -1.343000      3.807000  
1 1 1 24 11 1  o 16.56000 1.232000  0.6593000      2.464000  
1 1 1 24 11 3  o 39.37000 0.7356000 -0.6223000     1.471000  
1 1 1 24 11 5  o 35.23000 0.7557000 1.426000       1.511000  
1 1 1 24 11 7  o 30.49000 0.7707000 -1.532000      1.541000  
1 1 1 24 11 9  o 24.97000 0.8828000 2.409000       1.766000  
1 1 1 24 11 11 o 29.63000 0.9014000 -1.452000      1.803000  
1 1 1 24 11 13 o 20.36000 1.068000  -1.952000      2.135000  
1 1 1 24 11 15 o 7.472000 1.953000  -0.2182000     3.906000  
1 1 1 24 11 17 o 31.25000 1.275000  -2.286000      2.550000  
1 1 1 24 11 19 o 10.31000 2.023000  ?              ?         
1 1 1 24 11 21 o 10.60000 1.979000  0.4206000      3.959000  
1 1 1 24 11 23 o 37.91000 1.036000  0.4861000      2.073000  
1 1 1 24 11 25 o 16.18000 2.046000  0.5230000      4.093000  
1 1 1 24 11 27 o 39.04000 0.8975000 -0.3391000     1.795000  
1 1 1 24 11 29 o 48.77000 0.9099000 1.018000       1.820000  
1 1 1 24 11 31 o 23.03000 1.091000  -1.020000      2.183000  
1 1 1 24 11 33 o 32.43000 1.168000  0.8153000      2.337000  
1 1 1 24 11 35 f 34.17000 1.416000  3.293000       2.832000  
1 1 1 24 11 37 o 14.50000 5.739000  ?              ?         
1 1 1 24 12 0  o 64.79000 1.501000  0.000000       0.000000  
1 1 1 24 12 2  o 35.84000 0.7768000 -0.3744000     1.554000  
1 1 1 24 12 4  o 31.10000 0.7759000 -0.5745000     1.552000  
1 1 1 24 12 6  o 35.43000 0.7796000 0.4127000      1.559000  
1 1 1 24 12 8  o 25.22000 0.8480000 -0.8678000     1.696000  
1 1 1 24 12 10 o 26.10000 0.9382000 -1.221000      1.876000  
1 1 1 24 12 12 o 10.02000 1.767000  -1.938000      3.534000  
1 1 1 24 12 14 o 48.44000 0.9177000 -1.388000      1.835000  
1 1 1 24 12 16 o 29.10000 0.9915000 -2.255000      1.983000  
1 1 1 24 12 18 o 47.67000 1.026000  ?              ?         
1 1 1 24 12 20 o 7.473000 2.060000  -0.6882000     4.121000  
1 1 1 24 12 22 o 13.89000 2.080000  1.169000       4.160000  
1 1 1 24 12 24 o 23.70000 1.712000  3.660000       3.425000  
1 1 1 24 12 26 o 50.05000 0.9598000 -1.099000      1.920000  
1 1 1 24 12 28 o 37.14000 0.8721000 -1.683000      1.744000  
1 1 1 24 12 30 o 33.33000 1.088000  2.948000       2.177000  
1 1 1 24 12 32 o 23.19000 1.243000  0.2865000      2.486000  
1 1 1 24 12 34 o 15.56000 2.236000  -0.5679000     4.473000  
1 1 1 24 12 36 o 11.76000 4.096000  9.423000       8.191000  
1 1 1 24 13 1  o 42.19000 0.7936000 -0.8791000     1.587000  
1 1 1 24 13 3  o 47.68000 0.8082000 0.1758000      1.616000  
1 1 1 24 13 5  o 10.24000 1.822000  -0.5071000     3.644000  
1 1 1 24 13 7  o 46.85000 0.7998000 -0.7571000     1.600000  
1 1 1 24 13 9  o 16.41000 1.237000  1.060000       2.474000  
1 1 1 24 13 11 o 23.37000 0.9046000 -0.3181000     1.809000  
1 1 1 24 13 13 o 25.21000 1.109000  -1.401000      2.217000  
1 1 1 24 13 15 o 16.73000 1.677000  -0.4639000     3.355000  
1 1 1 24 13 17 o 71.90000 1.303000  ?              ?         
1 1 1 24 13 19 o 45.11000 0.9782000 0.1476000      1.956000  
1 1 1 24 13 21 o 53.02000 1.090000  3.248000       2.180000  
1 1 1 24 13 23 o 37.26000 1.594000  1.684000       3.189000  
1 1 1 24 13 25 o 41.69000 1.025000  -0.3725000     2.049000  
1 1 1 24 13 27 o 9.094000 2.128000  -1.591000      4.256000  
1 1 1 24 13 29 o 25.33000 1.152000  1.735000       2.304000  
1 1 1 24 13 31 o 20.41000 1.426000  0.6154000E-01  2.852000  
1 1 1 24 13 33 o 8.594000 2.318000  2.044000       4.635000  
1 1 1 24 13 35 o 21.62000 1.994000  -4.802000      3.989000  
1 1 1 24 14 0  o 24.34000 1.296000  0.000000       0.000000  
1 1 1 24 14 2  o 48.25000 0.8230000 -1.079000      1.646000  
1 1 1 24 14 4  o 114.2000 1.502000  -1.636000      3.004000  
1 1 1 24 14 6  o 58.68000 0.8994000 0.5996000      1.799000  
1 1 1 24 14 8  o 51.98000 0.8496000 2.049000       1.699000  
1 1 1 24 14 10 o 11.88000 1.639000  0.7291000E-01  3.277000  
1 1 1 24 14 12 o 57.87000 1.390000  2.857000       2.781000  
1 1 1 24 14 14 o 26.26000 1.185000  -1.202000      2.371000  
1 1 1 24 14 16 o 21.32000 2.392000  4.817000       4.785000  
1 1 1 24 14 18 o 52.31000 1.054000  -3.700000      2.107000  
1 1 1 24 14 20 o 20.32000 1.682000  -2.073000      3.363000  
1 1 1 24 14 22 o 43.21000 1.259000  -0.1712000     2.517000  
1 1 1 24 14 24 o 26.57000 1.243000  -3.520000      2.486000  
1 1 1 24 14 26 o 24.19000 1.106000  3.272000       2.213000  
1 1 1 24 14 28 o 33.04000 0.9489000 1.866000       1.898000  
1 1 1 24 14 30 o 12.72000 2.033000  -2.112000      4.066000  
1 1 1 24 14 32 o 25.16000 1.368000  -1.100000      2.736000  
1 1 1 24 14 34 o 7.202000 2.320000  1.062000       4.640000  
1 1 1 24 15 1  o 37.64000 0.9221000 -0.9607000     1.844000  
1 1 1 24 15 3  o 27.86000 0.8541000 -0.5061000     1.708000  
1 1 1 24 15 5  f 19.22000 1.086000  -0.1301000     2.172000  
1 1 1 24 15 7  o 52.84000 0.8688000 1.265000       1.738000  
1 1 1 24 15 9  o 10.49000 1.753000  -2.798000      3.506000  
1 1 1 24 15 11 o 36.02000 0.8924000 1.951000       1.785000  
1 1 1 24 15 13 o 6.760000 1.991000  -1.841000      3.982000  
1 1 1 24 15 15 o 18.89000 1.409000  -1.498000      2.818000  
1 1 1 24 15 17 o 6.386000 1.870000  -0.5655000     3.740000  
1 1 1 24 15 19 o 24.76000 1.402000  -0.9058000E-01 2.804000  
1 1 1 24 15 21 o 30.60000 1.433000  -1.716000      2.865000  
1 1 1 24 15 23 o 7.070000 2.185000  -1.363000      4.370000  
1 1 1 24 15 25 f 9.476000 2.109000  -1.770000      4.219000  
1 1 1 24 15 27 o 7.363000 2.041000  -1.712000      4.081000  
1 1 1 24 15 29 o 25.63000 1.025000  1.067000       2.050000  
1 1 1 24 15 31 o 16.10000 1.764000  -0.9364000     3.528000  
1 1 1 24 15 33 o 10.04000 2.434000  4.419000       4.869000  
1 1 1 24 15 35 o 13.17000 2.864000  -7.981000      5.728000  
1 1 1 24 16 0  o 14.62000 2.172000  0.000000       0.000000  
1 1 1 24 16 2  o 59.72000 0.9653000 -1.522000      1.931000  
1 1 1 24 16 4  o 46.29000 0.9072000 0.2861000      1.814000  
1 1 1 24 16 6  o 39.06000 0.8182000 -0.7648000     1.636000  
1 1 1 24 16 8  o 28.65000 0.9837000 0.5135000      1.967000  
1 1 1 24 16 10 o 30.31000 0.9513000 0.8714000      1.903000  
1 1 1 24 16 12 o 48.94000 0.9921000 -0.2515000     1.984000  
1 1 1 24 16 14 o 43.04000 0.9137000 3.105000       1.827000  
1 1 1 24 16 16 o 43.43000 1.098000  0.9612000      2.197000  
1 1 1 24 16 18 o 27.77000 1.475000  -1.916000      2.950000  
1 1 1 24 16 20 o 20.81000 2.108000  -4.618000      4.217000  
1 1 1 24 16 22 f 54.58000 1.448000  6.257000       2.896000  
1 1 1 24 16 24 o 54.53000 1.245000  -3.377000      2.489000  
1 1 1 24 16 26 o 13.64000 1.758000  0.6499000      3.517000  
1 1 1 24 16 28 o 16.17000 1.498000  2.011000       2.995000  
1 1 1 24 16 30 f 9.711000 2.078000  -1.140000      4.155000  
1 1 1 24 16 32 o 21.74000 1.460000  1.208000       2.920000  
1 1 1 24 16 34 o 11.36000 3.037000  3.457000       6.075000  
1 1 1 24 17 1  o 10.99000 1.864000  -0.2265000     3.727000  
1 1 1 24 17 3  o 36.97000 1.091000  1.149000       2.183000  
1 1 1 24 17 5  o 54.15000 0.9996000 -1.125000      1.999000  
1 1 1 24 17 7  o 28.20000 1.029000  2.490000       2.057000  
1 1 1 24 17 9  o 21.37000 1.242000  2.785000       2.484000  
1 1 1 24 17 11 o 31.80000 0.9023000 1.628000       1.805000  
1 1 1 24 17 13 o 39.22000 1.037000  3.315000       2.074000  
1 1 1 24 17 15 o 11.59000 2.066000  -0.2374000     4.133000  
1 1 1 24 17 17 o 10.73000 3.010000  -0.5230000     6.020000  
1 1 1 24 17 19 o 39.83000 1.390000  1.474000       2.780000  
1 1 1 24 17 21 o 11.47000 2.874000  2.145000       5.747000  
1 1 1 24 17 23 o 42.92000 1.180000  2.797000       2.360000  
1 1 1 24 17 25 o 11.53000 2.151000  -1.604000      4.301000  
1 1 1 24 17 27 o 28.09000 1.117000  1.475000       2.234000  
1 1 1 24 17 29 o 16.84000 1.811000  2.629000       3.621000  
1 1 1 24 17 31 o 7.549000 2.158000  -1.051000      4.315000  
1 1 1 24 17 33 o 40.92000 1.416000  4.911000       2.831000  
1 1 1 24 18 0  o 31.09000 1.710000  0.000000       0.000000  
1 1 1 24 18 2  o 26.11000 1.306000  -0.3741000     2.613000  
1 1 1 24 18 4  o 35.50000 1.124000  0.9167000      2.249000  
1 1 1 24 18 6  o 25.65000 1.305000  -2.395000      2.610000  
1 1 1 24 18 8  o 42.85000 0.9830000 0.8737000      1.966000  
1 1 1 24 18 10 o 9.922000 2.223000  -1.454000      4.446000  
1 1 1 24 18 12 o 27.37000 1.355000  -0.6091000     2.709000  
1 1 1 24 18 14 o 19.00000 1.904000  -0.7044000     3.808000  
1 1 1 24 18 16 o 14.54000 3.204000  -3.930000      6.408000  
1 1 1 24 18 18 o 55.76000 3.191000  18.37000       6.381000  
1 1 1 24 18 20 o 14.26000 2.943000  -1.314000      5.886000  
1 1 1 24 18 22 o 10.84000 2.419000  -0.5462000     4.839000  
1 1 1 24 18 24 o 51.52000 1.255000  0.9276000      2.511000  
1 1 1 24 18 26 o 31.20000 1.178000  -4.858000      2.356000  
1 1 1 24 18 28 o 26.59000 1.207000  -1.273000      2.415000  
1 1 1 24 18 30 o 52.45000 1.369000  ?              ?         
1 1 1 24 18 32 o 22.53000 3.627000  -12.34000      7.254000  
1 1 1 24 19 1  o 15.12000 1.912000  1.956000       3.825000  
1 1 1 24 19 3  o 21.29000 1.531000  3.419000       3.063000  
1 1 1 24 19 5  o 77.62000 1.247000  2.472000       2.493000  
1 1 1 24 19 7  o 35.95000 1.050000  0.7130000E-02  2.099000  
1 1 1 24 19 9  o 56.68000 1.251000  0.5041000      2.503000  
1 1 1 24 19 11 o 20.09000 1.643000  -1.224000      3.285000  
1 1 1 24 19 13 o 20.07000 1.890000  -1.753000      3.779000  
1 1 1 24 19 15 o 44.21000 1.404000  4.138000       2.809000  
1 1 1 24 19 17 o 66.88000 2.043000  -6.404000      4.085000  
1 1 1 24 19 19 f 9.085000 2.682000  3.533000       5.365000  
1 1 1 24 19 21 o 34.00000 1.314000  3.090000       2.627000  
1 1 1 24 19 23 o 24.82000 1.240000  -0.5895000     2.479000  
1 1 1 24 19 25 o 11.15000 2.262000  -0.2936000     4.523000  
1 1 1 24 19 27 f 23.99000 1.293000  -0.8796000     2.585000  
1 1 1 24 19 29 o 38.23000 1.157000  -6.096000      2.314000  
1 1 1 24 19 31 o 22.48000 1.524000  1.380000       3.049000  
1 1 1 24 19 33 o 9.098000 4.381000  ?              ?         
1 1 1 24 20 0  o 30.55000 1.311000  0.000000       0.000000  
1 1 1 24 20 2  o 44.20000 0.9672000 -2.708000      1.934000  
1 1 1 24 20 4  o 12.17000 2.069000  -1.691000      4.137000  
1 1 1 24 20 6  o 45.39000 1.009000  -0.7820000E-02 2.018000  
1 1 1 24 20 8  o 52.03000 1.063000  -4.922000      2.127000  
1 1 1 24 20 10 o 39.44000 1.346000  0.1488000      2.693000  
1 1 1 24 20 12 o 15.20000 2.269000  -1.756000      4.538000  
1 1 1 24 20 14 o 55.85000 1.483000  2.497000       2.966000  
1 1 1 24 20 16 o 33.95000 1.686000  -0.8992000     3.373000  
1 1 1 24 20 18 o 27.43000 4.351000  -17.03000      8.702000  
1 1 1 24 20 20 o 46.33000 1.486000  -0.7088000     2.971000  
1 1 1 24 20 22 o 20.25000 1.657000  -0.4870000     3.313000  
1 1 1 24 20 24 o 11.91000 2.291000  3.119000       4.581000  
1 1 1 24 20 26 o 18.07000 1.607000  -1.698000      3.214000  
1 1 1 24 20 28 o 39.26000 1.165000  -0.7099000     2.331000  
1 1 1 24 20 30 o 22.91000 1.483000  -1.041000      2.965000  
1 1 1 24 20 32 o 11.22000 3.510000  -5.455000      7.019000  
1 1 1 24 21 1  o 25.06000 1.236000  -0.2378000     2.472000  
1 1 1 24 21 3  o 25.28000 1.224000  -0.9317000     2.448000  
1 1 1 24 21 5  o 111.9000 1.921000  -5.214000      3.841000  
1 1 1 24 21 7  o 59.53000 1.221000  -3.508000      2.442000  
1 1 1 24 21 9  o 43.98000 1.394000  -3.900000      2.787000  
1 1 1 24 21 11 o 15.61000 2.456000  6.228000       4.912000  
1 1 1 24 21 13 o 60.79000 1.556000  5.428000       3.111000  
1 1 1 24 21 15 o 83.60000 1.996000  -0.5018000     3.992000  
1 1 1 24 21 17 o 52.35000 1.459000  -0.7101000     2.918000  
1 1 1 24 21 19 o 37.12000 3.439000  2.523000       6.879000  
1 1 1 24 21 21 o 35.90000 1.273000  0.2829000      2.546000  
1 1 1 24 21 23 o 20.65000 1.577000  3.955000       3.154000  
1 1 1 24 21 25 o 18.35000 1.742000  -3.219000      3.483000  
1 1 1 24 21 27 o 52.31000 1.222000  -1.091000      2.444000  
1 1 1 24 21 29 o 20.04000 1.734000  -4.763000      3.468000  
1 1 1 24 21 31 o 22.22000 2.990000  0.9737000      5.980000  
1 1 1 24 22 0  o 30.57000 1.615000  0.000000       0.000000  
1 1 1 24 22 2  o 12.31000 2.267000  0.5187000E-01  4.535000  
1 1 1 24 22 4  o 17.70000 1.814000  -0.8846000     3.627000  
1 1 1 24 22 6  o 51.03000 1.105000  -1.541000      2.210000  
1 1 1 24 22 8  o 44.11000 1.408000  -6.003000      2.816000  
1 1 1 24 22 10 o 6.573000 2.268000  3.038000       4.535000  
1 1 1 24 22 12 o 36.32000 1.670000  5.182000       3.340000  
1 1 1 24 22 14 o 40.44000 1.667000  4.401000       3.334000  
1 1 1 24 22 16 o 8.805000 2.371000  -4.047000      4.742000  
1 1 1 24 22 18 o 22.11000 1.769000  0.6350000      3.539000  
1 1 1 24 22 20 o 15.59000 3.911000  6.741000       7.823000  
1 1 1 24 22 22 o 36.61000 1.233000  1.530000       2.465000  
1 1 1 24 22 24 o 17.12000 1.779000  -1.661000      3.557000  
1 1 1 24 22 26 o 25.07000 1.330000  1.538000       2.659000  
1 1 1 24 22 28 o 11.17000 3.575000  4.327000       7.149000  
1 1 1 24 22 30 o 36.74000 2.284000  -1.601000      4.568000  
1 1 1 24 23 1  o 24.62000 1.506000  -0.4290000     3.012000  
1 1 1 24 23 3  o 6.949000 2.207000  1.508000       4.414000  
1 1 1 24 23 5  o 9.154000 2.503000  0.7940000      5.005000  
1 1 1 24 23 7  o 36.56000 5.388000  -12.40000      10.78000  
1 1 1 24 23 9  o 71.43000 1.799000  1.728000       3.599000  
1 1 1 24 23 11 o 19.78000 2.911000  -8.987000      5.822000  
1 1 1 24 23 13 o 42.32000 1.552000  -0.2931000     3.105000  
1 1 1 24 23 15 o 26.49000 1.659000  -1.396000      3.318000  
1 1 1 24 23 17 o 23.73000 1.618000  2.284000       3.237000  
1 1 1 24 23 19 o 21.30000 1.706000  -1.289000      3.411000  
1 1 1 24 23 21 o 27.41000 4.810000  -4.003000      9.620000  
1 1 1 24 23 23 o 35.88000 1.242000  -3.156000      2.485000  
1 1 1 24 23 25 o 10.58000 2.426000  -0.4127000     4.851000  
1 1 1 24 23 27 f 14.74000 1.994000  -5.365000      3.987000  
1 1 1 24 23 29 o 36.01000 2.584000  4.395000       5.168000  
1 1 1 24 24 0  o 8.494000 3.714000  0.000000       0.000000  
1 1 1 24 24 2  o 27.03000 1.710000  -0.4077000E-01 3.420000  
1 1 1 24 24 4  o 14.81000 3.410000  4.835000       6.819000  
1 1 1 24 24 6  o 54.62000 1.454000  -3.466000      2.908000  
1 1 1 24 24 8  o 40.88000 1.866000  -2.024000      3.731000  
1 1 1 24 24 10 o 16.66000 3.134000  3.634000       6.268000  
1 1 1 24 24 12 f 22.94000 2.127000  -4.128000      4.255000  
1 1 1 24 24 14 o 31.85000 1.496000  1.881000       2.993000  
1 1 1 24 24 16 o 15.64000 2.473000  -0.2489000     4.946000  
1 1 1 24 24 18 f 25.39000 1.821000  3.401000       3.643000  
1 1 1 24 24 20 o 16.86000 2.107000  0.2482000      4.213000  
1 1 1 24 24 22 o 17.21000 3.454000  -3.591000      6.909000  
1 1 1 24 24 24 o 33.25000 1.278000  -1.656000      2.556000  
1 1 1 24 24 26 o 50.64000 1.305000  -2.191000      2.610000  
1 1 1 24 24 28 f 44.61000 2.263000  4.244000       4.525000  
1 1 1 24 25 1  o 43.34000 1.585000  -1.300000      3.170000  
1 1 1 24 25 3  o 51.62000 1.445000  -0.8939000E-01 2.891000  
1 1 1 24 25 5  f 13.39000 3.377000  6.154000       6.754000  
1 1 1 24 25 7  o 53.51000 1.893000  7.624000       3.785000  
1 1 1 24 25 9  o 52.81000 1.506000  2.278000       3.011000  
1 1 1 24 25 11 o 30.99000 1.548000  1.900000       3.096000  
1 1 1 24 25 13 o 13.17000 2.735000  -0.5768000     5.470000  
1 1 1 24 25 15 o 25.33000 1.724000  -4.023000      3.447000  
1 1 1 24 25 17 o 36.56000 1.438000  0.2276000      2.876000  
1 1 1 24 25 19 o 8.917000 2.434000  -0.2152000     4.868000  
1 1 1 24 25 21 o 21.17000 1.690000  0.4553000      3.380000  
1 1 1 24 25 23 o 38.72000 3.197000  -8.146000      6.395000  
1 1 1 24 25 25 o 10.28000 2.699000  0.6544000      5.397000  
1 1 1 24 25 27 o 21.75000 3.466000  ?              ?         
1 1 1 24 26 0  o 6.085000 2.935000  0.000000       0.000000  
1 1 1 24 26 2  o 5.923000 2.066000  0.6818000      4.132000  
1 1 1 24 26 4  o 24.63000 2.865000  -3.115000      5.730000  
1 1 1 24 26 6  o 35.33000 2.016000  8.815000       4.031000  
1 1 1 24 26 8  o 30.40000 1.820000  1.382000       3.641000  
1 1 1 24 26 10 f 18.82000 2.178000  5.309000       4.357000  
1 1 1 24 26 12 o 22.50000 2.043000  -2.047000      4.086000  
1 1 1 24 26 14 o 9.339000 2.646000  1.858000       5.291000  
1 1 1 24 26 16 o 33.52000 1.476000  -3.333000      2.952000  
1 1 1 24 26 18 o 22.82000 1.768000  0.6401000E-02  3.536000  
1 1 1 24 26 20 o 16.24000 2.436000  0.7396000      4.872000  
1 1 1 24 26 22 o 14.42000 3.495000  0.1933000      6.991000  
1 1 1 24 26 24 o 9.706000 2.410000  -3.966000      4.820000  
1 1 1 24 26 26 o 31.22000 2.227000  12.30000       4.453000  
1 1 1 24 27 1  o 14.97000 3.170000  3.987000       6.339000  
1 1 1 24 27 3  o 32.52000 1.758000  4.676000       3.517000  
1 1 1 24 27 5  o 26.70000 2.031000  1.425000       4.063000  
1 1 1 24 27 7  o 11.22000 2.999000  2.504000       5.999000  
1 1 1 24 27 9  o 22.52000 2.238000  3.170000       4.475000  
1 1 1 24 27 11 o 31.89000 1.566000  -1.712000      3.132000  
1 1 1 24 27 13 o 22.15000 1.973000  -2.200000      3.946000  
1 1 1 24 27 15 o 9.545000 2.705000  1.404000       5.409000  
1 1 1 24 27 17 o 8.829000 2.588000  2.558000       5.176000  
1 1 1 24 27 19 o 9.470000 2.609000  0.5168000      5.218000  
1 1 1 24 27 21 o 25.15000 1.954000  -5.746000      3.907000  
1 1 1 24 27 23 o 13.18000 3.732000  0.8348000      7.464000  
1 1 1 24 27 25 o 16.98000 3.409000  8.402000       6.819000  
1 1 1 24 28 0  o 8.597000 3.993000  0.000000       0.000000  
1 1 1 24 28 2  o 27.72000 2.037000  3.563000       4.073000  
1 1 1 24 28 4  o 31.84000 1.632000  2.248000       3.265000  
1 1 1 24 28 6  o 28.64000 1.799000  -0.9238000     3.597000  
1 1 1 24 28 8  o 35.02000 1.744000  -1.466000      3.489000  
1 1 1 24 28 10 o 35.90000 1.633000  -2.349000      3.267000  
1 1 1 24 28 12 o 24.81000 1.723000  -1.416000      3.445000  
1 1 1 24 28 14 o 24.25000 1.796000  2.833000       3.593000  
1 1 1 24 28 16 o 52.45000 1.380000  3.470000       2.759000  
1 1 1 24 28 18 o 35.61000 1.561000  -2.407000      3.121000  
1 1 1 24 28 20 o 43.21000 1.437000  -4.653000      2.874000  
1 1 1 24 28 22 o 62.70000 1.907000  3.140000       3.814000  
1 1 1 24 28 24 o 10.14000 3.092000  -0.1427000     6.184000  
1 1 1 24 29 1  o 13.59000 3.196000  -2.636000      6.392000  
1 1 1 24 29 3  o 34.53000 1.679000  2.722000       3.359000  
1 1 1 24 29 5  o 8.516000 2.650000  1.458000       5.301000  
1 1 1 24 29 7  o 13.97000 3.764000  3.929000       7.528000  
1 1 1 24 29 9  o 42.08000 1.517000  -3.086000      3.034000  
1 1 1 24 29 11 o 30.48000 1.797000  -0.9924000     3.594000  
1 1 1 24 29 13 o 20.17000 2.323000  -2.209000      4.645000  
1 1 1 24 29 15 o 12.72000 3.070000  -0.8755000     6.139000  
1 1 1 24 29 17 o 20.21000 2.363000  -0.6447000     4.725000  
1 1 1 24 29 19 o 17.60000 2.811000  -1.028000      5.622000  
1 1 1 24 29 21 o 32.48000 1.577000  -1.190000      3.155000  
1 1 1 24 29 23 o 15.98000 3.883000  -8.627000      7.767000  
1 1 1 24 30 0  o 14.31000 4.448000  0.000000       0.000000  
1 1 1 24 30 2  o 12.75000 3.232000  1.435000       6.464000  
1 1 1 24 30 4  o 15.08000 2.715000  -5.886000      5.429000  
1 1 1 24 30 6  o 13.49000 2.977000  4.223000       5.954000  
1 1 1 24 30 8  o 11.01000 2.919000  5.526000       5.838000  
1 1 1 24 30 10 o 36.05000 1.590000  1.648000       3.180000  
1 1 1 24 30 12 o 65.65000 1.354000  0.9772000      2.708000  
1 1 1 24 30 14 o 38.28000 1.519000  2.372000       3.038000  
1 1 1 24 30 16 o 8.931000 2.718000  1.839000       5.436000  
1 1 1 24 30 18 o 19.89000 2.620000  3.859000       5.240000  
1 1 1 24 30 20 o 38.51000 1.642000  0.6139000      3.283000  
1 1 1 24 31 1  o 60.59000 1.300000  0.3238000      2.600000  
1 1 1 24 31 3  o 10.94000 3.098000  -2.106000      6.197000  
1 1 1 24 31 5  o 16.93000 2.793000  -0.2927000     5.586000  
1 1 1 24 31 7  o 24.81000 2.041000  3.089000       4.083000  
1 1 1 24 31 9  o 10.71000 2.942000  2.613000       5.884000  
1 1 1 24 31 11 o 11.81000 3.000000  3.158000       5.999000  
1 1 1 24 31 13 o 24.04000 2.257000  -5.291000      4.514000  
1 1 1 24 31 15 o 10.30000 2.885000  1.678000       5.771000  
1 1 1 24 31 17 o 16.31000 2.804000  2.623000       5.608000  
1 1 1 24 31 19 o 8.284000 3.748000  ?              ?         
1 1 1 24 32 0  o 30.63000 2.464000  0.000000       0.000000  
1 1 1 24 32 2  o 16.29000 2.948000  -1.081000      5.896000  
1 1 1 24 32 4  o 9.967000 2.893000  -3.548000      5.786000  
1 1 1 24 32 6  o 15.47000 3.811000  3.552000       7.621000  
1 1 1 24 32 8  o 24.18000 2.717000  5.018000       5.435000  
1 1 1 24 32 10 o 21.28000 2.840000  1.408000       5.680000  
1 1 1 24 32 12 o 14.17000 2.987000  0.7864000E-01  5.974000  
1 1 1 24 32 14 f 7.255000 2.380000  0.4818000      4.760000  
1 1 1 24 32 16 o 32.12000 1.737000  1.187000       3.474000  
1 1 1 24 33 1  f 17.48000 3.076000  0.4025000      6.152000  
1 1 1 24 33 3  o 19.97000 2.809000  1.227000       5.618000  
1 1 1 24 33 5  o 18.47000 2.975000  2.089000       5.950000  
1 1 1 24 33 7  o 21.19000 3.736000  -4.772000      7.472000  
1 1 1 24 33 9  o 13.12000 3.502000  7.139000       7.004000  
1 1 1 24 33 11 o 8.043000 2.536000  -0.9342000     5.073000  
1 1 1 24 33 13 o 24.65000 3.237000  ?              ?         
1 1 1 24 33 15 o 7.207000 2.436000  0.6368000      4.872000  
1 1 1 24 34 0  o 9.205000 4.180000  0.000000       0.000000  
1 1 1 24 34 2  o 9.938000 3.058000  0.1642000      6.116000  
1 1 1 24 34 4  o 8.796000 2.808000  -1.477000      5.615000  
1 1 1 24 34 6  o 9.063000 2.980000  0.1950000      5.960000  
1 1 1 24 34 8  o 14.47000 2.736000  -8.702000      5.473000  
1 1 1 24 34 12 o 10.41000 3.122000  1.509000       6.243000  
1 1 1 24 35 1  o 25.53000 1.921000  0.4349000      3.843000  
1 1 1 24 35 3  o 31.87000 2.213000  -0.5519000     4.426000  
1 1 1 24 35 5  o 36.70000 2.347000  -7.465000      4.694000  
1 1 1 24 35 7  o 15.24000 3.273000  -8.884000      6.546000  
1 1 1 24 35 9  o 9.148000 2.916000  -0.2900000     5.833000  
1 1 1 24 36 0  o 8.465000 3.823000  0.000000       0.000000  
1 1 1 24 36 2  o 10.38000 4.082000  ?              ?         
1 1 1 25 0  1  o 29.72000 0.9644000 0.000000       0.000000  
1 1 1 25 0  3  o 42.26000 1.000000  0.000000       0.000000  
1 1 1 25 0  5  o 25.95000 0.9869000 0.000000       0.000000  
1 1 1 25 0  7  o 46.45000 1.049000  0.000000       0.000000  
1 1 1 25 0  9  o 12.58000 1.612000  0.000000       0.000000  
1 1 1 25 0  11 o 17.46000 1.237000  0.000000       0.000000  
1 1 1 25 0  13 f 18.02000 1.362000  0.000000       0.000000  
1 1 1 25 0  15 o 26.11000 1.066000  0.000000       0.000000  
1 1 1 25 0  17 o 23.10000 1.228000  0.000000       0.000000  
1 1 1 25 0  19 o 8.530000 2.549000  0.000000       0.000000  
1 1 1 25 0  21 o 36.39000 1.343000  0.000000       0.000000  
1 1 1 25 0  23 o 30.30000 1.409000  0.000000       0.000000  
1 1 1 25 0  25 f 13.90000 3.734000  0.000000       0.000000  
1 1 1 25 0  27 o 8.168000 3.287000  0.000000       0.000000  
1 1 1 25 0  29 o 30.82000 1.419000  0.000000       0.000000  
1 1 1 25 0  31 o 22.78000 1.718000  0.000000       0.000000  
1 1 1 25 0  33 o 27.71000 1.514000  0.000000       0.000000  
1 1 1 25 0  35 o 11.53000 3.083000  0.000000       0.000000  
1 1 1 25 1  0  o 39.41000 0.9757000 0.000000       0.000000  
1 1 1 25 1  2  o 71.10000 0.9760000 1.279000       1.952000  
1 1 1 25 1  4  o 40.91000 0.7074000 -0.9087000     1.415000  
1 1 1 25 1  6  o 24.41000 0.8627000 0.4764000      1.725000  
1 1 1 25 1  8  o 35.10000 0.6880000 -0.4837000     1.376000  
1 1 1 25 1  10 o 23.04000 0.7434000 -0.6435000     1.487000  
1 1 1 25 1  12 f 25.89000 0.7675000 -0.1815000     1.535000  
1 1 1 25 1  14 o 8.161000 1.839000  -0.8280000     3.678000  
1 1 1 25 1  16 o 28.97000 0.7807000 0.6181000      1.561000  
1 1 1 25 1  18 o 47.94000 0.8613000 1.345000       1.723000  
1 1 1 25 1  20 o 10.47000 1.959000  -0.7350000     3.917000  
1 1 1 25 1  22 o 21.13000 1.279000  1.947000       2.558000  
1 1 1 25 1  24 o 14.64000 2.169000  -1.281000      4.338000  
1 1 1 25 1  26 o 57.34000 1.202000  1.344000       2.405000  
1 1 1 25 1  28 o 32.76000 1.012000  1.850000       2.024000  
1 1 1 25 1  30 o 11.98000 2.185000  0.7702000      4.369000  
1 1 1 25 1  32 o 8.847000 2.158000  -0.8501000     4.315000  
1 1 1 25 1  34 o 11.38000 2.260000  0.5866000      4.520000  
1 1 1 25 1  36 o 14.22000 2.870000  4.948000       5.740000  
1 1 1 25 2  1  o 80.17000 1.076000  0.2875000      2.152000  
1 1 1 25 2  3  o 32.89000 0.6792000 -0.5309000     1.358000  
1 1 1 25 2  5  o 37.37000 0.6868000 -0.2224000     1.374000  
1 1 1 25 2  7  o 27.81000 0.7521000 -0.7521000     1.504000  
1 1 1 25 2  9  o 62.41000 0.8815000 -0.3097000     1.763000  
1 1 1 25 2  11 o 39.35000 0.7432000 0.2741000      1.486000  
1 1 1 25 2  13 o 47.78000 0.7917000 -0.4448000     1.583000  
1 1 1 25 2  15 o 36.23000 0.7456000 2.097000       1.491000  
1 1 1 25 2  17 o 27.26000 0.8071000 -2.105000      1.614000  
1 1 1 25 2  19 o 11.25000 1.512000  1.352000       3.024000  
1 1 1 25 2  21 o 24.54000 1.200000  1.559000       2.400000  
1 1 1 25 2  23 o 31.81000 1.063000  -1.105000      2.127000  
1 1 1 25 2  25 o 48.14000 1.173000  0.2919000      2.346000  
1 1 1 25 2  27 o 34.09000 1.117000  -1.398000      2.235000  
1 1 1 25 2  29 o 10.72000 2.134000  -0.6051000     4.268000  
1 1 1 25 2  31 o 19.64000 1.608000  -2.375000      3.216000  
1 1 1 25 2  33 o 21.21000 1.476000  0.9497000      2.951000  
1 1 1 25 2  35 o 15.74000 2.191000  0.7209000      4.381000  
1 1 1 25 2  37 f 7.870000 3.806000  ?              ?         
1 1 1 25 3  0  o 56.59000 1.165000  0.000000       0.000000  
1 1 1 25 3  2  o 52.18000 0.7845000 -0.9858000     1.569000  
1 1 1 25 3  4  o 33.08000 0.7652000 0.6031000E-01  1.530000  
1 1 1 25 3  6  o 55.05000 0.8089000 0.2703000      1.618000  
1 1 1 25 3  8  o 57.10000 0.8311000 -0.9407000     1.662000  
1 1 1 25 3  10 o 69.72000 1.005000  -3.021000      2.010000  
1 1 1 25 3  12 o 27.51000 0.7693000 -0.1046000     1.539000  
1 1 1 25 3  14 o 24.48000 0.7979000 -0.9681000     1.596000  
1 1 1 25 3  16 o 49.12000 0.9139000 0.2697000      1.828000  
1 1 1 25 3  18 o 16.96000 1.129000  0.6702000      2.258000  
1 1 1 25 3  20 o 25.91000 1.117000  -1.580000      2.235000  
1 1 1 25 3  22 o 37.36000 1.072000  -2.276000      2.145000  
1 1 1 25 3  24 o 46.15000 1.078000  -1.589000      2.155000  
1 1 1 25 3  26 o 69.99000 1.198000  0.7796000      2.396000  
1 1 1 25 3  28 o 37.25000 1.257000  0.3205000      2.514000  
1 1 1 25 3  30 f 47.86000 1.087000  4.340000       2.175000  
1 1 1 25 3  32 o 15.56000 2.082000  2.335000       4.164000  
1 1 1 25 3  34 o 17.68000 1.541000  1.355000       3.083000  
1 1 1 25 3  36 o 34.73000 1.451000  -1.197000      2.901000  
1 1 1 25 4  1  o 65.83000 0.9178000 0.1060000      1.836000  
1 1 1 25 4  3  o 32.82000 0.6799000 1.158000       1.360000  
1 1 1 25 4  5  o 50.03000 0.7635000 -0.7177000     1.527000  
1 1 1 25 4  7  o 22.47000 0.9358000 0.7333000      1.872000  
1 1 1 25 4  9  o 34.00000 0.7409000 2.123000       1.482000  
1 1 1 25 4  11 o 30.37000 0.7452000 -0.8977000     1.490000  
1 1 1 25 4  13 o 37.72000 0.7589000 -2.507000      1.518000  
1 1 1 25 4  15 o 17.20000 1.001000  1.076000       2.002000  
1 1 1 25 4  17 o 18.52000 1.042000  -1.204000      2.084000  
1 1 1 25 4  19 o 30.49000 0.9643000 0.7737000      1.929000  
1 1 1 25 4  21 o 21.65000 1.133000  1.098000       2.267000  
1 1 1 25 4  23 o 29.12000 1.013000  2.090000       2.025000  
1 1 1 25 4  25 o 17.21000 1.929000  -0.8426000     3.857000  
1 1 1 25 4  27 o 16.54000 1.796000  0.4108000E-01  3.593000  
1 1 1 25 4  29 o 20.50000 1.624000  2.359000       3.247000  
1 1 1 25 4  31 o 7.353000 2.123000  0.5152000      4.246000  
1 1 1 25 4  33 o 21.40000 1.266000  0.1084000      2.532000  
1 1 1 25 4  35 o 25.77000 1.272000  2.104000       2.543000  
1 1 1 25 4  37 o 10.38000 3.271000  0.7543000      6.542000  
1 1 1 25 5  0  o 45.26000 1.022000  0.000000       0.000000  
1 1 1 25 5  2  o 29.10000 0.6956000 -0.2443000     1.391000  
1 1 1 25 5  4  o 66.50000 0.9295000 -2.332000      1.859000  
1 1 1 25 5  6  f 29.18000 0.7620000 0.9036000      1.524000  
1 1 1 25 5  8  o 45.66000 0.7823000 -0.9972000     1.565000  
1 1 1 25 5  10 o 54.13000 0.8487000 -0.3889000     1.697000  
1 1 1 25 5  12 o 53.22000 0.8448000 1.248000       1.690000  
1 1 1 25 5  14 o 13.71000 1.259000  -0.2663000     2.517000  
1 1 1 25 5  16 o 27.52000 0.8886000 -0.5371000     1.777000  
1 1 1 25 5  18 o 13.66000 1.430000  2.988000       2.859000  
1 1 1 25 5  20 o 25.86000 1.154000  0.6039000      2.308000  
1 1 1 25 5  22 o 36.19000 1.078000  -1.672000      2.155000  
1 1 1 25 5  24 o 28.72000 1.616000  -0.2691000     3.231000  
1 1 1 25 5  26 o 50.11000 1.126000  -0.2795000     2.253000  
1 1 1 25 5  28 o 18.90000 1.555000  0.6936000      3.110000  
1 1 1 25 5  30 f 41.89000 0.9532000 0.6110000      1.906000  
1 1 1 25 5  32 f 14.56000 1.795000  0.2269000      3.591000  
1 1 1 25 5  34 o 8.329000 2.184000  0.1257000      4.369000  
1 1 1 25 5  36 o 19.07000 2.715000  3.786000       5.429000  
1 1 1 25 6  1  o 38.68000 0.6984000 -0.1703000     1.397000  
1 1 1 25 6  3  o 48.99000 0.9017000 -0.4587000     1.803000  
1 1 1 25 6  5  o 37.72000 0.7492000 -0.5660000     1.498000  
1 1 1 25 6  7  o 59.84000 0.9065000 -0.9782000     1.813000  
1 1 1 25 6  9  o 51.06000 0.9450000 -1.630000      1.890000  
1 1 1 25 6  11 o 5.794000 1.686000  -0.3143000     3.371000  
1 1 1 25 6  13 o 6.953000 1.776000  0.1616000      3.552000  
1 1 1 25 6  15 o 27.19000 0.9025000 -0.6162000     1.805000  
1 1 1 25 6  17 o 45.62000 0.9098000 -2.007000      1.820000  
1 1 1 25 6  19 o 48.79000 0.9882000 0.7083000      1.976000  
1 1 1 25 6  21 o 12.68000 1.872000  -0.4316000     3.743000  
1 1 1 25 6  23 o 12.43000 2.379000  0.3122000      4.758000  
1 1 1 25 6  25 o 7.143000 2.240000  0.5122000      4.480000  
1 1 1 25 6  27 o 34.33000 1.135000  -1.433000      2.270000  
1 1 1 25 6  29 o 28.53000 0.9894000 1.924000       1.979000  
1 1 1 25 6  31 o 32.26000 0.9619000 2.339000       1.924000  
1 1 1 25 6  33 o 6.870000 2.042000  -0.6928000     4.083000  
1 1 1 25 6  35 o 23.77000 1.387000  2.865000       2.773000  
1 1 1 25 7  0  o 43.58000 1.267000  0.000000       0.000000  
1 1 1 25 7  2  o 62.19000 1.085000  -0.1565000     2.171000  
1 1 1 25 7  4  o 34.39000 0.7502000 0.1171000E-01  1.500000  
1 1 1 25 7  6  o 12.69000 1.364000  0.8599000E-01  2.729000  
1 1 1 25 7  8  o 34.80000 0.7480000 0.9809000E-01  1.496000  
1 1 1 25 7  10 o 5.487000 1.654000  -1.059000      3.307000  
1 1 1 25 7  12 o 30.36000 0.7830000 0.6334000      1.566000  
1 1 1 25 7  14 o 6.755000 1.886000  -2.921000      3.772000  
1 1 1 25 7  16 o 21.03000 1.054000  -2.753000      2.108000  
1 1 1 25 7  18 f 17.06000 1.361000  -0.8010000     2.723000  
1 1 1 25 7  20 o 34.94000 0.9848000 -3.335000      1.970000  
1 1 1 25 7  22 o 34.70000 1.204000  -0.4948000     2.409000  
1 1 1 25 7  24 f 52.17000 1.117000  -0.9421000     2.235000  
1 1 1 25 7  26 o 26.28000 1.547000  5.504000       3.093000  
1 1 1 25 7  28 o 65.16000 1.026000  -0.2350000     2.052000  
1 1 1 25 7  30 o 20.19000 1.157000  -1.051000      2.313000  
1 1 1 25 7  32 o 20.98000 1.300000  2.040000       2.599000  
1 1 1 25 7  34 o 21.76000 1.722000  4.047000       3.445000  
1 1 1 25 7  36 o 23.38000 2.426000  -4.898000      4.852000  
1 1 1 25 8  1  o 16.30000 1.253000  -1.893000      2.505000  
1 1 1 25 8  3  o 33.23000 0.7744000 0.4153000      1.549000  
1 1 1 25 8  5  o 20.84000 0.9056000 -1.442000      1.811000  
1 1 1 25 8  7  o 24.50000 0.8552000 -0.3103000E-01 1.710000  
1 1 1 25 8  9  o 11.53000 1.676000  -0.1735000     3.351000  
1 1 1 25 8  11 o 26.17000 0.8254000 0.4874000      1.651000  
1 1 1 25 8  13 o 18.31000 1.002000  0.8081000      2.003000  
1 1 1 25 8  15 o 6.667000 1.866000  -1.771000      3.731000  
1 1 1 25 8  17 o 25.72000 1.037000  3.678000       2.073000  
1 1 1 25 8  19 o 23.47000 1.098000  -0.8000000     2.196000  
1 1 1 25 8  21 o 51.32000 0.9847000 1.443000       1.969000  
1 1 1 25 8  23 o 43.38000 1.341000  1.598000       2.682000  
1 1 1 25 8  25 o 25.76000 1.257000  0.5999000E-01  2.514000  
1 1 1 25 8  27 o 35.63000 0.9077000 -4.723000      1.815000  
1 1 1 25 8  29 o 22.24000 1.118000  1.114000       2.237000  
1 1 1 25 8  31 o 31.81000 0.9405000 0.2050000      1.881000  
1 1 1 25 8  33 o 17.01000 2.031000  2.621000       4.062000  
1 1 1 25 8  35 o 18.48000 1.922000  1.217000       3.845000  
1 1 1 25 9  0  o 6.729000 2.609000  0.000000       0.000000  
1 1 1 25 9  2  o 75.91000 1.052000  -1.535000      2.103000  
1 1 1 25 9  4  o 37.38000 0.7797000 1.411000       1.559000  
1 1 1 25 9  6  f 28.02000 0.8143000 0.2217000      1.629000  
1 1 1 25 9  8  o 7.172000 1.839000  -1.281000      3.678000  
1 1 1 25 9  10 o 15.83000 1.235000  1.482000       2.470000  
1 1 1 25 9  12 o 40.89000 0.7886000 -0.4940000E-01 1.577000  
1 1 1 25 9  14 o 56.34000 1.050000  -1.967000      2.100000  
1 1 1 25 9  16 f 10.23000 1.692000  4.768000       3.384000  
1 1 1 25 9  18 o 15.25000 1.726000  0.9787000      3.452000  
1 1 1 25 9  20 o 13.48000 1.670000  -1.128000      3.340000  
1 1 1 25 9  22 o 28.02000 1.368000  -3.172000      2.736000  
1 1 1 25 9  24 f 31.62000 1.403000  -0.9217000     2.807000  
1 1 1 25 9  26 o 15.98000 1.503000  -1.280000      3.006000  
1 1 1 25 9  28 o 28.67000 0.9758000 2.529000       1.952000  
1 1 1 25 9  30 o 41.45000 0.9103000 2.060000       1.821000  
1 1 1 25 9  32 o 28.90000 1.058000  4.185000       2.116000  
1 1 1 25 9  34 o 19.53000 1.614000  5.378000       3.229000  
1 1 1 25 9  36 o 10.19000 4.341000  ?              ?         
1 1 1 25 10 1  o 7.227000 1.907000  2.759000       3.814000  
1 1 1 25 10 3  o 36.45000 0.7640000 0.5883000      1.528000  
1 1 1 25 10 5  o 64.15000 1.007000  -0.5795000     2.015000  
1 1 1 25 10 7  f 86.47000 1.207000  -1.950000      2.415000  
1 1 1 25 10 9  o 24.11000 0.8560000 -2.590000      1.712000  
1 1 1 25 10 11 o 19.71000 0.9643000 -0.3587000     1.929000  
1 1 1 25 10 13 o 17.22000 1.271000  -2.128000      2.542000  
1 1 1 25 10 15 o 58.85000 1.074000  -2.374000      2.148000  
1 1 1 25 10 17 o 15.82000 1.536000  1.141000       3.072000  
1 1 1 25 10 19 o 36.26000 1.094000  2.209000       2.188000  
1 1 1 25 10 21 o 16.29000 1.951000  -3.294000      3.902000  
1 1 1 25 10 23 o 70.38000 1.364000  -0.6332000     2.728000  
1 1 1 25 10 25 o 27.82000 1.518000  -0.4763000     3.037000  
1 1 1 25 10 27 o 25.45000 1.030000  -0.3529000     2.061000  
1 1 1 25 10 29 o 40.31000 0.8854000 -1.539000      1.771000  
1 1 1 25 10 31 f 38.95000 0.9315000 -0.1516000     1.863000  
1 1 1 25 10 33 o 13.17000 2.313000  -1.509000      4.627000  
1 1 1 25 10 35 o 27.61000 1.570000  -1.137000      3.141000  
1 1 1 25 11 0  o 69.57000 1.574000  0.000000       0.000000  
1 1 1 25 11 2  o 48.15000 0.8045000 0.6856000      1.609000  
1 1 1 25 11 4  o 8.325000 1.888000  -0.1039000     3.776000  
1 1 1 25 11 6  o 30.22000 0.8437000 2.610000       1.687000  
1 1 1 25 11 8  o 44.80000 0.8051000 -0.3780000     1.610000  
1 1 1 25 11 10 o 42.22000 1.018000  -0.6755000     2.036000  
1 1 1 25 11 12 o 31.81000 0.9684000 -0.3674000     1.937000  
1 1 1 25 11 14 o 35.24000 0.9680000 -1.859000      1.936000  
1 1 1 25 11 16 o 35.68000 0.9512000 -5.456000      1.902000  
1 1 1 25 11 18 o 26.54000 1.152000  -2.509000      2.304000  
1 1 1 25 11 20 o 36.92000 0.9518000 -1.234000      1.904000  
1 1 1 25 11 22 o 16.21000 2.506000  5.015000       5.013000  
1 1 1 25 11 24 o 52.07000 1.064000  2.447000       2.128000  
1 1 1 25 11 26 o 47.54000 0.9816000 -2.869000      1.963000  
1 1 1 25 11 28 o 49.40000 0.9129000 -1.947000      1.826000  
1 1 1 25 11 30 o 7.305000 2.011000  -2.276000      4.023000  
1 1 1 25 11 32 o 29.53000 1.014000  0.4955000      2.028000  
1 1 1 25 11 34 o 35.20000 1.760000  11.00000       3.520000  
1 1 1 25 12 1  o 10.66000 1.795000  -1.596000      3.589000  
1 1 1 25 12 3  o 25.35000 0.8519000 0.3340000      1.704000  
1 1 1 25 12 5  o 35.99000 0.7771000 -0.4396000     1.554000  
1 1 1 25 12 7  o 17.95000 1.084000  -1.091000      2.168000  
1 1 1 25 12 9  o 27.28000 0.9013000 0.1451000      1.803000  
1 1 1 25 12 11 f 39.84000 0.9676000 -2.230000      1.935000  
1 1 1 25 12 13 o 5.905000 1.716000  0.4644000      3.432000  
1 1 1 25 12 15 o 25.90000 1.045000  1.039000       2.091000  
1 1 1 25 12 17 o 22.07000 1.356000  2.036000       2.712000  
1 1 1 25 12 19 o 17.17000 2.009000  -4.414000      4.019000  
1 1 1 25 12 21 o 22.53000 2.042000  -0.5618000E-01 4.084000  
1 1 1 25 12 23 o 7.762000 2.364000  -2.944000      4.729000  
1 1 1 25 12 25 o 65.62000 1.069000  1.257000       2.138000  
1 1 1 25 12 27 o 20.97000 1.381000  2.056000       2.763000  
1 1 1 25 12 29 o 24.75000 1.063000  1.806000       2.125000  
1 1 1 25 12 31 o 6.623000 1.964000  -0.4033000     3.928000  
1 1 1 25 12 33 o 23.45000 1.288000  2.676000       2.575000  
1 1 1 25 12 35 o 13.47000 5.575000  ?              ?         
1 1 1 25 13 0  o 44.34000 1.120000  0.000000       0.000000  
1 1 1 25 13 2  o 23.94000 0.9299000 -2.023000      1.860000  
1 1 1 25 13 4  o 70.77000 1.003000  1.737000       2.005000  
1 1 1 25 13 6  o 54.16000 0.9246000 0.3582000      1.849000  
1 1 1 25 13 8  o 62.75000 1.004000  0.1688000      2.008000  
1 1 1 25 13 10 o 8.404000 2.097000  -0.4575000     4.193000  
1 1 1 25 13 12 o 5.992000 1.782000  -0.4396000     3.563000  
1 1 1 25 13 14 o 8.655000 2.094000  -0.4039000     4.187000  
1 1 1 25 13 16 o 13.37000 1.763000  -0.3371000E-01 3.527000  
1 1 1 25 13 18 f 34.84000 1.205000  -2.495000      2.410000  
1 1 1 25 13 20 o 46.65000 1.251000  -3.656000      2.502000  
1 1 1 25 13 22 o 30.02000 1.422000  0.5114000      2.844000  
1 1 1 25 13 24 o 6.566000 2.005000  -1.988000      4.010000  
1 1 1 25 13 26 o 31.32000 0.9434000 0.2558000      1.887000  
1 1 1 25 13 28 o 29.90000 0.9640000 1.586000       1.928000  
1 1 1 25 13 30 o 45.83000 0.9306000 1.385000       1.861000  
1 1 1 25 13 32 f 17.31000 1.888000  2.388000       3.777000  
1 1 1 25 13 34 o 18.52000 2.949000  8.295000       5.899000  
1 1 1 25 14 1  o 52.60000 0.9226000 -2.701000      1.845000  
1 1 1 25 14 3  o 34.99000 0.7839000 0.7168000      1.568000  
1 1 1 25 14 5  o 16.32000 1.400000  0.4301000      2.801000  
1 1 1 25 14 7  o 21.85000 1.067000  -0.8361000     2.134000  
1 1 1 25 14 9  o 26.16000 1.021000  1.067000       2.043000  
1 1 1 25 14 11 f 6.971000 1.924000  -1.717000      3.847000  
1 1 1 25 14 13 f 40.41000 1.016000  -2.363000      2.032000  
1 1 1 25 14 15 o 26.09000 1.047000  0.8404000      2.095000  
1 1 1 25 14 17 o 40.98000 1.011000  -1.482000      2.022000  
1 1 1 25 14 19 o 47.43000 1.164000  -0.1028000     2.329000  
1 1 1 25 14 21 o 52.29000 1.249000  3.195000       2.498000  
1 1 1 25 14 23 o 10.84000 2.742000  -2.698000      5.485000  
1 1 1 25 14 25 o 13.00000 1.950000  3.326000       3.901000  
1 1 1 25 14 27 o 7.536000 2.040000  -0.5636000     4.080000  
1 1 1 25 14 29 o 14.06000 1.932000  0.1588000      3.863000  
1 1 1 25 14 31 o 18.50000 1.828000  -0.8674000     3.657000  
1 1 1 25 14 33 f 29.15000 1.538000  -1.009000      3.077000  
1 1 1 25 15 0  o 14.63000 2.651000  0.000000       0.000000  
1 1 1 25 15 2  o 40.30000 0.9159000 1.066000       1.832000  
1 1 1 25 15 4  o 26.11000 1.000000  -0.7188000     2.001000  
1 1 1 25 15 6  f 11.86000 1.913000  0.1414000      3.827000  
1 1 1 25 15 8  o 42.57000 0.8194000 0.1113000      1.639000  
1 1 1 25 15 10 o 46.93000 0.8834000 2.572000       1.767000  
1 1 1 25 15 12 o 20.02000 1.619000  0.1113000      3.238000  
1 1 1 25 15 14 f 33.22000 0.9777000 -0.2448000     1.955000  
1 1 1 25 15 16 o 30.79000 1.067000  -0.3623000     2.134000  
1 1 1 25 15 18 o 87.37000 1.608000  0.2207000      3.216000  
1 1 1 25 15 20 f 52.14000 1.466000  1.082000       2.932000  
1 1 1 25 15 22 o 45.74000 1.122000  -3.754000      2.244000  
1 1 1 25 15 24 o 7.680000 2.140000  -2.428000      4.279000  
1 1 1 25 15 26 o 28.27000 1.032000  0.9509000      2.064000  
1 1 1 25 15 28 o 26.42000 1.060000  -0.1822000     2.120000  
1 1 1 25 15 30 o 9.919000 2.263000  1.885000       4.527000  
1 1 1 25 15 32 f 26.13000 4.412000  -11.00000      8.824000  
1 1 1 25 16 1  o 63.85000 1.124000  0.4380000      2.248000  
1 1 1 25 16 3  o 21.80000 1.354000  -3.715000      2.707000  
1 1 1 25 16 5  o 28.52000 0.9889000 -0.3989000E-01 1.978000  
1 1 1 25 16 7  o 80.63000 1.236000  -0.2923000     2.473000  
1 1 1 25 16 9  o 57.55000 1.177000  -1.295000      2.353000  
1 1 1 25 16 11 o 54.89000 1.223000  -1.110000      2.447000  
1 1 1 25 16 13 o 13.25000 1.857000  -4.675000      3.713000  
1 1 1 25 16 15 o 11.59000 2.074000  -1.245000      4.149000  
1 1 1 25 16 17 o 22.06000 1.857000  -2.091000      3.714000  
1 1 1 25 16 19 o 48.39000 2.877000  0.3688000      5.755000  
1 1 1 25 16 21 o 7.413000 2.270000  1.487000       4.539000  
1 1 1 25 16 23 o 30.69000 1.222000  -0.1985000     2.444000  
1 1 1 25 16 25 o 15.94000 1.712000  0.9882000      3.424000  
1 1 1 25 16 27 o 10.73000 2.167000  0.6988000      4.335000  
1 1 1 25 16 29 o 19.81000 1.434000  1.243000       2.869000  
1 1 1 25 16 31 o 7.584000 2.257000  0.9064000      4.515000  
1 1 1 25 16 33 o 6.979000 3.375000  ?              ?         
1 1 1 25 17 0  o 29.85000 1.298000  0.000000       0.000000  
1 1 1 25 17 2  o 45.28000 0.9417000 -0.9193000E-01 1.883000  
1 1 1 25 17 4  o 11.22000 2.179000  1.159000       4.359000  
1 1 1 25 17 6  o 30.26000 1.101000  1.116000       2.202000  
1 1 1 25 17 8  o 65.28000 1.262000  -1.581000      2.524000  
1 1 1 25 17 10 o 10.51000 2.509000  0.3714000      5.017000  
1 1 1 25 17 12 o 41.40000 1.086000  2.013000       2.171000  
1 1 1 25 17 14 f 17.64000 2.094000  -0.1374000     4.188000  
1 1 1 25 17 16 o 46.83000 1.309000  0.7631000      2.619000  
1 1 1 25 17 18 o 42.89000 1.387000  -0.7849000     2.774000  
1 1 1 25 17 20 o 27.65000 3.884000  -19.82000      7.767000  
1 1 1 25 17 22 o 19.94000 1.785000  -2.136000      3.570000  
1 1 1 25 17 24 o 42.10000 1.180000  -2.066000      2.360000  
1 1 1 25 17 26 o 19.00000 1.488000  0.1013000      2.976000  
1 1 1 25 17 28 o 44.80000 1.146000  -1.418000      2.291000  
1 1 1 25 17 30 o 23.89000 1.493000  1.071000       2.985000  
1 1 1 25 17 32 o 11.20000 3.917000  ?              ?         
1 1 1 25 18 1  o 24.53000 1.061000  1.025000       2.122000  
1 1 1 25 18 3  o 19.39000 1.509000  0.9462000      3.017000  
1 1 1 25 18 5  o 52.98000 0.9944000 -0.3353000E-01 1.989000  
1 1 1 25 18 7  o 30.17000 1.021000  -2.462000      2.041000  
1 1 1 25 18 9  o 35.69000 0.9810000 0.9730000      1.962000  
1 1 1 25 18 11 o 19.12000 1.544000  -0.9246000     3.088000  
1 1 1 25 18 13 o 46.32000 1.340000  1.219000       2.680000  
1 1 1 25 18 15 o 57.11000 1.244000  0.7376000      2.488000  
1 1 1 25 18 17 o 43.62000 1.466000  1.148000       2.932000  
1 1 1 25 18 19 o 13.73000 4.294000  11.97000       8.588000  
1 1 1 25 18 21 o 19.79000 5.543000  7.187000       11.09000  
1 1 1 25 18 23 o 20.13000 1.496000  -0.3580000     2.992000  
1 1 1 25 18 25 o 18.56000 1.437000  1.036000       2.874000  
1 1 1 25 18 27 o 18.00000 1.535000  -0.8872000     3.071000  
1 1 1 25 18 29 o 14.41000 4.470000  6.964000       8.941000  
1 1 1 25 18 31 o 24.28000 1.861000  -1.561000      3.722000  
1 1 1 25 19 0  o 7.590000 3.003000  0.000000       0.000000  
1 1 1 25 19 2  o 13.96000 1.909000  -1.745000      3.819000  
1 1 1 25 19 4  o 37.81000 1.045000  1.956000       2.091000  
1 1 1 25 19 6  o 8.633000 2.243000  1.612000       4.485000  
1 1 1 25 19 8  o 32.84000 1.156000  -2.059000      2.312000  
1 1 1 25 19 10 o 30.20000 1.186000  1.258000       2.371000  
1 1 1 25 19 12 o 35.81000 1.195000  -0.8571000     2.390000  
1 1 1 25 19 14 o 45.81000 1.206000  -3.682000      2.412000  
1 1 1 25 19 16 o 34.15000 1.553000  -0.7105000     3.106000  
1 1 1 25 19 18 o 11.58000 2.532000  0.9497000      5.063000  
1 1 1 25 19 20 o 40.79000 5.006000  -22.70000      10.01000  
1 1 1 25 19 22 o 17.58000 1.881000  -3.547000      3.761000  
1 1 1 25 19 24 o 15.55000 1.755000  1.476000       3.510000  
1 1 1 25 19 26 o 33.58000 1.114000  -1.983000      2.229000  
1 1 1 25 19 28 o 43.11000 1.152000  -1.976000      2.304000  
1 1 1 25 19 30 o 23.87000 1.814000  -2.954000      3.628000  
1 1 1 25 20 1  o 8.359000 2.301000  0.4032000      4.603000  
1 1 1 25 20 3  o 19.77000 1.608000  -2.199000      3.215000  
1 1 1 25 20 5  o 27.84000 1.198000  1.758000       2.397000  
1 1 1 25 20 7  o 21.78000 1.577000  -1.506000      3.154000  
1 1 1 25 20 9  o 8.274000 2.376000  -1.075000      4.752000  
1 1 1 25 20 11 o 16.28000 2.212000  0.2276000E-01  4.424000  
1 1 1 25 20 13 o 14.16000 2.849000  -3.017000      5.698000  
1 1 1 25 20 15 o 43.24000 1.626000  -0.3563000     3.252000  
1 1 1 25 20 17 o 24.67000 1.508000  2.511000       3.015000  
1 1 1 25 20 19 o 15.36000 2.115000  -3.992000      4.231000  
1 1 1 25 20 21 o 17.84000 4.028000  2.271000       8.056000  
1 1 1 25 20 23 o 18.36000 1.741000  0.5512000      3.483000  
1 1 1 25 20 25 o 15.27000 1.911000  -5.770000      3.822000  
1 1 1 25 20 27 o 30.98000 1.180000  -1.727000      2.359000  
1 1 1 25 20 29 o 25.49000 1.867000  -6.838000      3.734000  
1 1 1 25 21 0  o 11.42000 3.650000  0.000000       0.000000  
1 1 1 25 21 2  o 33.76000 1.187000  -0.2483000     2.375000  
1 1 1 25 21 4  o 7.742000 2.315000  0.3726000      4.630000  
1 1 1 25 21 6  o 64.91000 1.262000  1.262000       2.524000  
1 1 1 25 21 8  o 74.21000 1.260000  0.6496000      2.520000  
1 1 1 25 21 10 o 58.24000 1.486000  -3.594000      2.972000  
1 1 1 25 21 12 o 8.667000 2.585000  -2.321000      5.169000  
1 1 1 25 21 14 o 7.060000 2.279000  -1.018000      4.559000  
1 1 1 25 21 16 o 9.378000 2.533000  2.738000       5.066000  
1 1 1 25 21 18 o 10.22000 2.383000  -2.432000      4.767000  
1 1 1 25 21 20 o 19.41000 1.885000  -0.4395000     3.771000  
1 1 1 25 21 22 o 28.05000 3.620000  -16.28000      7.240000  
1 1 1 25 21 24 o 24.01000 1.357000  0.3314000      2.714000  
1 1 1 25 21 26 o 18.00000 1.763000  -1.477000      3.525000  
1 1 1 25 21 28 o 16.82000 2.492000  -8.471000      4.984000  
1 1 1 25 22 1  o 7.490000 2.386000  -1.006000      4.773000  
1 1 1 25 22 3  o 12.94000 2.693000  4.292000       5.385000  
1 1 1 25 22 5  o 87.14000 1.563000  -3.811000      3.126000  
1 1 1 25 22 7  o 59.16000 1.588000  5.094000       3.177000  
1 1 1 25 22 9  o 42.98000 1.253000  -0.3960000     2.507000  
1 1 1 25 22 11 o 20.59000 2.429000  3.747000       4.858000  
1 1 1 25 22 13 o 37.17000 1.512000  -1.746000      3.025000  
1 1 1 25 22 15 o 21.23000 1.986000  -3.890000      3.972000  
1 1 1 25 22 17 o 20.66000 1.836000  -0.3672000     3.673000  
1 1 1 25 22 19 o 15.36000 2.572000  4.180000       5.145000  
1 1 1 25 22 21 o 14.23000 2.204000  0.9807000      4.407000  
1 1 1 25 22 23 o 12.96000 3.861000  12.08000       7.722000  
1 1 1 25 22 25 o 21.03000 1.628000  1.847000       3.255000  
1 1 1 25 22 27 o 16.29000 2.514000  -12.87000      5.027000  
1 1 1 25 23 0  f 54.83000 2.083000  0.000000       0.000000  
1 1 1 25 23 2  o 52.14000 1.475000  -0.7162000     2.950000  
1 1 1 25 23 4  o 35.48000 1.731000  0.6556000      3.462000  
1 1 1 25 23 6  f 30.31000 1.527000  -3.618000      3.054000  
1 1 1 25 23 8  o 26.44000 2.150000  -4.325000      4.300000  
1 1 1 25 23 10 o 36.04000 1.648000  3.261000       3.295000  
1 1 1 25 23 12 o 47.67000 1.328000  1.919000       2.657000  
1 1 1 25 23 14 o 30.91000 1.470000  1.574000       2.941000  
1 1 1 25 23 16 o 43.95000 1.261000  3.467000       2.523000  
1 1 1 25 23 18 o 10.59000 2.531000  0.9793000      5.063000  
1 1 1 25 23 20 o 25.64000 1.539000  0.7881000      3.079000  
1 1 1 25 23 22 o 11.48000 3.279000  1.765000       6.559000  
1 1 1 25 23 24 o 6.928000 2.059000  1.985000       4.118000  
1 1 1 25 23 26 o 11.81000 2.800000  -5.017000      5.599000  
1 1 1 25 23 28 f 12.15000 3.597000  -1.852000      7.193000  
1 1 1 25 24 1  o 36.90000 1.630000  -5.450000      3.259000  
1 1 1 25 24 3  o 62.86000 1.657000  1.800000       3.315000  
1 1 1 25 24 5  o 7.091000 2.283000  -0.7362000     4.565000  
1 1 1 25 24 7  f 38.77000 1.679000  1.066000       3.359000  
1 1 1 25 24 9  o 13.92000 2.694000  -1.907000      5.388000  
1 1 1 25 24 11 o 26.19000 1.601000  0.2853000      3.203000  
1 1 1 25 24 13 o 21.82000 1.970000  -2.109000      3.940000  
1 1 1 25 24 15 o 8.673000 2.523000  1.952000       5.046000  
1 1 1 25 24 17 o 9.908000 2.553000  -0.1853000E-01 5.106000  
1 1 1 25 24 19 o 37.42000 1.290000  0.1543000      2.580000  
1 1 1 25 24 21 o 30.77000 1.357000  -2.944000      2.714000  
1 1 1 25 24 23 o 26.69000 3.755000  -13.46000      7.509000  
1 1 1 25 24 25 o 13.88000 2.639000  -5.074000      5.277000  
1 1 1 25 24 27 o 11.84000 3.330000  -1.071000      6.661000  
1 1 1 25 25 0  o 9.574000 3.744000  0.000000       0.000000  
1 1 1 25 25 2  o 8.347000 2.520000  -0.7816000     5.039000  
1 1 1 25 25 4  o 9.886000 2.561000  -0.4352000     5.122000  
1 1 1 25 25 6  f 19.18000 2.337000  0.7147000      4.674000  
1 1 1 25 25 8  o 17.72000 2.464000  -4.103000      4.928000  
1 1 1 25 25 10 o 15.89000 2.494000  1.143000       4.989000  
1 1 1 25 25 12 o 15.12000 2.474000  -2.545000      4.949000  
1 1 1 25 25 14 o 24.36000 1.617000  -0.4981000     3.233000  
1 1 1 25 25 16 o 58.83000 1.613000  5.209000       3.225000  
1 1 1 25 25 18 o 44.46000 1.311000  0.7043000      2.623000  
1 1 1 25 25 20 o 30.10000 1.438000  -1.324000      2.876000  
1 1 1 25 25 22 o 25.87000 1.565000  -1.518000      3.131000  
1 1 1 25 25 24 o 28.87000 2.172000  ?              ?         
1 1 1 25 25 26 o 13.97000 5.868000  ?              ?         
1 1 1 25 26 1  o 29.57000 1.392000  -2.066000      2.783000  
1 1 1 25 26 3  o 31.71000 1.276000  -0.6104000     2.552000  
1 1 1 25 26 5  o 31.44000 1.723000  -0.5267000     3.445000  
1 1 1 25 26 7  o 29.10000 1.653000  -4.403000      3.305000  
1 1 1 25 26 9  o 60.64000 1.320000  1.149000       2.640000  
1 1 1 25 26 11 o 39.03000 1.360000  -2.465000      2.719000  
1 1 1 25 26 13 o 9.327000 2.586000  0.2192000      5.172000  
1 1 1 25 26 15 o 14.72000 2.501000  -1.957000      5.003000  
1 1 1 25 26 17 o 10.20000 2.852000  1.274000       5.704000  
1 1 1 25 26 19 o 9.171000 2.584000  0.6950000      5.169000  
1 1 1 25 26 21 o 19.74000 2.161000  -1.324000      4.322000  
1 1 1 25 26 23 o 21.51000 2.668000  -0.2090000     5.335000  
1 1 1 25 27 0  o 38.22000 1.959000  0.000000       0.000000  
1 1 1 25 27 2  o 29.28000 1.280000  1.084000       2.559000  
1 1 1 25 27 4  f 32.26000 1.663000  2.363000       3.326000  
1 1 1 25 27 6  f 24.56000 2.090000  -0.6577000E-02 4.180000  
1 1 1 25 27 8  o 17.08000 2.644000  4.270000       5.288000  
1 1 1 25 27 10 o 19.85000 2.118000  2.968000       4.237000  
1 1 1 25 27 12 o 40.51000 1.317000  1.025000       2.634000  
1 1 1 25 27 14 o 25.14000 1.823000  -0.1650000     3.647000  
1 1 1 25 27 16 o 28.93000 1.530000  -1.147000      3.060000  
1 1 1 25 27 18 o 9.387000 2.635000  1.734000       5.270000  
1 1 1 25 27 20 f 17.06000 3.673000  0.1688000      7.347000  
1 1 1 25 27 22 o 19.48000 3.061000  -10.05000      6.122000  
1 1 1 25 28 1  o 26.19000 1.498000  2.833000       2.996000  
1 1 1 25 28 3  o 38.57000 1.395000  -8.512000      2.790000  
1 1 1 25 28 5  o 21.96000 2.615000  -1.705000      5.229000  
1 1 1 25 28 7  o 17.75000 2.760000  7.541000       5.520000  
1 1 1 25 28 9  o 28.30000 1.676000  -3.256000      3.352000  
1 1 1 25 28 11 f 34.25000 1.433000  -2.537000      2.866000  
1 1 1 25 28 13 o 14.25000 2.698000  -0.2392000     5.397000  
1 1 1 25 28 15 o 9.447000 2.660000  0.4013000      5.320000  
1 1 1 25 28 17 o 26.84000 1.894000  -1.104000      3.789000  
1 1 1 25 28 19 o 10.93000 2.978000  2.103000       5.957000  
1 1 1 25 28 21 o 29.64000 2.261000  7.683000       4.523000  
1 1 1 25 29 0  o 9.201000 3.459000  0.000000       0.000000  
1 1 1 25 29 2  o 27.65000 1.860000  -0.1614000     3.720000  
1 1 1 25 29 4  o 21.34000 3.793000  -0.2330000     7.585000  
1 1 1 25 29 6  o 19.84000 2.784000  -0.5361000     5.569000  
1 1 1 25 29 8  o 14.46000 2.899000  -2.844000      5.798000  
1 1 1 25 29 10 o 19.49000 2.596000  -0.7094000     5.191000  
1 1 1 25 29 12 o 23.24000 1.875000  -0.6804000     3.750000  
1 1 1 25 29 14 o 36.45000 1.499000  -2.074000      2.998000  
1 1 1 25 29 16 o 31.04000 1.809000  -2.102000      3.617000  
1 1 1 25 29 18 o 39.48000 2.142000  2.632000       4.284000  
1 1 1 25 29 20 o 34.16000 2.449000  ?              ?         
1 1 1 25 30 1  o 24.62000 2.157000  1.030000       4.315000  
1 1 1 25 30 3  o 10.96000 2.936000  0.3539000      5.873000  
1 1 1 25 30 5  o 11.87000 3.593000  6.184000       7.186000  
1 1 1 25 30 7  o 14.19000 3.012000  1.660000       6.023000  
1 1 1 25 30 9  o 10.81000 2.944000  2.863000       5.887000  
1 1 1 25 30 11 o 18.19000 2.757000  -2.572000      5.514000  
1 1 1 25 30 13 o 7.960000 2.541000  1.605000       5.081000  
1 1 1 25 30 15 o 8.946000 2.900000  0.7316000      5.800000  
1 1 1 25 30 17 o 33.11000 1.944000  2.229000       3.888000  
1 1 1 25 30 19 o 13.43000 5.871000  ?              ?         
1 1 1 25 31 0  o 8.261000 3.717000  0.000000       0.000000  
1 1 1 25 31 2  o 25.63000 2.447000  1.909000       4.894000  
1 1 1 25 31 4  o 15.57000 2.833000  -2.207000      5.667000  
1 1 1 25 31 6  o 19.09000 3.992000  10.65000       7.984000  
1 1 1 25 31 8  o 10.11000 3.033000  2.435000       6.066000  
1 1 1 25 31 10 o 10.57000 3.071000  3.677000       6.143000  
1 1 1 25 31 12 o 11.48000 3.120000  3.922000       6.239000  
1 1 1 25 31 14 o 39.53000 1.863000  0.3892000      3.726000  
1 1 1 25 31 16 f 18.06000 2.995000  -7.480000      5.991000  
1 1 1 25 32 1  o 21.65000 2.682000  2.802000       5.365000  
1 1 1 25 32 3  o 8.610000 2.752000  1.770000       5.504000  
1 1 1 25 32 5  o 9.161000 2.892000  3.095000       5.785000  
1 1 1 25 32 7  o 11.69000 3.564000  3.444000       7.127000  
1 1 1 25 32 9  f 20.34000 3.218000  -4.915000      6.436000  
1 1 1 25 32 11 o 21.68000 2.874000  -12.57000      5.748000  
1 1 1 25 32 13 o 27.39000 2.404000  0.9273000      4.809000  
1 1 1 25 33 0  o 9.977000 4.028000  0.000000       0.000000  
1 1 1 25 33 2  o 9.951000 3.066000  2.322000       6.131000  
1 1 1 25 33 4  o 7.798000 2.504000  1.435000       5.009000  
1 1 1 25 33 6  o 27.79000 2.844000  4.567000       5.688000  
1 1 1 25 33 8  o 33.49000 2.318000  -3.278000      4.637000  
1 1 1 25 33 10 o 21.58000 2.992000  -3.060000      5.984000  
1 1 1 25 33 12 o 14.69000 3.209000  -1.910000      6.418000  
1 1 1 25 34 1  o 39.34000 2.051000  -4.322000      4.102000  
1 1 1 25 34 3  o 37.82000 2.099000  -5.509000      4.198000  
1 1 1 25 34 5  o 22.44000 3.270000  -5.759000      6.539000  
1 1 1 25 34 7  o 7.769000 2.630000  1.762000       5.260000  
1 1 1 26 0  0  o 46.67000 1.508000  0.000000       0.000000  
1 1 1 26 0  2  o 7.402000 2.398000  0.000000       0.000000  
1 1 1 26 0  4  o 52.86000 1.132000  0.000000       0.000000  
1 1 1 26 0  6  o 29.67000 1.023000  0.000000       0.000000  
1 1 1 26 0  8  o 35.41000 0.9882000 0.000000       0.000000  
1 1 1 26 0  10 o 6.734000 2.382000  0.000000       0.000000  
1 1 1 26 0  12 o 22.78000 1.123000  0.000000       0.000000  
1 1 1 26 0  14 o 8.354000 2.522000  0.000000       0.000000  
1 1 1 26 0  16 o 8.562000 2.797000  0.000000       0.000000  
1 1 1 26 0  18 o 8.712000 2.980000  0.000000       0.000000  
1 1 1 26 0  20 o 37.39000 1.452000  0.000000       0.000000  
1 1 1 26 0  22 o 21.08000 2.101000  0.000000       0.000000  
1 1 1 26 0  24 o 41.66000 1.505000  0.000000       0.000000  
1 1 1 26 0  26 o 9.402000 2.883000  0.000000       0.000000  
1 1 1 26 0  28 o 11.59000 2.969000  0.000000       0.000000  
1 1 1 26 0  30 o 10.37000 3.640000  0.000000       0.000000  
1 1 1 26 0  32 o 7.421000 2.961000  0.000000       0.000000  
1 1 1 26 0  34 o 5.368000 2.474000  0.000000       0.000000  
1 1 1 26 1  1  o 62.76000 0.8910000 -0.2663000     1.782000  
1 1 1 26 1  3  o 85.26000 1.142000  0.4006000      2.285000  
1 1 1 26 1  5  f 32.14000 0.7410000 -0.2877000     1.482000  
1 1 1 26 1  7  o 50.72000 0.7824000 -0.6222000     1.565000  
1 1 1 26 1  9  o 38.20000 0.7078000 0.2206000      1.416000  
1 1 1 26 1  11 o 10.03000 1.450000  0.6239000      2.900000  
1 1 1 26 1  13 o 49.07000 0.9160000 0.7957000      1.832000  
1 1 1 26 1  15 o 18.30000 0.9694000 -1.597000      1.939000  
1 1 1 26 1  17 o 64.63000 1.084000  2.193000       2.169000  
1 1 1 26 1  19 o 52.09000 0.8686000 -2.262000      1.737000  
1 1 1 26 1  21 o 34.67000 0.9717000 -1.554000      1.943000  
1 1 1 26 1  23 o 9.661000 2.536000  0.1567000      5.072000  
1 1 1 26 1  25 o 39.82000 1.002000  1.293000       2.003000  
1 1 1 26 1  27 o 28.31000 1.027000  0.5178000      2.053000  
1 1 1 26 1  29 o 27.62000 1.084000  -0.2348000     2.169000  
1 1 1 26 1  31 o 20.26000 1.227000  0.9574000      2.453000  
1 1 1 26 1  33 o 16.89000 1.533000  -0.4198000     3.065000  
1 1 1 26 1  35 o 23.31000 3.653000  -5.139000      7.307000  
1 1 1 26 2  0  o 103.9000 1.926000  0.000000       0.000000  
1 1 1 26 2  2  o 23.03000 0.7854000 -0.3464000     1.571000  
1 1 1 26 2  4  o 49.81000 0.8933000 -0.2418000     1.787000  
1 1 1 26 2  6  o 16.06000 1.179000  -0.2730000     2.357000  
1 1 1 26 2  8  o 11.58000 1.343000  1.272000       2.685000  
1 1 1 26 2  10 o 12.08000 1.479000  -0.7188000     2.958000  
1 1 1 26 2  12 o 6.618000 1.810000  -2.455000      3.620000  
1 1 1 26 2  14 o 34.80000 0.8250000 -1.273000      1.650000  
1 1 1 26 2  16 o 26.09000 0.9689000 -2.453000      1.938000  
1 1 1 26 2  18 o 18.88000 1.189000  0.1513000      2.378000  
1 1 1 26 2  20 o 26.56000 0.9823000 0.6161000      1.965000  
1 1 1 26 2  22 o 37.15000 1.034000  -0.3375000     2.068000  
1 1 1 26 2  24 o 42.77000 1.032000  -0.4210000     2.065000  
1 1 1 26 2  26 o 36.10000 0.9018000 -0.4792000     1.804000  
1 1 1 26 2  28 o 29.26000 1.206000  2.855000       2.411000  
1 1 1 26 2  30 o 23.20000 1.179000  0.4863000      2.358000  
1 1 1 26 2  32 o 18.52000 1.420000  -1.070000      2.839000  
1 1 1 26 2  34 o 18.25000 1.708000  0.8571000      3.416000  
1 1 1 26 3  1  o 53.31000 0.8082000 -0.9731000     1.616000  
1 1 1 26 3  3  o 20.45000 0.8364000 0.8856000      1.673000  
1 1 1 26 3  5  o 34.48000 0.7037000 -0.6976000     1.407000  
1 1 1 26 3  7  o 30.43000 0.7137000 -0.6984000     1.427000  
1 1 1 26 3  9  o 49.52000 0.8149000 -1.963000      1.630000  
1 1 1 26 3  11 o 11.84000 1.577000  -0.2691000E-02 3.154000  
1 1 1 26 3  13 o 40.09000 0.8527000 0.2902000      1.705000  
1 1 1 26 3  15 f 6.124000 1.665000  0.8090000      3.330000  
1 1 1 26 3  17 o 11.21000 2.125000  1.065000       4.250000  
1 1 1 26 3  19 o 24.68000 0.9892000 0.3176000E-01  1.978000  
1 1 1 26 3  21 o 27.96000 1.067000  -1.670000      2.133000  
1 1 1 26 3  23 f 31.34000 1.168000  0.4485000      2.337000  
1 1 1 26 3  25 o 53.77000 0.9688000 -0.7938000     1.938000  
1 1 1 26 3  27 o 29.58000 1.023000  2.509000       2.046000  
1 1 1 26 3  29 o 20.90000 1.302000  1.103000       2.604000  
1 1 1 26 3  31 o 21.38000 1.543000  -0.1229000E-01 3.085000  
1 1 1 26 3  33 o 28.45000 1.111000  2.544000       2.222000  
1 1 1 26 3  35 o 38.96000 2.009000  3.549000       4.019000  
1 1 1 26 4  0  o 6.740000 2.453000  0.000000       0.000000  
1 1 1 26 4  2  o 33.51000 0.7041000 0.2120000E-01  1.408000  
1 1 1 26 4  4  o 35.10000 0.7002000 0.4117000      1.400000  
1 1 1 26 4  6  o 70.18000 0.9716000 -2.319000      1.943000  
1 1 1 26 4  8  o 52.13000 0.8363000 0.1677000      1.673000  
1 1 1 26 4  10 o 23.34000 0.8403000 0.4849000      1.681000  
1 1 1 26 4  12 o 38.05000 0.8546000 -0.1663000     1.709000  
1 1 1 26 4  14 o 19.71000 0.9213000 0.1341000      1.843000  
1 1 1 26 4  16 o 28.90000 0.9613000 0.6988000      1.923000  
1 1 1 26 4  18 o 19.05000 1.272000  2.224000       2.545000  
1 1 1 26 4  20 o 12.26000 1.955000  -0.2743000     3.911000  
1 1 1 26 4  22 o 36.37000 1.157000  -4.508000      2.314000  
1 1 1 26 4  24 o 52.90000 1.030000  1.870000       2.061000  
1 1 1 26 4  26 o 37.30000 1.006000  -0.3449000E-01 2.012000  
1 1 1 26 4  28 o 9.774000 2.335000  -0.8501000E-01 4.669000  
1 1 1 26 4  30 o 8.740000 2.236000  -0.6795000     4.472000  
1 1 1 26 4  32 o 17.62000 1.914000  2.392000       3.829000  
1 1 1 26 4  34 o 42.33000 1.976000  -3.735000      3.951000  
1 1 1 26 5  1  o 33.22000 0.7005000 0.4384000      1.401000  
1 1 1 26 5  3  o 32.56000 0.7007000 -0.1670000     1.401000  
1 1 1 26 5  5  o 25.25000 0.8607000 -0.7135000     1.721000  
1 1 1 26 5  7  o 71.14000 1.148000  0.1375000      2.297000  
1 1 1 26 5  9  o 45.84000 0.7888000 2.840000       1.578000  
1 1 1 26 5  11 o 37.23000 0.8600000 -0.5852000E-01 1.720000  
1 1 1 26 5  13 o 6.407000 1.846000  -1.670000      3.693000  
1 1 1 26 5  15 f 30.79000 0.9251000 -1.555000      1.850000  
1 1 1 26 5  17 o 15.43000 1.522000  -0.6890000     3.043000  
1 1 1 26 5  19 o 39.59000 0.8562000 2.361000       1.712000  
1 1 1 26 5  21 o 51.53000 0.9875000 -2.791000      1.975000  
1 1 1 26 5  23 o 7.883000 2.242000  -4.210000      4.483000  
1 1 1 26 5  25 o 16.60000 1.599000  -0.2446000     3.198000  
1 1 1 26 5  27 o 16.59000 1.609000  -2.151000      3.217000  
1 1 1 26 5  29 o 21.80000 1.180000  2.986000       2.360000  
1 1 1 26 5  31 o 24.75000 1.304000  -1.040000      2.607000  
1 1 1 26 5  33 o 7.520000 2.265000  -1.593000      4.531000  
1 1 1 26 5  35 o 13.51000 3.186000  10.01000       6.372000  
1 1 1 26 6  0  o 64.54000 1.290000  0.000000       0.000000  
1 1 1 26 6  2  o 50.17000 0.8959000 -0.7939000     1.792000  
1 1 1 26 6  4  o 57.13000 0.8855000 -0.2807000     1.771000  
1 1 1 26 6  6  o 23.47000 0.8769000 0.8726000      1.754000  
1 1 1 26 6  8  o 10.93000 1.618000  1.563000       3.237000  
1 1 1 26 6  10 o 8.158000 1.891000  0.4228000      3.782000  
1 1 1 26 6  12 o 21.91000 1.058000  3.094000       2.116000  
1 1 1 26 6  14 o 35.47000 0.7487000 1.685000       1.497000  
1 1 1 26 6  16 o 19.65000 1.241000  0.9969000      2.481000  
1 1 1 26 6  18 o 20.51000 1.111000  -1.259000      2.221000  
1 1 1 26 6  20 o 33.75000 0.9545000 -0.3551000     1.909000  
1 1 1 26 6  22 o 54.15000 1.016000  0.5443000      2.032000  
1 1 1 26 6  24 o 40.26000 1.059000  -0.6036000     2.118000  
1 1 1 26 6  26 o 36.04000 0.9731000 1.278000       1.946000  
1 1 1 26 6  28 o 40.25000 0.9862000 0.4839000      1.972000  
1 1 1 26 6  30 f 35.44000 1.042000  -0.1674000     2.084000  
1 1 1 26 6  32 o 16.34000 1.983000  2.691000       3.966000  
1 1 1 26 6  34 o 27.67000 2.186000  -2.976000      4.371000  
1 1 1 26 7  1  o 38.42000 0.8133000 0.5846000      1.627000  
1 1 1 26 7  3  o 31.47000 0.7686000 0.6508000      1.537000  
1 1 1 26 7  5  o 25.40000 0.8343000 1.009000       1.669000  
1 1 1 26 7  7  o 34.84000 0.7718000 0.1825000      1.544000  
1 1 1 26 7  9  o 22.93000 0.9895000 -1.770000      1.979000  
1 1 1 26 7  11 o 26.48000 0.9368000 -0.7985000     1.874000  
1 1 1 26 7  13 o 36.39000 0.7787000 1.217000       1.557000  
1 1 1 26 7  15 o 14.82000 1.645000  2.635000       3.290000  
1 1 1 26 7  17 o 26.98000 0.9498000 1.131000       1.900000  
1 1 1 26 7  19 o 21.09000 1.229000  -1.823000      2.459000  
1 1 1 26 7  21 o 41.36000 1.077000  -0.3747000     2.153000  
1 1 1 26 7  23 o 37.33000 1.119000  2.406000       2.239000  
1 1 1 26 7  25 o 38.95000 0.9746000 -0.2664000     1.949000  
1 1 1 26 7  27 o 21.69000 1.044000  3.289000       2.089000  
1 1 1 26 7  29 o 25.62000 1.121000  1.521000       2.241000  
1 1 1 26 7  31 o 14.59000 1.759000  0.5875000      3.517000  
1 1 1 26 7  33 o 19.43000 2.045000  5.442000       4.090000  
1 1 1 26 7  35 o 10.30000 3.110000  -0.4074000     6.219000  
1 1 1 26 8  0  o 78.42000 1.533000  0.000000       0.000000  
1 1 1 26 8  2  o 22.08000 0.8960000 0.4411000      1.792000  
1 1 1 26 8  4  f 29.40000 0.7943000 -2.064000      1.589000  
1 1 1 26 8  6  o 18.35000 1.076000  -1.946000      2.152000  
1 1 1 26 8  8  o 40.42000 0.9379000 -4.400000      1.876000  
1 1 1 26 8  10 o 38.96000 0.8959000 1.362000       1.792000  
1 1 1 26 8  12 o 36.94000 0.7788000 0.7527000      1.558000  
1 1 1 26 8  14 f 39.56000 0.9431000 0.6802000      1.886000  
1 1 1 26 8  16 o 12.79000 1.547000  -0.4626000     3.094000  
1 1 1 26 8  18 o 21.22000 1.181000  -1.715000      2.361000  
1 1 1 26 8  20 o 23.97000 1.302000  -0.3559000     2.603000  
1 1 1 26 8  22 o 30.39000 1.301000  -0.7789000     2.603000  
1 1 1 26 8  24 o 41.40000 0.9836000 -0.4545000     1.967000  
1 1 1 26 8  26 o 25.98000 1.134000  0.9717000      2.268000  
1 1 1 26 8  28 o 21.32000 1.235000  -1.769000      2.471000  
1 1 1 26 8  30 o 36.86000 0.8944000 0.3196000      1.789000  
1 1 1 26 8  32 o 22.76000 1.284000  2.711000       2.567000  
1 1 1 26 8  34 o 12.54000 3.122000  -0.2352000     6.244000  
1 1 1 26 9  1  o 12.19000 1.668000  -0.2641000     3.337000  
1 1 1 26 9  3  o 27.54000 0.8837000 -0.4496000     1.767000  
1 1 1 26 9  5  o 59.72000 0.9190000 -0.3266000     1.838000  
1 1 1 26 9  7  o 37.95000 0.9150000 -0.8622000     1.830000  
1 1 1 26 9  9  o 16.58000 1.460000  0.1286000      2.920000  
1 1 1 26 9  11 o 25.07000 0.8827000 -1.550000      1.765000  
1 1 1 26 9  13 o 16.11000 1.531000  -0.9204000     3.062000  
1 1 1 26 9  15 o 43.90000 1.010000  -1.893000      2.019000  
1 1 1 26 9  17 o 12.36000 1.801000  -3.183000      3.602000  
1 1 1 26 9  19 o 35.11000 1.011000  -1.482000      2.022000  
1 1 1 26 9  21 o 31.80000 1.253000  -0.7489000     2.507000  
1 1 1 26 9  23 o 26.85000 1.223000  -0.6175000     2.445000  
1 1 1 26 9  25 o 39.92000 0.9165000 2.052000       1.833000  
1 1 1 26 9  27 o 11.25000 2.100000  -0.6874000E-01 4.200000  
1 1 1 26 9  29 o 9.641000 2.035000  1.017000       4.069000  
1 1 1 26 9  31 o 20.00000 1.342000  2.048000       2.684000  
1 1 1 26 9  33 o 12.23000 2.861000  -2.444000      5.723000  
1 1 1 26 10 0  o 47.14000 1.496000  0.000000       0.000000  
1 1 1 26 10 2  o 30.67000 0.7809000 -0.8079000E-01 1.562000  
1 1 1 26 10 4  o 7.818000 1.852000  -1.639000      3.703000  
1 1 1 26 10 6  o 41.19000 0.9442000 3.013000       1.888000  
1 1 1 26 10 8  o 21.10000 1.187000  0.7215000      2.375000  
1 1 1 26 10 10 o 25.83000 0.8614000 0.3306000      1.723000  
1 1 1 26 10 12 o 22.39000 0.9919000 1.443000       1.984000  
1 1 1 26 10 14 o 51.38000 1.053000  -0.1935000     2.106000  
1 1 1 26 10 16 f 29.57000 0.9523000 -0.5746000     1.905000  
1 1 1 26 10 18 o 16.46000 1.620000  -0.9103000     3.240000  
1 1 1 26 10 20 o 40.38000 1.134000  -0.5666000     2.269000  
1 1 1 26 10 22 o 43.05000 1.105000  -0.6675000     2.209000  
1 1 1 26 10 24 o 66.44000 1.132000  1.039000       2.264000  
1 1 1 26 10 26 o 22.44000 1.171000  -3.053000      2.342000  
1 1 1 26 10 28 o 16.69000 1.481000  0.6615000E-01  2.961000  
1 1 1 26 10 30 o 18.07000 1.369000  -1.420000      2.738000  
1 1 1 26 10 32 o 11.84000 2.370000  1.333000       4.739000  
1 1 1 26 10 34 o 14.78000 3.695000  -4.387000      7.391000  
1 1 1 26 11 1  o 49.59000 0.8137000 0.7246000      1.627000  
1 1 1 26 11 3  o 43.95000 0.8484000 1.014000       1.697000  
1 1 1 26 11 5  o 33.32000 0.8540000 -0.3549000     1.708000  
1 1 1 26 11 7  o 54.99000 0.9336000 -0.7092000     1.867000  
1 1 1 26 11 9  o 31.91000 0.8169000 1.047000       1.634000  
1 1 1 26 11 11 o 21.89000 1.049000  0.5649000      2.099000  
1 1 1 26 11 13 o 18.46000 1.420000  -2.566000      2.841000  
1 1 1 26 11 15 o 8.091000 2.082000  -2.362000      4.163000  
1 1 1 26 11 17 o 20.72000 1.276000  -3.299000      2.551000  
1 1 1 26 11 19 o 21.45000 1.777000  0.8254000      3.554000  
1 1 1 26 11 21 o 10.45000 2.468000  -2.812000      4.936000  
1 1 1 26 11 23 o 18.83000 1.503000  1.796000       3.006000  
1 1 1 26 11 25 o 27.54000 1.587000  -2.929000      3.174000  
1 1 1 26 11 27 o 14.86000 1.631000  -0.7478000     3.261000  
1 1 1 26 11 29 o 25.19000 1.038000  1.661000       2.076000  
1 1 1 26 11 31 o 22.33000 1.269000  -1.170000      2.539000  
1 1 1 26 11 33 o 26.11000 1.666000  -2.522000      3.331000  
1 1 1 26 12 0  o 12.19000 1.892000  0.000000       0.000000  
1 1 1 26 12 2  o 15.42000 1.367000  -0.7625000     2.733000  
1 1 1 26 12 4  f 13.34000 1.661000  0.1613000      3.322000  
1 1 1 26 12 6  o 53.59000 0.9242000 0.9041000      1.848000  
1 1 1 26 12 8  o 13.77000 1.473000  0.8580000      2.947000  
1 1 1 26 12 10 o 25.94000 1.124000  0.4100000      2.247000  
1 1 1 26 12 12 o 54.46000 1.089000  -0.4433000E-01 2.179000  
1 1 1 26 12 14 o 55.15000 0.9566000 -0.1956000     1.913000  
1 1 1 26 12 16 o 22.58000 1.256000  0.8379000      2.512000  
1 1 1 26 12 18 o 62.90000 1.094000  -2.321000      2.187000  
1 1 1 26 12 20 o 26.29000 1.321000  -4.214000      2.641000  
1 1 1 26 12 22 o 29.99000 1.110000  -0.1741000     2.220000  
1 1 1 26 12 24 o 31.28000 1.081000  0.3258000      2.163000  
1 1 1 26 12 26 o 7.981000 2.253000  -2.036000      4.506000  
1 1 1 26 12 28 o 28.43000 0.9655000 -1.730000      1.931000  
1 1 1 26 12 30 o 50.15000 1.005000  0.8178000      2.010000  
1 1 1 26 12 32 o 38.46000 1.479000  2.904000       2.957000  
1 1 1 26 13 1  o 6.896000 2.102000  -1.185000      4.205000  
1 1 1 26 13 3  o 11.11000 2.069000  -1.983000      4.138000  
1 1 1 26 13 5  o 16.38000 1.211000  0.1183000      2.421000  
1 1 1 26 13 7  o 17.01000 1.167000  -1.478000      2.334000  
1 1 1 26 13 9  o 28.64000 0.9181000 -2.566000      1.836000  
1 1 1 26 13 11 o 20.80000 1.287000  -1.385000      2.574000  
1 1 1 26 13 13 o 66.65000 1.117000  -0.2437000     2.234000  
1 1 1 26 13 15 o 50.25000 0.9712000 -1.268000      1.942000  
1 1 1 26 13 17 o 51.74000 1.047000  -0.6120000     2.093000  
1 1 1 26 13 19 o 16.74000 2.061000  -4.556000      4.123000  
1 1 1 26 13 21 o 61.63000 1.134000  0.3829000      2.268000  
1 1 1 26 13 23 o 18.28000 1.676000  1.482000       3.351000  
1 1 1 26 13 25 o 16.57000 1.754000  0.4992000      3.508000  
1 1 1 26 13 27 o 17.99000 1.346000  -2.995000      2.691000  
1 1 1 26 13 29 o 17.89000 1.486000  2.114000       2.972000  
1 1 1 26 13 31 o 20.45000 1.914000  2.782000       3.827000  
1 1 1 26 13 33 o 12.00000 5.070000  ?              ?         
1 1 1 26 14 0  o 31.29000 1.859000  0.000000       0.000000  
1 1 1 26 14 2  o 13.48000 2.044000  -0.9875000E-01 4.088000  
1 1 1 26 14 4  o 22.76000 1.124000  -1.105000      2.249000  
1 1 1 26 14 6  o 21.95000 1.239000  -0.6158000     2.478000  
1 1 1 26 14 8  o 28.49000 1.143000  -0.6106000     2.286000  
1 1 1 26 14 10 o 43.46000 1.110000  -2.536000      2.219000  
1 1 1 26 14 12 o 47.18000 1.016000  0.2840000      2.032000  
1 1 1 26 14 14 o 35.62000 0.9482000 -4.067000      1.896000  
1 1 1 26 14 16 o 19.93000 1.820000  -3.861000      3.640000  
1 1 1 26 14 18 o 60.56000 1.162000  -0.3216000     2.324000  
1 1 1 26 14 20 o 26.70000 1.240000  -5.302000      2.480000  
1 1 1 26 14 22 o 24.63000 1.178000  -4.617000      2.356000  
1 1 1 26 14 24 o 15.96000 1.665000  1.351000       3.330000  
1 1 1 26 14 26 o 23.20000 1.296000  -0.6207000     2.592000  
1 1 1 26 14 28 f 17.52000 1.578000  -1.551000      3.157000  
1 1 1 26 14 30 o 12.36000 2.362000  -0.9719000     4.723000  
1 1 1 26 15 1  o 32.84000 0.8320000 0.7033000      1.664000  
1 1 1 26 15 3  o 25.99000 1.014000  1.168000       2.028000  
1 1 1 26 15 5  o 23.84000 1.182000  -1.647000      2.363000  
1 1 1 26 15 7  o 24.65000 1.279000  1.037000       2.558000  
1 1 1 26 15 9  o 57.78000 1.089000  2.183000       2.179000  
1 1 1 26 15 11 o 27.98000 1.225000  0.3226000      2.450000  
1 1 1 26 15 13 o 25.55000 1.440000  -2.080000      2.881000  
1 1 1 26 15 15 o 45.20000 1.216000  -1.510000      2.432000  
1 1 1 26 15 17 o 27.11000 1.711000  -4.093000      3.421000  
1 1 1 26 15 19 o 7.463000 2.241000  0.3678000      4.483000  
1 1 1 26 15 21 o 29.99000 1.219000  -0.7778000     2.437000  
1 1 1 26 15 23 o 14.06000 3.442000  1.591000       6.884000  
1 1 1 26 15 25 o 19.84000 1.573000  3.668000       3.147000  
1 1 1 26 15 27 o 13.35000 1.957000  -0.8562000     3.915000  
1 1 1 26 15 29 o 14.35000 1.831000  -2.471000      3.661000  
1 1 1 26 15 31 o 29.09000 1.890000  3.474000       3.781000  
1 1 1 26 16 0  f 7.531000 2.977000  0.000000       0.000000  
1 1 1 26 16 2  o 19.30000 1.348000  0.4772000      2.695000  
1 1 1 26 16 4  o 14.70000 1.659000  -0.9460000     3.318000  
1 1 1 26 16 6  o 15.52000 1.493000  2.841000       2.987000  
1 1 1 26 16 8  o 12.29000 2.108000  -1.991000      4.216000  
1 1 1 26 16 10 o 12.58000 2.018000  -1.143000      4.035000  
1 1 1 26 16 12 o 19.58000 1.859000  -0.4869000     3.717000  
1 1 1 26 16 14 o 41.19000 1.309000  6.762000       2.619000  
1 1 1 26 16 16 o 34.68000 1.197000  -0.3520000     2.394000  
1 1 1 26 16 18 o 39.27000 1.067000  1.133000       2.134000  
1 1 1 26 16 20 o 34.55000 0.9794000 -0.3271000     1.959000  
1 1 1 26 16 22 o 41.57000 1.184000  -1.663000      2.369000  
1 1 1 26 16 24 o 35.91000 1.051000  0.4877000      2.103000  
1 1 1 26 16 26 o 29.39000 1.146000  -0.7415000     2.292000  
1 1 1 26 16 28 o 9.983000 2.222000  -0.7313000E-01 4.444000  
1 1 1 26 16 30 o 29.85000 1.683000  3.729000       3.367000  
1 1 1 26 17 1  o 16.72000 1.611000  -0.1875000     3.221000  
1 1 1 26 17 3  o 12.12000 2.137000  -1.018000      4.274000  
1 1 1 26 17 5  o 15.01000 1.859000  -1.142000      3.719000  
1 1 1 26 17 7  o 37.39000 1.054000  1.415000       2.107000  
1 1 1 26 17 9  o 51.82000 1.109000  2.121000       2.217000  
1 1 1 26 17 11 o 27.87000 1.346000  2.371000       2.692000  
1 1 1 26 17 13 o 30.07000 1.671000  3.029000       3.341000  
1 1 1 26 17 15 o 69.26000 1.244000  -0.1618000     2.487000  
1 1 1 26 17 17 o 41.78000 1.063000  1.558000       2.126000  
1 1 1 26 17 19 o 47.54000 0.9555000 -1.844000      1.911000  
1 1 1 26 17 21 o 26.12000 1.113000  -1.229000      2.226000  
1 1 1 26 17 23 o 41.81000 1.195000  0.1663000      2.389000  
1 1 1 26 17 25 o 32.31000 1.136000  -1.607000      2.271000  
1 1 1 26 17 27 o 9.617000 2.312000  1.869000       4.623000  
1 1 1 26 17 29 o 8.726000 2.687000  -3.952000      5.374000  
1 1 1 26 18 0  o 7.239000 3.059000  0.000000       0.000000  
1 1 1 26 18 2  o 21.98000 1.352000  1.636000       2.704000  
1 1 1 26 18 4  o 27.05000 1.286000  -0.4744000     2.573000  
1 1 1 26 18 6  o 39.15000 1.105000  -1.447000      2.210000  
1 1 1 26 18 8  o 6.883000 2.166000  1.338000       4.332000  
1 1 1 26 18 10 o 28.98000 1.383000  0.9213000      2.766000  
1 1 1 26 18 12 o 46.52000 1.184000  -1.872000      2.369000  
1 1 1 26 18 14 o 33.18000 1.379000  -3.083000      2.758000  
1 1 1 26 18 16 o 19.90000 1.517000  1.662000       3.033000  
1 1 1 26 18 18 o 20.22000 1.344000  -1.837000      2.689000  
1 1 1 26 18 20 o 7.888000 2.147000  0.1112000E-01  4.294000  
1 1 1 26 18 22 o 18.79000 3.907000  -4.151000      7.815000  
1 1 1 26 18 24 o 20.07000 4.056000  -1.016000      8.112000  
1 1 1 26 18 26 o 8.513000 2.257000  -1.675000      4.514000  
1 1 1 26 18 28 o 37.61000 1.236000  -1.130000      2.472000  
1 1 1 26 18 30 o 31.89000 2.691000  ?              ?         
1 1 1 26 19 1  o 19.92000 1.605000  0.2182000      3.210000  
1 1 1 26 19 3  o 24.89000 1.467000  -0.6814000     2.935000  
1 1 1 26 19 5  o 47.56000 1.179000  -0.7950000     2.358000  
1 1 1 26 19 7  o 44.38000 1.221000  -1.527000      2.442000  
1 1 1 26 19 9  o 56.67000 1.175000  -1.944000      2.351000  
1 1 1 26 19 11 o 37.95000 1.315000  1.830000       2.629000  
1 1 1 26 19 13 o 27.40000 1.804000  -1.991000      3.609000  
1 1 1 26 19 15 o 84.14000 1.345000  2.709000       2.690000  
1 1 1 26 19 17 o 35.86000 1.011000  -2.790000      2.022000  
1 1 1 26 19 19 o 21.50000 1.518000  -0.2709000     3.036000  
1 1 1 26 19 21 o 39.30000 1.315000  -1.608000      2.630000  
1 1 1 26 19 23 o 20.76000 4.027000  -2.512000      8.053000  
1 1 1 26 19 25 o 22.14000 1.350000  -3.050000      2.699000  
1 1 1 26 19 27 o 19.50000 1.707000  1.002000       3.415000  
1 1 1 26 19 29 f 11.35000 3.210000  4.860000       6.420000  
1 1 1 26 20 0  o 5.953000 2.853000  0.000000       0.000000  
1 1 1 26 20 2  o 52.06000 1.194000  -3.491000      2.389000  
1 1 1 26 20 4  o 63.38000 1.269000  -1.253000      2.537000  
1 1 1 26 20 6  o 55.64000 1.840000  -7.559000      3.679000  
1 1 1 26 20 8  o 33.37000 1.373000  -3.807000      2.746000  
1 1 1 26 20 10 o 23.82000 1.698000  0.8211000      3.396000  
1 1 1 26 20 12 o 15.09000 2.130000  -3.205000      4.259000  
1 1 1 26 20 14 o 35.81000 1.063000  -0.4368000     2.125000  
1 1 1 26 20 16 o 59.33000 1.088000  1.896000       2.176000  
1 1 1 26 20 18 o 24.09000 1.434000  -1.846000      2.867000  
1 1 1 26 20 20 f 43.60000 1.202000  -1.133000      2.404000  
1 1 1 26 20 22 o 17.07000 1.731000  1.238000       3.462000  
1 1 1 26 20 24 o 28.65000 4.017000  -16.98000      8.033000  
1 1 1 26 20 26 o 19.30000 1.745000  -3.108000      3.490000  
1 1 1 26 20 28 f 9.914000 3.999000  ?              ?         
1 1 1 26 21 1  o 20.18000 2.505000  2.151000       5.010000  
1 1 1 26 21 3  o 13.88000 3.098000  3.060000       6.195000  
1 1 1 26 21 5  o 50.99000 1.296000  -3.227000      2.593000  
1 1 1 26 21 7  o 49.29000 1.354000  -1.311000      2.708000  
1 1 1 26 21 9  o 28.66000 1.398000  -0.1007000     2.795000  
1 1 1 26 21 11 o 32.68000 1.106000  -3.085000      2.212000  
1 1 1 26 21 13 o 19.52000 1.493000  -1.378000      2.986000  
1 1 1 26 21 15 o 19.30000 1.970000  -0.3732000     3.940000  
1 1 1 26 21 17 o 7.774000 2.312000  0.7191000      4.624000  
1 1 1 26 21 19 o 17.38000 1.940000  -1.326000      3.881000  
1 1 1 26 21 21 o 18.81000 1.704000  -2.045000      3.407000  
1 1 1 26 21 23 o 10.23000 2.401000  -0.6681000     4.802000  
1 1 1 26 21 25 o 21.91000 4.321000  -5.378000      8.641000  
1 1 1 26 21 27 o 17.99000 3.673000  -9.652000      7.346000  
1 1 1 26 22 0  o 32.63000 2.429000  0.000000       0.000000  
1 1 1 26 22 2  o 22.29000 2.149000  3.884000       4.298000  
1 1 1 26 22 4  o 14.71000 2.727000  -4.008000      5.454000  
1 1 1 26 22 6  o 22.86000 1.836000  -1.552000      3.671000  
1 1 1 26 22 8  o 25.06000 1.421000  -2.109000      2.841000  
1 1 1 26 22 10 o 34.87000 1.120000  -0.9766000     2.240000  
1 1 1 26 22 12 o 36.53000 1.066000  -0.4922000E-01 2.132000  
1 1 1 26 22 14 o 23.35000 1.715000  -0.7227000     3.430000  
1 1 1 26 22 16 o 23.87000 1.579000  -1.517000      3.158000  
1 1 1 26 22 18 f 27.26000 1.356000  -1.471000      2.711000  
1 1 1 26 22 20 o 13.02000 2.529000  -0.9162000     5.058000  
1 1 1 26 22 22 o 22.77000 1.502000  -2.030000      3.003000  
1 1 1 26 22 24 o 20.32000 4.125000  -5.553000      8.251000  
1 1 1 26 22 26 o 41.40000 1.954000  0.5262000      3.907000  
1 1 1 26 23 1  o 33.59000 1.593000  2.930000       3.185000  
1 1 1 26 23 3  o 13.48000 2.536000  0.6268000      5.071000  
1 1 1 26 23 5  o 20.89000 1.601000  -0.5017000     3.203000  
1 1 1 26 23 7  f 35.13000 1.166000  -3.576000      2.331000  
1 1 1 26 23 9  o 44.72000 1.086000  -4.008000      2.172000  
1 1 1 26 23 11 o 26.38000 1.712000  -1.119000      3.424000  
1 1 1 26 23 13 o 24.37000 1.556000  -1.491000      3.111000  
1 1 1 26 23 15 o 43.20000 1.408000  5.361000       2.816000  
1 1 1 26 23 17 o 24.27000 1.671000  -2.655000      3.343000  
1 1 1 26 23 19 o 33.40000 1.580000  2.899000       3.161000  
1 1 1 26 23 21 o 39.96000 1.224000  -3.020000      2.447000  
1 1 1 26 23 23 o 12.72000 2.575000  2.427000       5.149000  
1 1 1 26 23 25 o 17.10000 3.601000  -7.747000      7.203000  
1 1 1 26 24 0  o 42.20000 1.942000  0.000000       0.000000  
1 1 1 26 24 2  o 8.498000 2.410000  -1.005000      4.821000  
1 1 1 26 24 4  o 41.36000 1.132000  -1.286000      2.264000  
1 1 1 26 24 6  o 24.40000 1.421000  -1.797000      2.842000  
1 1 1 26 24 8  f 10.60000 2.470000  0.2308000E-01  4.939000  
1 1 1 26 24 10 o 18.66000 2.119000  -0.2524000     4.239000  
1 1 1 26 24 12 o 19.74000 1.838000  1.641000       3.677000  
1 1 1 26 24 14 o 45.36000 1.297000  2.705000       2.594000  
1 1 1 26 24 16 o 56.73000 1.283000  -4.658000      2.565000  
1 1 1 26 24 18 f 34.15000 1.353000  0.4159000      2.706000  
1 1 1 26 24 20 o 39.71000 1.279000  -0.2093000     2.558000  
1 1 1 26 24 22 o 8.955000 2.569000  2.583000       5.139000  
1 1 1 26 24 24 o 42.20000 2.110000  -9.175000      4.220000  
1 1 1 26 25 1  o 25.84000 1.535000  -0.9743000     3.069000  
1 1 1 26 25 3  o 45.58000 1.127000  1.007000       2.254000  
1 1 1 26 25 5  o 31.21000 1.218000  0.5830000      2.435000  
1 1 1 26 25 7  o 27.57000 1.264000  -0.7788000     2.529000  
1 1 1 26 25 9  f 15.72000 2.495000  -2.542000      4.990000  
1 1 1 26 25 11 o 39.69000 1.221000  0.2662000      2.443000  
1 1 1 26 25 13 o 37.42000 1.296000  0.4534000      2.593000  
1 1 1 26 25 15 o 46.53000 1.320000  -2.301000      2.641000  
1 1 1 26 25 17 o 25.47000 1.546000  -2.617000      3.092000  
1 1 1 26 25 19 o 12.09000 2.569000  -0.7833000     5.137000  
1 1 1 26 25 21 o 9.807000 2.682000  0.8252000      5.363000  
1 1 1 26 25 23 o 20.40000 3.503000  -0.3351000E-01 7.006000  
1 1 1 26 26 0  o 8.594000 3.445000  0.000000       0.000000  
1 1 1 26 26 2  o 25.80000 1.535000  -0.1251000E-02 3.070000  
1 1 1 26 26 4  o 10.97000 2.431000  -1.736000      4.861000  
1 1 1 26 26 6  o 13.73000 2.438000  -0.2050000E-01 4.876000  
1 1 1 26 26 8  o 24.82000 1.940000  -1.410000      3.880000  
1 1 1 26 26 10 o 23.59000 1.842000  0.4334000      3.683000  
1 1 1 26 26 12 o 36.78000 1.338000  -2.655000      2.675000  
1 1 1 26 26 14 o 34.28000 1.354000  -2.710000      2.708000  
1 1 1 26 26 16 o 27.29000 1.743000  -2.016000      3.485000  
1 1 1 26 26 18 o 19.02000 2.151000  1.539000       4.303000  
1 1 1 26 26 20 f 26.55000 2.473000  5.566000       4.946000  
1 1 1 26 26 22 o 13.67000 3.199000  -7.984000      6.397000  
1 1 1 26 27 1  o 53.84000 1.141000  0.3341000      2.282000  
1 1 1 26 27 3  o 28.57000 1.402000  -0.1486000     2.805000  
1 1 1 26 27 5  o 22.78000 2.226000  -5.598000      4.452000  
1 1 1 26 27 7  o 13.72000 2.719000  2.120000       5.438000  
1 1 1 26 27 9  o 33.01000 1.549000  3.656000       3.098000  
1 1 1 26 27 11 o 41.91000 1.340000  -0.4187000     2.681000  
1 1 1 26 27 13 o 9.662000 2.545000  -0.7244000     5.090000  
1 1 1 26 27 15 o 24.60000 1.794000  -0.8761000     3.587000  
1 1 1 26 27 17 o 33.99000 1.972000  -0.5027000     3.944000  
1 1 1 26 27 19 o 30.24000 1.761000  -1.081000      3.521000  
1 1 1 26 27 21 o 10.53000 3.255000  2.985000       6.509000  
1 1 1 26 28 0  o 12.33000 3.685000  0.000000       0.000000  
1 1 1 26 28 2  o 23.85000 1.514000  -1.045000      3.028000  
1 1 1 26 28 4  o 34.29000 3.156000  -7.256000      6.313000  
1 1 1 26 28 6  o 37.24000 1.506000  0.7666000E-01  3.012000  
1 1 1 26 28 8  o 48.23000 1.366000  0.9491000      2.732000  
1 1 1 26 28 10 o 28.21000 1.681000  -1.158000      3.361000  
1 1 1 26 28 12 o 9.208000 2.698000  2.679000       5.397000  
1 1 1 26 28 14 o 24.55000 1.853000  -3.791000      3.706000  
1 1 1 26 28 16 o 24.20000 2.179000  -2.123000      4.359000  
1 1 1 26 28 18 o 39.05000 1.872000  3.636000       3.745000  
1 1 1 26 29 1  o 15.71000 2.161000  -1.553000      4.323000  
1 1 1 26 29 3  o 17.69000 2.704000  2.715000       5.408000  
1 1 1 26 29 5  o 14.44000 3.799000  5.570000       7.599000  
1 1 1 26 29 7  o 25.01000 2.108000  5.671000       4.216000  
1 1 1 26 29 9  o 16.24000 2.682000  4.008000       5.363000  
1 1 1 26 29 11 o 32.08000 1.612000  -0.1994000     3.224000  
1 1 1 26 29 13 o 7.731000 2.483000  0.9268000      4.966000  
1 1 1 26 29 15 o 27.13000 2.345000  3.886000       4.691000  
1 1 1 26 29 17 o 10.13000 4.483000  ?              ?         
1 1 1 26 30 0  o 22.54000 2.197000  0.000000       0.000000  
1 1 1 26 30 2  o 18.85000 2.699000  -2.637000      5.398000  
1 1 1 26 30 4  o 9.326000 2.857000  2.444000       5.713000  
1 1 1 26 30 6  o 19.02000 3.901000  2.254000       7.801000  
1 1 1 26 30 8  o 22.99000 2.551000  -0.6601000     5.102000  
1 1 1 26 30 10 o 19.28000 2.629000  -1.200000      5.258000  
1 1 1 26 30 12 o 10.51000 2.728000  5.787000       5.456000  
1 1 1 26 30 14 o 36.38000 1.704000  3.653000       3.409000  
1 1 1 26 30 16 o 14.72000 5.650000  ?              ?         
1 1 1 26 31 1  o 7.891000 2.625000  2.638000       5.249000  
1 1 1 26 31 3  o 25.51000 2.388000  3.537000       4.777000  
1 1 1 26 31 5  o 9.645000 2.993000  3.001000       5.986000  
1 1 1 26 31 7  o 13.00000 3.326000  2.116000       6.652000  
1 1 1 26 31 9  o 14.91000 2.960000  -9.778000      5.921000  
1 1 1 26 31 11 o 40.22000 1.918000  1.787000       3.837000  
1 1 1 26 31 13 o 7.641000 2.593000  -0.7092000     5.186000  
1 1 1 26 32 0  o 25.75000 4.375000  0.000000       0.000000  
1 1 1 26 32 2  o 28.60000 2.781000  4.082000       5.563000  
1 1 1 26 32 4  f 10.73000 3.272000  -0.7878000E-01 6.545000  
1 1 1 26 32 6  o 35.39000 1.584000  0.4996000      3.169000  
1 1 1 26 32 8  o 29.89000 2.239000  2.551000       4.478000  
1 1 1 26 32 10 o 8.953000 2.827000  1.024000       5.653000  
1 1 1 26 33 1  o 11.23000 3.212000  -0.8535000     6.423000  
1 1 1 26 33 3  o 8.566000 2.789000  1.445000       5.579000  
1 1 1 26 33 5  o 8.549000 2.708000  -1.647000      5.416000  
1 1 1 27 0  1  o 23.74000 1.089000  0.000000       0.000000  
1 1 1 27 0  3  o 106.4000 1.973000  0.000000       0.000000  
1 1 1 27 0  5  o 80.86000 1.542000  0.000000       0.000000  
1 1 1 27 0  7  o 15.95000 1.580000  0.000000       0.000000  
1 1 1 27 0  9  o 69.81000 1.565000  0.000000       0.000000  
1 1 1 27 0  11 f 35.40000 1.012000  0.000000       0.000000  
1 1 1 27 0  13 o 9.736000 2.848000  0.000000       0.000000  
1 1 1 27 0  15 o 17.05000 1.533000  0.000000       0.000000  
1 1 1 27 0  17 f 7.349000 2.781000  0.000000       0.000000  
1 1 1 27 0  19 o 76.60000 1.611000  0.000000       0.000000  
1 1 1 27 0  21 f 6.180000 2.860000  0.000000       0.000000  
1 1 1 27 0  23 o 35.65000 1.382000  0.000000       0.000000  
1 1 1 27 0  25 o 18.77000 1.744000  0.000000       0.000000  
1 1 1 27 0  27 o 23.14000 1.607000  0.000000       0.000000  
1 1 1 27 0  29 o 21.81000 1.769000  0.000000       0.000000  
1 1 1 27 0  31 o 36.44000 1.317000  0.000000       0.000000  
1 1 1 27 0  33 o 40.99000 2.005000  0.000000       0.000000  
1 1 1 27 1  0  o 55.18000 1.163000  0.000000       0.000000  
1 1 1 27 1  2  o 32.45000 0.7058000 0.9034000      1.412000  
1 1 1 27 1  4  o 29.17000 0.8001000 -1.011000      1.600000  
1 1 1 27 1  6  o 61.18000 0.8768000 0.2098000      1.754000  
1 1 1 27 1  8  o 13.98000 1.183000  -0.3258000     2.366000  
1 1 1 27 1  10 o 9.516000 1.602000  0.4792000      3.205000  
1 1 1 27 1  12 o 31.33000 0.9539000 -0.5858000     1.908000  
1 1 1 27 1  14 o 39.26000 1.002000  -0.7290000     2.005000  
1 1 1 27 1  16 o 11.21000 1.810000  -2.467000      3.620000  
1 1 1 27 1  18 o 22.75000 1.167000  -1.343000      2.334000  
1 1 1 27 1  20 o 24.84000 1.547000  -4.718000      3.094000  
1 1 1 27 1  22 o 18.02000 1.638000  1.164000       3.276000  
1 1 1 27 1  24 o 25.64000 1.061000  -1.555000      2.122000  
1 1 1 27 1  26 o 23.94000 1.075000  0.8180000      2.150000  
1 1 1 27 1  28 o 39.03000 0.9379000 2.361000       1.876000  
1 1 1 27 1  30 o 7.435000 2.070000  -0.1115000     4.139000  
1 1 1 27 1  32 o 6.217000 1.960000  0.1931000      3.919000  
1 1 1 27 1  34 o 8.099000 2.740000  -0.7071000     5.480000  
1 1 1 27 2  1  o 36.80000 0.6998000 0.8527000E-01  1.400000  
1 1 1 27 2  3  f 24.45000 0.8080000 -0.5906000     1.616000  
1 1 1 27 2  5  o 18.09000 1.121000  1.563000       2.243000  
1 1 1 27 2  7  o 37.33000 0.7501000 -1.638000      1.500000  
1 1 1 27 2  9  o 17.78000 0.9559000 0.4680000      1.912000  
1 1 1 27 2  11 o 16.81000 1.081000  0.9818000      2.162000  
1 1 1 27 2  13 o 22.40000 1.067000  -0.7168000     2.133000  
1 1 1 27 2  15 o 23.78000 0.8814000 1.143000       1.763000  
1 1 1 27 2  17 o 12.87000 1.777000  2.115000       3.553000  
1 1 1 27 2  19 o 32.09000 1.031000  0.1957000      2.063000  
1 1 1 27 2  21 o 13.14000 2.254000  -2.222000      4.508000  
1 1 1 27 2  23 f 8.402000 2.124000  1.168000       4.248000  
1 1 1 27 2  25 o 13.67000 1.791000  -1.487000      3.581000  
1 1 1 27 2  27 f 28.82000 0.9703000 0.9020000      1.941000  
1 1 1 27 2  29 o 27.55000 1.256000  -1.136000      2.511000  
1 1 1 27 2  31 o 17.58000 1.923000  1.598000       3.845000  
1 1 1 27 2  33 o 28.81000 1.306000  1.723000       2.612000  
1 1 1 27 3  0  f 18.01000 1.295000  0.000000       0.000000  
1 1 1 27 3  2  o 47.93000 0.7673000 0.5431000      1.535000  
1 1 1 27 3  4  o 20.40000 0.8566000 0.5332000      1.713000  
1 1 1 27 3  6  o 46.05000 0.9237000 0.6532000      1.847000  
1 1 1 27 3  8  o 35.40000 0.8981000 -0.2831000     1.796000  
1 1 1 27 3  10 f 8.927000 1.759000  0.7056000      3.518000  
1 1 1 27 3  12 o 36.57000 0.9350000 0.8816000      1.870000  
1 1 1 27 3  14 o 44.25000 0.9535000 1.069000       1.907000  
1 1 1 27 3  16 o 45.55000 0.8571000 0.8183000      1.714000  
1 1 1 27 3  18 o 34.75000 0.9405000 -1.798000      1.881000  
1 1 1 27 3  20 o 32.83000 1.214000  -0.6654000     2.428000  
1 1 1 27 3  22 f 51.53000 1.040000  -3.534000      2.081000  
1 1 1 27 3  24 o 28.60000 0.9547000 -1.583000      1.909000  
1 1 1 27 3  26 o 22.26000 1.162000  1.683000       2.323000  
1 1 1 27 3  28 f 16.41000 1.626000  -0.6484000     3.253000  
1 1 1 27 3  30 o 17.03000 1.556000  0.3751000      3.112000  
1 1 1 27 3  32 o 7.376000 2.175000  0.1200000      4.350000  
1 1 1 27 3  34 o 9.262000 4.267000  ?              ?         
1 1 1 27 4  1  o 37.12000 0.7200000 0.2233000E-01  1.440000  
1 1 1 27 4  3  o 62.07000 0.8873000 -1.076000      1.775000  
1 1 1 27 4  5  o 49.94000 0.7792000 1.630000       1.558000  
1 1 1 27 4  7  o 30.93000 0.8855000 -0.2046000     1.771000  
1 1 1 27 4  9  o 23.15000 0.8542000 1.622000       1.708000  
1 1 1 27 4  11 o 13.82000 1.319000  0.8554000E-01  2.639000  
1 1 1 27 4  13 o 7.871000 2.063000  -2.965000      4.126000  
1 1 1 27 4  15 o 37.10000 0.8053000 -0.6606000     1.611000  
1 1 1 27 4  17 o 25.50000 1.029000  -1.048000      2.058000  
1 1 1 27 4  19 o 30.33000 1.075000  -0.6692000     2.150000  
1 1 1 27 4  21 o 40.04000 1.081000  1.133000       2.162000  
1 1 1 27 4  23 o 36.64000 0.8939000 0.6119000      1.788000  
1 1 1 27 4  25 o 22.73000 1.048000  -0.5259000E-01 2.096000  
1 1 1 27 4  27 o 11.08000 2.103000  0.9503000E-01  4.206000  
1 1 1 27 4  29 o 21.42000 1.275000  0.9070000      2.549000  
1 1 1 27 4  31 o 23.92000 1.219000  -1.919000      2.439000  
1 1 1 27 4  33 o 42.49000 1.269000  0.2010000      2.537000  
1 1 1 27 5  0  o 31.84000 1.031000  0.000000       0.000000  
1 1 1 27 5  2  o 31.43000 0.7950000 1.001000       1.590000  
1 1 1 27 5  4  o 51.46000 0.7936000 1.228000       1.587000  
1 1 1 27 5  6  o 31.32000 0.8796000 -1.901000      1.759000  
1 1 1 27 5  8  o 48.39000 0.9435000 -0.2560000     1.887000  
1 1 1 27 5  10 o 27.32000 0.8555000 -0.4755000     1.711000  
1 1 1 27 5  12 o 47.23000 0.9894000 -0.9151000     1.979000  
1 1 1 27 5  14 o 35.81000 0.8108000 1.027000       1.622000  
1 1 1 27 5  16 o 24.49000 1.018000  -0.7643000     2.037000  
1 1 1 27 5  18 o 36.61000 0.9689000 0.6065000      1.938000  
1 1 1 27 5  20 o 37.46000 1.065000  1.278000       2.131000  
1 1 1 27 5  22 o 46.14000 0.9434000 -1.825000      1.887000  
1 1 1 27 5  24 o 34.00000 0.8782000 -0.4953000     1.756000  
1 1 1 27 5  26 o 44.78000 0.8856000 0.1873000      1.771000  
1 1 1 27 5  28 o 13.54000 2.182000  3.202000       4.364000  
1 1 1 27 5  30 o 21.43000 1.253000  0.4620000      2.505000  
1 1 1 27 5  32 o 24.37000 1.739000  0.3794000      3.479000  
1 1 1 27 6  1  f 42.63000 0.7805000 -0.5848000     1.561000  
1 1 1 27 6  3  o 11.66000 1.515000  -0.2643000     3.030000  
1 1 1 27 6  5  o 53.47000 0.9784000 0.8328000      1.957000  
1 1 1 27 6  7  o 12.45000 1.800000  1.255000       3.600000  
1 1 1 27 6  9  o 38.18000 0.7828000 -0.1256000E-01 1.566000  
1 1 1 27 6  11 o 45.22000 0.9793000 -0.1098000     1.959000  
1 1 1 27 6  13 o 41.49000 0.9468000 2.605000       1.894000  
1 1 1 27 6  15 o 13.52000 1.638000  -2.460000      3.277000  
1 1 1 27 6  17 o 36.32000 0.9264000 -0.2478000     1.853000  
1 1 1 27 6  19 o 18.00000 1.923000  -0.5013000     3.846000  
1 1 1 27 6  21 o 26.50000 1.169000  -1.236000      2.337000  
1 1 1 27 6  23 o 31.63000 0.9376000 -0.6009000     1.875000  
1 1 1 27 6  25 o 20.73000 1.158000  0.2649000      2.316000  
1 1 1 27 6  27 o 12.16000 1.895000  0.6611000      3.790000  
1 1 1 27 6  29 o 33.33000 0.9579000 -0.6746000     1.916000  
1 1 1 27 6  31 o 8.449000 2.218000  -3.786000      4.437000  
1 1 1 27 7  0  o 55.32000 1.192000  0.000000       0.000000  
1 1 1 27 7  2  o 27.04000 0.7892000 0.1960000      1.578000  
1 1 1 27 7  4  o 45.11000 0.9026000 0.8560000      1.805000  
1 1 1 27 7  6  o 23.18000 0.9862000 -0.7377000E-01 1.972000  
1 1 1 27 7  8  o 61.92000 0.9662000 1.387000       1.932000  
1 1 1 27 7  10 o 51.41000 0.8895000 2.683000       1.779000  
1 1 1 27 7  12 o 28.45000 1.020000  -0.3894000     2.040000  
1 1 1 27 7  14 o 24.08000 1.027000  2.232000       2.054000  
1 1 1 27 7  16 o 46.73000 0.9212000 -2.272000      1.842000  
1 1 1 27 7  18 o 46.53000 1.030000  -2.195000      2.059000  
1 1 1 27 7  20 o 15.68000 1.865000  -4.433000      3.731000  
1 1 1 27 7  22 f 16.81000 1.370000  0.3881000E-01  2.741000  
1 1 1 27 7  24 o 24.92000 1.002000  -1.220000      2.004000  
1 1 1 27 7  26 o 9.670000 2.030000  -0.3794000     4.060000  
1 1 1 27 7  28 o 23.24000 1.179000  0.6726000E-01  2.358000  
1 1 1 27 7  30 o 7.508000 2.017000  0.7825000      4.034000  
1 1 1 27 7  32 o 12.98000 2.841000  -6.708000      5.682000  
1 1 1 27 8  1  o 19.73000 1.240000  -0.7496000     2.479000  
1 1 1 27 8  3  o 38.59000 0.9021000 0.9257000      1.804000  
1 1 1 27 8  5  o 54.85000 1.032000  -2.336000      2.064000  
1 1 1 27 8  7  o 6.470000 1.818000  -2.439000      3.636000  
1 1 1 27 8  9  o 13.02000 1.583000  1.283000       3.166000  
1 1 1 27 8  11 o 28.62000 1.021000  -0.8529000     2.041000  
1 1 1 27 8  13 o 30.90000 0.8430000 1.624000       1.686000  
1 1 1 27 8  15 f 42.69000 0.8812000 0.5310000      1.762000  
1 1 1 27 8  17 o 45.41000 0.9806000 2.637000       1.961000  
1 1 1 27 8  19 o 36.48000 1.086000  -0.6616000     2.171000  
1 1 1 27 8  21 o 32.45000 1.031000  -1.491000      2.063000  
1 1 1 27 8  23 o 22.65000 1.076000  -0.3689000     2.152000  
1 1 1 27 8  25 o 35.67000 0.8787000 -0.1104000     1.757000  
1 1 1 27 8  27 o 15.27000 1.630000  -1.893000      3.259000  
1 1 1 27 8  29 f 8.585000 2.091000  -0.9996000     4.182000  
1 1 1 27 8  31 o 14.72000 2.124000  1.081000       4.248000  
1 1 1 27 8  33 o 9.126000 3.067000  0.3968000      6.133000  
1 1 1 27 9  0  o 27.30000 2.116000  0.000000       0.000000  
1 1 1 27 9  2  o 7.355000 1.939000  -0.1845000     3.878000  
1 1 1 27 9  4  o 30.97000 0.9273000 0.4400000      1.855000  
1 1 1 27 9  6  o 38.09000 0.8072000 -2.068000      1.614000  
1 1 1 27 9  8  o 41.78000 1.156000  -1.164000      2.312000  
1 1 1 27 9  10 o 6.417000 1.965000  -0.7337000     3.930000  
1 1 1 27 9  12 o 28.60000 0.8897000 2.001000       1.779000  
1 1 1 27 9  14 o 31.54000 0.9713000 0.3999000      1.943000  
1 1 1 27 9  16 o 37.49000 1.033000  0.9089000      2.065000  
1 1 1 27 9  18 o 45.56000 1.032000  2.068000       2.064000  
1 1 1 27 9  20 o 42.52000 0.9989000 -4.197000      1.998000  
1 1 1 27 9  22 o 28.71000 0.9531000 -0.8236000     1.906000  
1 1 1 27 9  24 o 9.161000 2.053000  -1.784000      4.106000  
1 1 1 27 9  26 o 40.64000 1.205000  -0.1213000     2.410000  
1 1 1 27 9  28 o 6.951000 1.951000  1.258000       3.903000  
1 1 1 27 9  30 o 8.031000 2.196000  0.4887000      4.391000  
1 1 1 27 9  32 o 34.56000 2.344000  8.689000       4.688000  
1 1 1 27 10 1  o 19.77000 1.263000  0.3500000      2.526000  
1 1 1 27 10 3  o 23.29000 1.027000  -0.3562000     2.055000  
1 1 1 27 10 5  o 31.47000 0.8711000 0.6252000      1.742000  
1 1 1 27 10 7  o 13.78000 1.619000  -3.421000      3.238000  
1 1 1 27 10 9  o 19.28000 1.379000  0.3267000      2.757000  
1 1 1 27 10 11 o 36.12000 0.9754000 -1.623000      1.951000  
1 1 1 27 10 13 o 18.50000 1.386000  0.4329000      2.772000  
1 1 1 27 10 15 o 25.06000 1.220000  -2.072000      2.439000  
1 1 1 27 10 17 o 21.65000 1.685000  0.6775000E-02  3.369000  
1 1 1 27 10 19 o 6.436000 2.076000  -2.601000      4.151000  
1 1 1 27 10 21 o 9.027000 2.016000  2.576000       4.033000  
1 1 1 27 10 23 o 21.71000 1.136000  -1.604000      2.272000  
1 1 1 27 10 25 o 56.84000 1.042000  2.102000       2.083000  
1 1 1 27 10 27 o 8.652000 2.230000  -1.321000      4.460000  
1 1 1 27 10 29 f 14.85000 1.630000  1.747000       3.259000  
1 1 1 27 10 31 o 24.25000 1.951000  7.235000       3.902000  
1 1 1 27 11 0  o 7.961000 3.033000  0.000000       0.000000  
1 1 1 27 11 2  o 41.70000 0.8749000 -0.6384000     1.750000  
1 1 1 27 11 4  o 29.88000 0.9652000 -0.8393000     1.930000  
1 1 1 27 11 6  o 28.94000 1.047000  0.3452000      2.095000  
1 1 1 27 11 8  o 29.81000 0.8754000 -1.081000      1.751000  
1 1 1 27 11 10 o 24.49000 1.181000  0.5434000      2.362000  
1 1 1 27 11 12 o 27.58000 1.018000  0.3933000      2.036000  
1 1 1 27 11 14 o 18.48000 1.604000  -0.1393000     3.208000  
1 1 1 27 11 16 o 24.96000 1.512000  1.119000       3.023000  
1 1 1 27 11 18 o 19.92000 1.605000  -0.8181000     3.210000  
1 1 1 27 11 20 o 14.84000 1.672000  0.2786000      3.345000  
1 1 1 27 11 22 f 31.96000 0.9557000 2.297000       1.911000  
1 1 1 27 11 24 o 51.98000 0.9447000 -0.3560000     1.889000  
1 1 1 27 11 26 o 20.54000 1.390000  -1.162000      2.780000  
1 1 1 27 11 28 o 7.913000 1.935000  3.057000       3.870000  
1 1 1 27 11 30 f 7.860000 2.282000  1.152000       4.564000  
1 1 1 27 11 32 o 9.371000 3.080000  -0.6826000E-01 6.161000  
1 1 1 27 12 1  o 49.59000 0.8359000 2.759000       1.672000  
1 1 1 27 12 3  o 32.20000 0.9694000 0.5048000      1.939000  
1 1 1 27 12 5  o 30.93000 1.031000  -1.038000      2.061000  
1 1 1 27 12 7  o 25.78000 1.027000  2.184000       2.053000  
1 1 1 27 12 9  o 29.24000 1.109000  -0.7249000     2.218000  
1 1 1 27 12 11 o 22.73000 1.262000  4.552000       2.524000  
1 1 1 27 12 13 o 44.32000 1.064000  2.727000       2.129000  
1 1 1 27 12 15 o 31.83000 1.364000  -0.6778000     2.728000  
1 1 1 27 12 17 o 10.94000 2.407000  -1.175000      4.814000  
1 1 1 27 12 19 f 15.75000 1.641000  -1.987000      3.282000  
1 1 1 27 12 21 o 57.36000 0.9651000 -1.885000      1.930000  
1 1 1 27 12 23 o 7.548000 2.035000  -4.979000      4.071000  
1 1 1 27 12 25 o 16.38000 1.602000  -3.763000      3.205000  
1 1 1 27 12 27 o 21.15000 1.152000  -2.184000      2.305000  
1 1 1 27 12 29 o 30.64000 1.045000  -3.467000      2.089000  
1 1 1 27 12 31 o 33.86000 2.084000  5.762000       4.169000  
1 1 1 27 13 0  o 39.30000 1.326000  0.000000       0.000000  
1 1 1 27 13 2  o 15.49000 1.728000  -0.9762000E-01 3.457000  
1 1 1 27 13 4  o 25.05000 1.070000  -0.3752000     2.140000  
1 1 1 27 13 6  o 11.93000 1.838000  -0.9757000     3.677000  
1 1 1 27 13 8  o 57.42000 1.114000  0.7451000      2.229000  
1 1 1 27 13 10 o 18.63000 1.718000  0.8877000E-01  3.435000  
1 1 1 27 13 12 o 20.87000 1.842000  -2.226000      3.684000  
1 1 1 27 13 14 o 34.97000 1.360000  -5.638000      2.721000  
1 1 1 27 13 16 o 20.26000 1.774000  -0.8565000E-01 3.547000  
1 1 1 27 13 18 f 47.77000 1.025000  -1.237000      2.051000  
1 1 1 27 13 20 o 29.06000 1.055000  0.3031000      2.111000  
1 1 1 27 13 22 o 19.98000 1.323000  -2.286000      2.646000  
1 1 1 27 13 24 o 8.740000 2.426000  -1.639000      4.851000  
1 1 1 27 13 26 o 15.02000 2.156000  0.7475000      4.312000  
1 1 1 27 13 28 o 12.23000 2.386000  -0.6317000     4.771000  
1 1 1 27 13 30 o 24.37000 2.189000  -4.601000      4.378000  
1 1 1 27 14 1  o 14.49000 1.787000  -0.6526000     3.574000  
1 1 1 27 14 3  o 43.83000 0.9837000 3.534000       1.967000  
1 1 1 27 14 5  o 32.28000 1.043000  0.4086000      2.086000  
1 1 1 27 14 7  o 15.91000 1.762000  -2.727000      3.525000  
1 1 1 27 14 9  o 42.38000 0.9320000 0.4756000      1.864000  
1 1 1 27 14 11 o 26.32000 1.293000  -0.6919000     2.586000  
1 1 1 27 14 13 o 35.62000 1.262000  -0.5390000     2.524000  
1 1 1 27 14 15 o 40.23000 1.102000  -2.111000      2.203000  
1 1 1 27 14 17 o 30.92000 1.134000  -0.8538000     2.268000  
1 1 1 27 14 19 o 8.400000 2.166000  -0.3238000     4.332000  
1 1 1 27 14 21 f 10.25000 2.158000  -0.5916000     4.317000  
1 1 1 27 14 23 o 16.65000 1.602000  1.544000       3.205000  
1 1 1 27 14 25 o 9.343000 2.345000  -1.659000      4.690000  
1 1 1 27 14 27 o 8.241000 2.217000  -2.644000      4.434000  
1 1 1 27 14 29 o 8.644000 2.535000  -2.892000      5.069000  
1 1 1 27 14 31 o 8.631000 3.594000  ?              ?         
1 1 1 27 15 0  o 13.04000 2.738000  0.000000       0.000000  
1 1 1 27 15 2  o 19.23000 1.514000  1.106000       3.029000  
1 1 1 27 15 4  o 33.42000 1.099000  1.898000       2.199000  
1 1 1 27 15 6  o 14.11000 2.210000  2.731000       4.420000  
1 1 1 27 15 8  o 6.266000 2.005000  0.7120000      4.011000  
1 1 1 27 15 10 o 32.96000 1.155000  1.922000       2.311000  
1 1 1 27 15 12 o 47.15000 1.168000  1.219000       2.336000  
1 1 1 27 15 14 o 14.92000 2.285000  0.9991000      4.570000  
1 1 1 27 15 16 f 16.89000 1.876000  0.2230000      3.751000  
1 1 1 27 15 18 o 12.88000 1.970000  -0.2148000     3.939000  
1 1 1 27 15 20 o 16.51000 1.709000  -0.1840000     3.419000  
1 1 1 27 15 22 o 58.95000 1.036000  1.442000       2.071000  
1 1 1 27 15 24 o 27.15000 1.096000  -0.3837000     2.191000  
1 1 1 27 15 26 o 7.405000 2.199000  -0.5715000     4.398000  
1 1 1 27 15 28 o 8.218000 2.238000  -2.182000      4.476000  
1 1 1 27 15 30 o 12.69000 4.810000  ?              ?         
1 1 1 27 16 1  o 19.93000 1.401000  -0.6678000     2.802000  
1 1 1 27 16 3  o 67.75000 1.137000  -1.170000      2.274000  
1 1 1 27 16 5  o 27.49000 1.285000  -0.3705000     2.570000  
1 1 1 27 16 7  o 12.83000 2.314000  0.3149000      4.627000  
1 1 1 27 16 9  o 31.10000 1.258000  0.4664000      2.515000  
1 1 1 27 16 11 o 25.58000 2.026000  -0.5730000     4.053000  
1 1 1 27 16 13 o 29.90000 1.270000  1.697000       2.540000  
1 1 1 27 16 15 o 15.72000 1.727000  0.6485000E-03  3.455000  
1 1 1 27 16 17 o 8.798000 2.186000  0.4788000E-01  4.373000  
1 1 1 27 16 19 o 9.350000 2.178000  -0.6657000E-03 4.357000  
1 1 1 27 16 21 o 31.47000 0.9810000 -1.442000      1.962000  
1 1 1 27 16 23 o 25.45000 1.527000  -0.2198000     3.054000  
1 1 1 27 16 25 o 29.86000 1.178000  0.4309000      2.356000  
1 1 1 27 16 27 o 6.164000 2.002000  -1.821000      4.004000  
1 1 1 27 16 29 o 12.13000 4.311000  ?              ?         
1 1 1 27 17 0  o 5.836000 2.749000  0.000000       0.000000  
1 1 1 27 17 2  o 37.56000 1.121000  -2.506000      2.242000  
1 1 1 27 17 4  o 61.30000 1.239000  -2.254000      2.477000  
1 1 1 27 17 6  o 38.36000 1.184000  -0.2763000     2.369000  
1 1 1 27 17 8  o 26.95000 1.515000  -0.2016000     3.030000  
1 1 1 27 17 10 o 13.79000 2.466000  -4.207000      4.932000  
1 1 1 27 17 12 o 45.11000 1.112000  -1.606000      2.223000  
1 1 1 27 17 14 o 39.05000 0.9890000 -1.272000      1.978000  
1 1 1 27 17 16 o 18.63000 1.472000  1.701000       2.944000  
1 1 1 27 17 18 o 10.69000 2.148000  -1.076000      4.295000  
1 1 1 27 17 20 o 39.27000 1.047000  -3.388000      2.094000  
1 1 1 27 17 22 o 44.47000 1.070000  0.2391000      2.140000  
1 1 1 27 17 24 o 8.715000 2.165000  -2.666000      4.330000  
1 1 1 27 17 26 o 25.82000 1.440000  -2.096000      2.879000  
1 1 1 27 17 28 o 13.88000 3.268000  -0.4698000     6.536000  
1 1 1 27 18 1  o 42.08000 1.159000  -1.899000      2.318000  
1 1 1 27 18 3  o 54.52000 1.311000  -0.8516000     2.623000  
1 1 1 27 18 5  o 48.46000 1.287000  -2.610000      2.575000  
1 1 1 27 18 7  o 24.74000 1.583000  -1.389000      3.165000  
1 1 1 27 18 9  o 32.68000 1.220000  0.7691000      2.439000  
1 1 1 27 18 11 o 24.94000 1.369000  -2.145000      2.737000  
1 1 1 27 18 13 o 30.76000 1.076000  -0.5539000     2.153000  
1 1 1 27 18 15 o 28.95000 1.057000  -0.7672000     2.114000  
1 1 1 27 18 17 o 57.43000 1.032000  0.6156000      2.063000  
1 1 1 27 18 19 o 37.57000 0.9515000 -0.2227000E-01 1.903000  
1 1 1 27 18 21 o 17.86000 1.530000  -1.484000      3.060000  
1 1 1 27 18 23 f 10.95000 2.119000  -1.280000      4.238000  
1 1 1 27 18 25 o 16.79000 2.100000  -5.275000      4.200000  
1 1 1 27 18 27 o 34.07000 2.135000  -1.330000      4.269000  
1 1 1 27 19 0  o 51.54000 1.809000  0.000000       0.000000  
1 1 1 27 19 2  o 33.83000 1.495000  0.5988000      2.989000  
1 1 1 27 19 4  o 32.79000 1.505000  -2.039000      3.009000  
1 1 1 27 19 6  o 8.130000 2.444000  -1.326000      4.888000  
1 1 1 27 19 8  o 6.670000 2.145000  0.2127000      4.289000  
1 1 1 27 19 10 f 8.145000 2.338000  -0.2916000     4.676000  
1 1 1 27 19 12 o 12.66000 2.147000  0.6486000      4.294000  
1 1 1 27 19 14 o 11.50000 2.230000  -1.281000      4.460000  
1 1 1 27 19 16 o 73.66000 1.228000  0.4956000      2.455000  
1 1 1 27 19 18 o 37.89000 0.9874000 -1.986000      1.975000  
1 1 1 27 19 20 o 29.71000 1.043000  -2.609000      2.086000  
1 1 1 27 19 22 o 34.56000 1.007000  -0.7085000     2.014000  
1 1 1 27 19 24 o 10.21000 2.392000  0.3131000      4.785000  
1 1 1 27 19 26 o 22.94000 2.809000  -12.75000      5.617000  
1 1 1 27 20 1  o 50.15000 1.609000  -0.2956000     3.218000  
1 1 1 27 20 3  f 6.890000 2.271000  -0.7811000     4.541000  
1 1 1 27 20 5  o 54.57000 1.150000  2.879000       2.299000  
1 1 1 27 20 7  o 61.91000 1.171000  -1.317000      2.342000  
1 1 1 27 20 9  o 33.53000 1.064000  -2.561000      2.128000  
1 1 1 27 20 11 o 16.04000 1.807000  -1.153000      3.614000  
1 1 1 27 20 13 o 7.314000 2.277000  0.2826000      4.554000  
1 1 1 27 20 15 o 30.90000 1.047000  -3.039000      2.094000  
1 1 1 27 20 17 o 32.26000 1.050000  0.2452000      2.099000  
1 1 1 27 20 19 o 36.66000 1.001000  -3.230000      2.001000  
1 1 1 27 20 21 o 36.36000 1.384000  -2.523000      2.768000  
1 1 1 27 20 23 o 18.99000 1.756000  -3.289000      3.512000  
1 1 1 27 20 25 o 16.63000 2.435000  -10.04000      4.870000  
1 1 1 27 21 0  o 9.130000 3.778000  0.000000       0.000000  
1 1 1 27 21 2  o 30.03000 1.498000  -0.5743000     2.996000  
1 1 1 27 21 4  o 14.50000 2.218000  -0.6964000E-01 4.436000  
1 1 1 27 21 6  o 47.00000 1.165000  -1.251000      2.329000  
1 1 1 27 21 8  o 24.14000 1.331000  -0.5174000     2.662000  
1 1 1 27 21 10 o 7.915000 2.251000  0.3304000      4.502000  
1 1 1 27 21 12 o 18.77000 1.602000  -0.6505000     3.204000  
1 1 1 27 21 14 o 37.99000 1.016000  -1.628000      2.032000  
1 1 1 27 21 16 o 10.36000 2.155000  -2.315000      4.309000  
1 1 1 27 21 18 o 13.99000 2.265000  -0.8011000E-01 4.531000  
1 1 1 27 21 20 o 22.25000 1.438000  3.199000       2.875000  
1 1 1 27 21 22 o 40.98000 1.250000  0.4309000      2.500000  
1 1 1 27 21 24 o 26.61000 1.931000  -5.319000      3.862000  
1 1 1 27 22 1  o 24.99000 1.674000  3.817000       3.349000  
1 1 1 27 22 3  o 20.37000 1.639000  -1.075000      3.278000  
1 1 1 27 22 5  o 22.47000 1.467000  0.5130000      2.934000  
1 1 1 27 22 7  o 33.27000 1.127000  -0.2541000     2.254000  
1 1 1 27 22 9  o 60.22000 1.105000  -0.2156000     2.211000  
1 1 1 27 22 11 o 47.92000 1.034000  -2.136000      2.067000  
1 1 1 27 22 13 o 17.46000 1.635000  -0.3540000     3.271000  
1 1 1 27 22 15 o 24.45000 1.242000  -2.684000      2.484000  
1 1 1 27 22 17 o 17.84000 1.982000  0.8339000      3.964000  
1 1 1 27 22 19 o 39.62000 1.271000  0.2427000      2.543000  
1 1 1 27 22 21 o 22.37000 1.600000  -4.075000      3.200000  
1 1 1 27 22 23 o 46.28000 1.679000  3.026000       3.357000  
1 1 1 27 22 25 o 12.97000 4.692000  ?              ?         
1 1 1 27 23 0  o 16.30000 3.137000  0.000000       0.000000  
1 1 1 27 23 2  o 12.53000 2.503000  -1.643000      5.005000  
1 1 1 27 23 4  o 17.27000 1.866000  -0.2803000     3.733000  
1 1 1 27 23 6  o 28.45000 1.204000  0.1774000      2.408000  
1 1 1 27 23 8  o 33.82000 1.127000  -1.318000      2.253000  
1 1 1 27 23 10 o 25.60000 1.266000  -1.285000      2.533000  
1 1 1 27 23 12 o 13.75000 2.024000  -0.8958000     4.048000  
1 1 1 27 23 14 o 10.94000 2.629000  1.937000       5.259000  
1 1 1 27 23 16 o 45.25000 1.244000  -2.493000      2.487000  
1 1 1 27 23 18 o 13.11000 2.350000  -3.003000      4.700000  
1 1 1 27 23 20 o 18.95000 2.051000  -3.127000      4.102000  
1 1 1 27 23 22 o 21.99000 2.415000  -8.976000      4.830000  
1 1 1 27 24 1  o 7.685000 2.334000  0.4151000      4.668000  
1 1 1 27 24 3  o 35.69000 1.229000  -0.1469000     2.457000  
1 1 1 27 24 5  o 22.03000 1.473000  -0.6507000     2.945000  
1 1 1 27 24 7  o 25.93000 1.286000  0.9100000      2.572000  
1 1 1 27 24 9  o 13.90000 2.184000  -7.510000      4.368000  
1 1 1 27 24 11 o 14.40000 2.115000  -2.885000      4.231000  
1 1 1 27 24 13 o 8.170000 2.394000  1.328000       4.788000  
1 1 1 27 24 15 o 16.48000 2.192000  -4.986000      4.385000  
1 1 1 27 24 17 o 12.73000 2.538000  1.123000       5.076000  
1 1 1 27 24 19 o 27.88000 1.844000  -1.405000      3.688000  
1 1 1 27 24 21 f 24.25000 1.966000  1.249000       3.932000  
1 1 1 27 25 0  o 16.87000 2.847000  0.000000       0.000000  
1 1 1 27 25 2  o 31.50000 1.283000  -0.4498000     2.566000  
1 1 1 27 25 4  o 20.46000 1.635000  1.820000       3.269000  
1 1 1 27 25 6  o 15.22000 2.177000  -5.869000      4.353000  
1 1 1 27 25 8  f 28.13000 1.349000  0.8027000      2.699000  
1 1 1 27 25 10 o 24.97000 1.356000  -0.3828000     2.712000  
1 1 1 27 25 12 o 26.94000 1.597000  0.1200000E-01  3.194000  
1 1 1 27 25 14 o 9.460000 2.536000  0.6819000      5.072000  
1 1 1 27 25 16 o 10.78000 2.663000  1.239000       5.326000  
1 1 1 27 25 18 o 19.57000 2.240000  3.376000       4.480000  
1 1 1 27 25 20 o 17.41000 3.874000  -5.448000      7.748000  
1 1 1 27 26 1  o 24.98000 1.380000  -0.6337000     2.760000  
1 1 1 27 26 3  o 12.99000 2.351000  -3.564000      4.701000  
1 1 1 27 26 5  o 24.51000 1.647000  2.020000       3.295000  
1 1 1 27 26 7  o 28.87000 1.342000  -1.937000      2.685000  
1 1 1 27 26 9  f 31.00000 1.237000  0.2648000      2.474000  
1 1 1 27 26 11 o 30.38000 1.537000  -0.1543000     3.073000  
1 1 1 27 26 13 o 24.29000 1.706000  -0.4109000     3.411000  
1 1 1 27 26 15 o 33.13000 1.588000  0.3056000      3.176000  
1 1 1 27 26 17 o 9.288000 2.685000  -2.801000      5.371000  
1 1 1 27 26 19 o 36.73000 2.310000  -8.474000      4.620000  
1 1 1 27 27 0  o 31.32000 1.781000  0.000000       0.000000  
1 1 1 27 27 2  o 21.29000 1.624000  -2.034000      3.248000  
1 1 1 27 27 4  o 8.981000 2.476000  -0.2553000     4.953000  
1 1 1 27 27 6  o 24.89000 1.524000  -0.4551000     3.047000  
1 1 1 27 27 8  o 25.64000 1.996000  -0.6498000     3.992000  
1 1 1 27 27 10 o 22.84000 1.989000  -1.511000      3.979000  
1 1 1 27 27 12 o 31.10000 1.585000  -6.808000      3.171000  
1 1 1 27 27 14 o 11.09000 2.844000  0.4461000      5.687000  
1 1 1 27 27 16 o 29.60000 2.173000  -6.634000      4.347000  
1 1 1 27 27 18 o 13.72000 3.533000  -1.909000      7.066000  
1 1 1 27 28 1  o 12.65000 2.456000  -0.9630000     4.913000  
1 1 1 27 28 3  o 31.51000 1.262000  -1.567000      2.525000  
1 1 1 27 28 5  o 22.21000 1.644000  -0.3742000     3.289000  
1 1 1 27 28 7  o 30.74000 3.116000  -8.488000      6.233000  
1 1 1 27 28 9  o 18.52000 2.831000  -1.231000      5.663000  
1 1 1 27 28 11 o 18.71000 2.544000  7.402000       5.089000  
1 1 1 27 28 13 o 24.71000 2.354000  5.443000       4.709000  
1 1 1 27 28 15 o 34.82000 2.020000  -3.494000      4.041000  
1 1 1 27 29 0  o 17.51000 2.981000  0.000000       0.000000  
1 1 1 27 29 2  o 10.04000 2.552000  -1.554000      5.105000  
1 1 1 27 29 4  f 12.85000 2.599000  -1.388000      5.199000  
1 1 1 27 29 6  o 19.71000 2.528000  1.833000       5.057000  
1 1 1 27 29 8  o 28.12000 3.979000  -11.65000      7.958000  
1 1 1 27 29 10 o 9.512000 2.870000  1.900000       5.741000  
1 1 1 27 29 12 o 31.46000 1.887000  6.237000       3.774000  
1 1 1 27 29 14 o 8.478000 2.738000  -0.2322000     5.476000  
1 1 1 27 30 1  o 10.18000 3.264000  0.5285000      6.529000  
1 1 1 27 30 3  o 14.67000 3.689000  -0.9582000     7.377000  
1 1 1 27 30 5  o 9.636000 2.806000  1.208000       5.612000  
1 1 1 27 30 7  o 34.36000 2.103000  1.758000       4.207000  
1 1 1 27 30 9  o 37.20000 1.796000  -2.613000      3.592000  
1 1 1 27 30 11 o 9.609000 2.956000  0.2139000      5.912000  
1 1 1 27 31 0  o 35.36000 2.479000  0.000000       0.000000  
1 1 1 27 31 2  o 13.05000 3.654000  0.9597000      7.309000  
1 1 1 27 31 4  o 44.40000 1.737000  2.966000       3.475000  
1 1 1 27 31 6  o 22.72000 2.621000  4.600000       5.242000  
1 1 1 27 31 8  o 10.37000 2.940000  -3.565000      5.881000  
1 1 1 27 32 1  o 10.39000 3.482000  ?              ?         
1 1 1 27 32 3  o 15.91000 2.864000  ?              ?         
1 1 1 28 0  0  o 7.703000 2.919000  0.000000       0.000000  
1 1 1 28 0  2  o 18.60000 1.389000  0.000000       0.000000  
1 1 1 28 0  4  o 6.442000 2.748000  0.000000       0.000000  
1 1 1 28 0  6  o 22.08000 1.170000  0.000000       0.000000  
1 1 1 28 0  8  o 7.346000 2.683000  0.000000       0.000000  
1 1 1 28 0  10 o 38.93000 1.242000  0.000000       0.000000  
1 1 1 28 0  12 o 48.30000 1.156000  0.000000       0.000000  
1 1 1 28 0  14 o 35.01000 1.268000  0.000000       0.000000  
1 1 1 28 0  16 o 21.62000 1.846000  0.000000       0.000000  
1 1 1 28 0  18 o 33.74000 1.555000  0.000000       0.000000  
1 1 1 28 0  20 o 28.27000 1.526000  0.000000       0.000000  
1 1 1 28 0  22 o 34.15000 1.311000  0.000000       0.000000  
1 1 1 28 0  24 o 36.56000 1.294000  0.000000       0.000000  
1 1 1 28 0  26 o 19.59000 1.964000  0.000000       0.000000  
1 1 1 28 0  28 o 6.895000 2.801000  0.000000       0.000000  
1 1 1 28 0  30 o 7.814000 3.100000  0.000000       0.000000  
1 1 1 28 0  32 o 19.48000 3.574000  0.000000       0.000000  
1 1 1 28 1  1  o 26.73000 0.7316000 0.4909000      1.463000  
1 1 1 28 1  3  o 55.67000 1.152000  1.136000       2.304000  
1 1 1 28 1  5  f 26.00000 0.8360000 0.4199000      1.672000  
1 1 1 28 1  7  o 9.137000 1.731000  1.388000       3.462000  
1 1 1 28 1  9  o 51.14000 0.9224000 0.3564000      1.845000  
1 1 1 28 1  11 f 14.84000 1.387000  -1.557000      2.773000  
1 1 1 28 1  13 o 10.01000 2.027000  -1.163000      4.054000  
1 1 1 28 1  15 o 5.689000 1.845000  -0.1518000     3.690000  
1 1 1 28 1  17 o 31.45000 1.162000  1.326000       2.325000  
1 1 1 28 1  19 o 21.85000 1.375000  -2.989000      2.750000  
1 1 1 28 1  21 o 40.68000 0.8846000 -0.1212000     1.769000  
1 1 1 28 1  23 o 11.00000 1.998000  1.748000       3.996000  
1 1 1 28 1  25 o 47.07000 0.9510000 -1.064000      1.902000  
1 1 1 28 1  27 o 18.07000 1.359000  0.1279000E-01  2.718000  
1 1 1 28 1  29 o 26.00000 1.135000  -1.164000      2.270000  
1 1 1 28 1  31 o 20.44000 2.083000  8.342000       4.166000  
1 1 1 28 2  0  o 8.897000 2.360000  0.000000       0.000000  
1 1 1 28 2  2  o 24.01000 0.8186000 0.1098000      1.637000  
1 1 1 28 2  4  o 42.95000 0.8364000 0.8659000      1.673000  
1 1 1 28 2  6  o 21.14000 0.8309000 -0.1558000     1.662000  
1 1 1 28 2  8  o 13.20000 1.513000  2.557000       3.027000  
1 1 1 28 2  10 o 13.92000 1.701000  -1.739000      3.402000  
1 1 1 28 2  12 o 25.82000 0.9289000 1.152000       1.858000  
1 1 1 28 2  14 o 8.898000 2.057000  -3.897000      4.114000  
1 1 1 28 2  16 o 31.53000 1.097000  0.2279000      2.194000  
1 1 1 28 2  18 o 46.91000 0.9888000 -0.7187000     1.978000  
1 1 1 28 2  20 o 16.86000 1.456000  -2.281000      2.912000  
1 1 1 28 2  22 o 25.79000 1.006000  -1.479000      2.012000  
1 1 1 28 2  24 o 7.687000 2.068000  1.322000       4.137000  
1 1 1 28 2  26 o 8.890000 2.067000  -0.3948000     4.134000  
1 1 1 28 2  28 o 14.24000 1.803000  -0.6760000     3.606000  
1 1 1 28 2  30 o 24.89000 1.209000  1.992000       2.419000  
1 1 1 28 2  32 o 15.04000 3.218000  7.095000       6.436000  
1 1 1 28 3  1  o 25.01000 0.8171000 -0.5797000     1.634000  
1 1 1 28 3  3  o 51.73000 0.9035000 -0.4078000     1.807000  
1 1 1 28 3  5  o 28.29000 0.9258000 1.340000       1.852000  
1 1 1 28 3  7  o 37.93000 0.8440000 -1.018000      1.688000  
1 1 1 28 3  9  o 50.04000 1.027000  -0.3962000     2.054000  
1 1 1 28 3  11 o 26.69000 0.8805000 -0.1609000     1.761000  
1 1 1 28 3  13 o 48.18000 0.8848000 -0.6375000     1.770000  
1 1 1 28 3  15 o 56.29000 0.9742000 -2.096000      1.948000  
1 1 1 28 3  17 o 60.76000 1.069000  -3.101000      2.138000  
1 1 1 28 3  19 o 52.24000 0.9700000 -2.247000      1.940000  
1 1 1 28 3  21 o 25.48000 1.026000  -0.4585000     2.052000  
1 1 1 28 3  23 o 19.00000 1.242000  1.213000       2.485000  
1 1 1 28 3  25 o 21.31000 1.168000  0.4428000      2.335000  
1 1 1 28 3  27 o 20.49000 1.263000  1.022000       2.526000  
1 1 1 28 3  29 o 15.51000 2.048000  0.9583000      4.095000  
1 1 1 28 3  31 o 18.14000 2.036000  -2.856000      4.073000  
1 1 1 28 4  0  o 106.4000 2.280000  0.000000       0.000000  
1 1 1 28 4  2  o 59.53000 1.016000  0.7074000      2.031000  
1 1 1 28 4  4  o 18.77000 0.9551000 0.1694000      1.910000  
1 1 1 28 4  6  o 37.40000 0.7886000 0.9854000      1.577000  
1 1 1 28 4  8  o 55.99000 1.065000  1.551000       2.129000  
1 1 1 28 4  10 o 34.85000 0.8008000 -0.7957000     1.602000  
1 1 1 28 4  12 o 36.51000 0.8571000 2.091000       1.714000  
1 1 1 28 4  14 o 21.81000 1.238000  1.712000       2.477000  
1 1 1 28 4  16 o 37.54000 1.101000  3.294000       2.203000  
1 1 1 28 4  18 o 39.93000 1.100000  0.4695000      2.200000  
1 1 1 28 4  20 o 28.87000 0.9611000 -0.7207000     1.922000  
1 1 1 28 4  22 o 32.35000 0.8897000 -0.2886000E-01 1.779000  
1 1 1 28 4  24 o 28.86000 0.9112000 1.068000       1.822000  
1 1 1 28 4  26 o 10.10000 2.167000  -1.740000      4.333000  
1 1 1 28 4  28 o 8.903000 2.170000  -0.5489000     4.339000  
1 1 1 28 4  30 o 8.272000 2.248000  -0.4509000     4.495000  
1 1 1 28 4  32 o 8.303000 2.788000  -1.246000      5.577000  
1 1 1 28 5  1  o 15.36000 1.256000  -0.9345000     2.512000  
1 1 1 28 5  3  o 33.06000 0.7596000 0.7942000      1.519000  
1 1 1 28 5  5  o 20.67000 1.159000  -0.5036000     2.318000  
1 1 1 28 5  7  o 16.75000 1.496000  -2.650000      2.992000  
1 1 1 28 5  9  f 63.10000 1.110000  0.3033000E-01  2.221000  
1 1 1 28 5  11 o 17.78000 1.234000  -0.3812000     2.467000  
1 1 1 28 5  13 o 19.37000 1.314000  1.058000       2.628000  
1 1 1 28 5  15 o 26.02000 1.252000  1.672000       2.503000  
1 1 1 28 5  17 o 45.86000 1.039000  1.900000       2.078000  
1 1 1 28 5  19 o 20.52000 1.357000  -1.034000      2.714000  
1 1 1 28 5  21 o 20.89000 1.176000  -1.785000      2.351000  
1 1 1 28 5  23 o 30.76000 0.8915000 0.3271000E-01  1.783000  
1 1 1 28 5  25 o 5.978000 1.817000  0.2096000      3.633000  
1 1 1 28 5  27 o 27.57000 1.011000  0.1168000      2.021000  
1 1 1 28 5  29 o 7.357000 2.092000  0.5079000      4.184000  
1 1 1 28 5  31 o 32.95000 1.354000  4.230000       2.708000  
1 1 1 28 6  0  o 6.756000 2.582000  0.000000       0.000000  
1 1 1 28 6  2  o 33.28000 0.7837000 0.3547000      1.567000  
1 1 1 28 6  4  o 35.17000 0.8433000 -1.390000      1.687000  
1 1 1 28 6  6  o 59.01000 1.180000  -2.354000      2.361000  
1 1 1 28 6  8  o 13.75000 1.844000  3.325000       3.689000  
1 1 1 28 6  10 o 13.16000 1.730000  -0.5803000     3.460000  
1 1 1 28 6  12 o 5.981000 1.875000  -1.147000      3.750000  
1 1 1 28 6  14 o 7.669000 2.177000  -3.067000      4.354000  
1 1 1 28 6  16 o 69.40000 1.137000  3.932000       2.274000  
1 1 1 28 6  18 o 18.65000 1.552000  -0.8039000     3.103000  
1 1 1 28 6  20 o 10.43000 1.987000  0.1017000      3.975000  
1 1 1 28 6  22 o 11.97000 1.783000  2.068000       3.566000  
1 1 1 28 6  24 o 14.70000 1.571000  3.199000       3.142000  
1 1 1 28 6  26 o 8.588000 2.044000  0.7310000      4.089000  
1 1 1 28 6  28 o 7.156000 2.168000  2.393000       4.335000  
1 1 1 28 6  30 o 8.408000 2.230000  2.069000       4.461000  
1 1 1 28 6  32 o 15.57000 6.020000  ?              ?         
1 1 1 28 7  1  o 32.06000 0.9236000 0.5500000      1.847000  
1 1 1 28 7  3  o 31.87000 0.9739000 0.9398000      1.948000  
1 1 1 28 7  5  o 42.15000 0.9090000 -2.095000      1.818000  
1 1 1 28 7  7  o 34.65000 0.9544000 -1.352000      1.909000  
1 1 1 28 7  9  o 12.67000 2.021000  0.1897000      4.042000  
1 1 1 28 7  11 o 7.977000 2.063000  0.1204000      4.126000  
1 1 1 28 7  13 o 20.90000 1.277000  -0.9825000     2.555000  
1 1 1 28 7  15 o 20.06000 1.772000  -0.3642000     3.544000  
1 1 1 28 7  17 o 6.575000 2.101000  -3.578000      4.202000  
1 1 1 28 7  19 o 21.57000 1.233000  -0.6865000     2.465000  
1 1 1 28 7  21 o 18.16000 1.270000  -0.3693000     2.540000  
1 1 1 28 7  23 o 35.22000 0.8861000 0.6763000      1.772000  
1 1 1 28 7  25 o 31.94000 0.9231000 -1.896000      1.846000  
1 1 1 28 7  27 o 16.52000 1.319000  -1.087000      2.638000  
1 1 1 28 7  29 f 6.478000 1.991000  0.4531000      3.982000  
1 1 1 28 7  31 o 23.40000 3.602000  -15.90000      7.205000  
1 1 1 28 8  0  o 12.31000 3.088000  0.000000       0.000000  
1 1 1 28 8  2  o 49.79000 1.049000  -0.7973000     2.098000  
1 1 1 28 8  4  o 33.61000 0.9788000 -2.049000      1.958000  
1 1 1 28 8  6  o 45.85000 1.050000  -2.694000      2.099000  
1 1 1 28 8  8  o 37.01000 1.140000  -3.506000      2.279000  
1 1 1 28 8  10 o 35.39000 0.9140000 -0.3959000E-01 1.828000  
1 1 1 28 8  12 o 6.922000 2.060000  -1.082000      4.120000  
1 1 1 28 8  14 o 22.21000 1.604000  0.5326000      3.209000  
1 1 1 28 8  16 o 6.098000 1.996000  -0.4838000     3.992000  
1 1 1 28 8  18 o 10.59000 2.229000  -0.7816000     4.458000  
1 1 1 28 8  20 o 20.14000 1.188000  -1.077000      2.376000  
1 1 1 28 8  22 o 9.352000 2.050000  -1.016000      4.100000  
1 1 1 28 8  24 o 27.32000 0.9489000 -0.9560000     1.898000  
1 1 1 28 8  26 o 37.15000 0.9087000 -1.427000      1.817000  
1 1 1 28 8  28 o 22.17000 1.172000  0.1259000      2.343000  
1 1 1 28 8  30 o 34.39000 1.519000  1.533000       3.038000  
1 1 1 28 9  1  o 19.59000 1.151000  0.5942000      2.301000  
1 1 1 28 9  3  o 9.238000 2.015000  1.384000       4.030000  
1 1 1 28 9  5  o 34.41000 0.8910000 0.7654000E-01  1.782000  
1 1 1 28 9  7  o 24.13000 1.358000  -1.972000      2.715000  
1 1 1 28 9  9  o 6.551000 1.996000  0.9344000E-01  3.991000  
1 1 1 28 9  11 o 20.13000 1.457000  -0.5907000     2.914000  
1 1 1 28 9  13 o 26.74000 1.250000  -4.476000      2.499000  
1 1 1 28 9  15 o 21.29000 1.672000  -0.1846000     3.344000  
1 1 1 28 9  17 o 31.70000 1.095000  -2.562000      2.190000  
1 1 1 28 9  19 o 43.34000 0.8799000 0.5749000      1.760000  
1 1 1 28 9  21 o 26.05000 1.032000  0.9464000      2.064000  
1 1 1 28 9  23 o 20.27000 1.323000  1.550000       2.645000  
1 1 1 28 9  25 f 22.65000 1.099000  1.171000       2.199000  
1 1 1 28 9  27 o 6.205000 1.906000  -0.6160000     3.812000  
1 1 1 28 9  29 o 8.984000 2.300000  1.728000       4.600000  
1 1 1 28 9  31 o 9.647000 4.553000  ?              ?         
1 1 1 28 10 0  o 63.79000 1.569000  0.000000       0.000000  
1 1 1 28 10 2  o 29.01000 1.077000  -1.650000      2.155000  
1 1 1 28 10 4  o 11.55000 1.765000  0.2867000      3.531000  
1 1 1 28 10 6  o 44.57000 1.071000  -1.138000      2.142000  
1 1 1 28 10 8  o 31.61000 1.078000  0.2921000      2.156000  
1 1 1 28 10 10 o 35.92000 1.056000  -0.5572000     2.112000  
1 1 1 28 10 12 o 26.98000 1.473000  -0.8443000E-01 2.947000  
1 1 1 28 10 14 o 40.50000 1.164000  -2.259000      2.329000  
1 1 1 28 10 16 o 33.52000 1.168000  -0.3005000     2.337000  
1 1 1 28 10 18 o 22.79000 1.160000  0.3299000      2.319000  
1 1 1 28 10 20 o 6.278000 1.870000  -0.7656000     3.739000  
1 1 1 28 10 22 o 34.90000 0.9153000 1.274000       1.831000  
1 1 1 28 10 24 o 33.67000 0.9260000 -2.541000      1.852000  
1 1 1 28 10 26 f 7.430000 2.189000  -1.877000      4.379000  
1 1 1 28 10 28 o 8.191000 2.263000  0.7453000      4.527000  
1 1 1 28 10 30 o 11.30000 4.266000  ?              ?         
1 1 1 28 11 1  f 24.27000 1.288000  1.354000       2.576000  
1 1 1 28 11 3  o 10.05000 2.222000  -0.7217000     4.443000  
1 1 1 28 11 5  o 51.61000 1.065000  1.677000       2.131000  
1 1 1 28 11 7  o 46.25000 0.9875000 -0.9009000     1.975000  
1 1 1 28 11 9  o 24.98000 1.273000  -0.3672000     2.547000  
1 1 1 28 11 11 o 43.22000 1.022000  2.031000       2.043000  
1 1 1 28 11 13 o 19.12000 2.110000  5.295000       4.221000  
1 1 1 28 11 15 o 20.33000 1.668000  -0.6308000     3.336000  
1 1 1 28 11 17 o 12.10000 2.077000  -0.3493000     4.154000  
1 1 1 28 11 19 f 34.05000 0.9616000 -1.205000      1.923000  
1 1 1 28 11 21 o 39.00000 0.9518000 0.6039000      1.904000  
1 1 1 28 11 23 o 8.514000 2.034000  -0.7498000E-01 4.067000  
1 1 1 28 11 25 o 36.32000 1.009000  0.1908000      2.019000  
1 1 1 28 11 27 o 9.668000 2.329000  1.435000       4.658000  
1 1 1 28 11 29 o 22.62000 2.129000  2.882000       4.258000  
1 1 1 28 12 0  o 29.50000 1.428000  0.000000       0.000000  
1 1 1 28 12 2  o 22.66000 1.465000  -0.3702000     2.931000  
1 1 1 28 12 4  f 52.63000 1.093000  -1.161000      2.186000  
1 1 1 28 12 6  o 30.18000 1.207000  -1.110000      2.413000  
1 1 1 28 12 8  o 6.284000 2.032000  0.1770000E-01  4.064000  
1 1 1 28 12 10 o 45.22000 1.270000  -2.160000      2.540000  
1 1 1 28 12 12 o 42.80000 1.102000  -0.2709000     2.205000  
1 1 1 28 12 14 o 40.99000 1.042000  -2.874000      2.084000  
1 1 1 28 12 16 f 23.35000 1.145000  -2.454000      2.290000  
1 1 1 28 12 18 f 38.80000 0.9187000 0.9203000      1.837000  
1 1 1 28 12 20 o 40.96000 0.9101000 -1.054000      1.820000  
1 1 1 28 12 22 o 6.857000 1.908000  0.2955000      3.817000  
1 1 1 28 12 24 o 15.38000 1.687000  -0.8996000     3.374000  
1 1 1 28 12 26 o 16.01000 1.587000  -3.752000      3.174000  
1 1 1 28 12 28 o 10.32000 2.736000  -5.475000      5.472000  
1 1 1 28 12 30 o 9.324000 3.963000  ?              ?         
1 1 1 28 13 1  o 25.38000 1.221000  0.2620000E-01  2.441000  
1 1 1 28 13 3  o 12.97000 2.243000  0.2831000      4.485000  
1 1 1 28 13 5  o 15.14000 2.255000  2.952000       4.510000  
1 1 1 28 13 7  o 22.94000 1.487000  0.3384000      2.974000  
1 1 1 28 13 9  o 28.80000 1.661000  -2.737000      3.323000  
1 1 1 28 13 11 o 36.14000 1.183000  0.8241000      2.365000  
1 1 1 28 13 13 o 32.69000 1.302000  -0.4143000     2.605000  
1 1 1 28 13 15 o 34.51000 0.9764000 1.702000       1.953000  
1 1 1 28 13 17 o 24.64000 1.117000  -0.1020000     2.234000  
1 1 1 28 13 19 o 40.79000 0.9291000 1.012000       1.858000  
1 1 1 28 13 21 f 21.53000 1.160000  -3.299000      2.320000  
1 1 1 28 13 23 o 11.89000 1.962000  -2.417000      3.925000  
1 1 1 28 13 25 o 15.75000 1.853000  1.325000       3.707000  
1 1 1 28 13 27 o 11.46000 2.302000  -0.4127000E-01 4.603000  
1 1 1 28 14 0  o 8.183000 3.339000  0.000000       0.000000  
1 1 1 28 14 2  f 5.233000 1.792000  -0.3405000     3.584000  
1 1 1 28 14 4  o 26.66000 1.430000  -0.8337000     2.860000  
1 1 1 28 14 6  o 23.23000 1.459000  -1.448000      2.919000  
1 1 1 28 14 8  o 37.80000 1.174000  -1.882000      2.348000  
1 1 1 28 14 10 o 34.42000 1.408000  1.130000       2.815000  
1 1 1 28 14 12 o 19.74000 1.686000  -1.875000      3.373000  
1 1 1 28 14 14 o 11.78000 2.115000  0.3241000      4.231000  
1 1 1 28 14 16 f 33.55000 1.041000  -1.248000      2.082000  
1 1 1 28 14 18 o 36.65000 0.9469000 -0.6046000     1.894000  
1 1 1 28 14 20 o 9.825000 2.089000  1.669000       4.179000  
1 1 1 28 14 22 o 12.73000 1.971000  1.395000       3.942000  
1 1 1 28 14 24 o 24.68000 1.563000  -1.493000      3.126000  
1 1 1 28 14 26 o 7.270000 2.145000  -2.395000      4.290000  
1 1 1 28 14 28 o 23.12000 3.019000  ?              ?         
1 1 1 28 15 1  o 36.10000 1.158000  0.5009000      2.315000  
1 1 1 28 15 3  o 27.47000 1.623000  1.340000       3.246000  
1 1 1 28 15 5  o 25.19000 1.625000  -0.5413000     3.250000  
1 1 1 28 15 7  f 26.27000 1.448000  -1.775000      2.896000  
1 1 1 28 15 9  o 39.28000 1.094000  -0.7313000     2.187000  
1 1 1 28 15 11 o 6.744000 2.121000  -1.218000      4.242000  
1 1 1 28 15 13 o 48.31000 0.9499000 -1.318000      1.900000  
1 1 1 28 15 15 o 28.68000 1.031000  -1.207000      2.062000  
1 1 1 28 15 17 o 53.05000 0.9664000 -3.448000      1.933000  
1 1 1 28 15 19 o 25.72000 1.074000  -1.385000      2.148000  
1 1 1 28 15 21 o 20.58000 1.273000  -0.5764000     2.547000  
1 1 1 28 15 23 o 21.16000 1.347000  -0.6786000E-01 2.695000  
1 1 1 28 15 25 o 16.25000 1.772000  -1.158000      3.544000  
1 1 1 28 15 27 o 22.44000 2.582000  0.3052000      5.164000  
1 1 1 28 16 0  o 10.38000 4.051000  0.000000       0.000000  
1 1 1 28 16 2  o 45.23000 1.296000  1.358000       2.592000  
1 1 1 28 16 4  o 16.87000 2.475000  -0.3555000     4.949000  
1 1 1 28 16 6  o 28.55000 1.389000  -0.3855000E-01 2.779000  
1 1 1 28 16 8  o 46.85000 1.047000  -1.052000      2.093000  
1 1 1 28 16 10 o 53.17000 1.073000  1.183000       2.146000  
1 1 1 28 16 12 o 31.83000 1.017000  -1.537000      2.035000  
1 1 1 28 16 14 o 27.35000 1.039000  -1.023000      2.077000  
1 1 1 28 16 16 o 23.07000 1.121000  -1.149000      2.242000  
1 1 1 28 16 18 o 23.44000 1.090000  -3.950000      2.180000  
1 1 1 28 16 20 o 10.69000 2.126000  2.188000       4.253000  
1 1 1 28 16 22 o 22.48000 1.178000  -2.197000      2.355000  
1 1 1 28 16 24 o 32.49000 1.181000  0.7573000      2.363000  
1 1 1 28 16 26 o 17.45000 2.346000  -2.662000      4.691000  
1 1 1 28 17 1  o 16.56000 2.551000  1.246000       5.101000  
1 1 1 28 17 3  o 22.15000 1.719000  -1.837000      3.438000  
1 1 1 28 17 5  o 63.86000 1.168000  -1.958000      2.336000  
1 1 1 28 17 7  o 13.94000 2.231000  -2.891000      4.462000  
1 1 1 28 17 9  o 12.02000 2.160000  -0.6219000     4.320000  
1 1 1 28 17 11 o 9.376000 2.448000  1.174000       4.897000  
1 1 1 28 17 13 o 13.72000 1.941000  -0.5594000     3.882000  
1 1 1 28 17 15 o 25.70000 1.143000  0.9087000E-02  2.287000  
1 1 1 28 17 17 o 42.45000 0.9308000 1.075000       1.862000  
1 1 1 28 17 19 o 21.97000 1.201000  -0.2706000     2.402000  
1 1 1 28 17 21 o 27.82000 1.055000  -0.5787000     2.111000  
1 1 1 28 17 23 o 6.812000 2.125000  -1.222000      4.250000  
1 1 1 28 17 25 f 28.10000 1.770000  3.170000       3.539000  
1 1 1 28 17 27 o 9.974000 4.323000  ?              ?         
1 1 1 28 18 0  o 11.09000 3.926000  0.000000       0.000000  
1 1 1 28 18 2  o 36.79000 1.295000  -0.3535000E-01 2.590000  
1 1 1 28 18 4  o 39.14000 1.094000  0.9229000E-01  2.188000  
1 1 1 28 18 6  o 27.48000 1.162000  0.2803000      2.323000  
1 1 1 28 18 8  o 6.233000 1.960000  0.3854000      3.921000  
1 1 1 28 18 10 o 8.811000 2.095000  4.515000       4.189000  
1 1 1 28 18 12 o 9.850000 2.285000  -0.7421000     4.570000  
1 1 1 28 18 14 o 21.67000 1.273000  1.636000       2.546000  
1 1 1 28 18 16 o 41.18000 0.9501000 -1.308000      1.900000  
1 1 1 28 18 18 o 25.13000 1.134000  -0.3067000     2.268000  
1 1 1 28 18 20 f 8.971000 2.190000  -2.543000      4.380000  
1 1 1 28 18 22 o 24.08000 1.378000  -4.413000      2.757000  
1 1 1 28 18 24 o 41.15000 1.375000  2.078000       2.750000  
1 1 1 28 18 26 o 15.14000 3.317000  -12.48000      6.634000  
1 1 1 28 19 1  o 12.01000 2.696000  -1.187000      5.391000  
1 1 1 28 19 3  f 37.52000 1.100000  1.265000       2.200000  
1 1 1 28 19 5  o 28.24000 1.139000  -0.8016000     2.277000  
1 1 1 28 19 7  o 17.01000 1.699000  -0.1716000     3.399000  
1 1 1 28 19 9  o 44.82000 0.9518000 0.4011000      1.904000  
1 1 1 28 19 11 o 30.55000 1.050000  0.6007000      2.099000  
1 1 1 28 19 13 o 35.63000 1.013000  1.286000       2.026000  
1 1 1 28 19 15 o 24.34000 1.182000  -0.7084000E-01 2.364000  
1 1 1 28 19 17 o 20.21000 1.344000  -0.5120000     2.688000  
1 1 1 28 19 19 o 8.992000 2.204000  -1.024000      4.409000  
1 1 1 28 19 21 f 9.741000 2.330000  -1.176000      4.660000  
1 1 1 28 19 23 o 25.78000 1.757000  2.915000       3.514000  
1 1 1 28 19 25 o 13.90000 3.540000  -8.414000      7.081000  
1 1 1 28 20 0  o 71.44000 1.958000  0.000000       0.000000  
1 1 1 28 20 2  o 19.55000 1.743000  -1.179000      3.485000  
1 1 1 28 20 4  o 21.65000 1.456000  0.5953000      2.911000  
1 1 1 28 20 6  o 10.48000 2.465000  0.2372000      4.930000  
1 1 1 28 20 8  o 25.06000 1.221000  0.1074000      2.442000  
1 1 1 28 20 10 o 13.32000 2.121000  2.376000       4.241000  
1 1 1 28 20 12 o 23.61000 1.515000  0.2103000      3.031000  
1 1 1 28 20 14 o 18.88000 1.437000  -0.8001000     2.874000  
1 1 1 28 20 16 o 37.15000 1.010000  -1.342000      2.019000  
1 1 1 28 20 18 o 9.573000 2.258000  0.4221000      4.517000  
1 1 1 28 20 20 o 6.345000 2.014000  -0.5558000     4.028000  
1 1 1 28 20 22 f 24.83000 1.813000  5.711000       3.626000  
1 1 1 28 20 24 o 14.01000 3.789000  -2.715000      7.579000  
1 1 1 28 21 1  o 37.49000 1.174000  2.188000       2.348000  
1 1 1 28 21 3  o 28.61000 1.323000  -0.8808000     2.645000  
1 1 1 28 21 5  o 19.20000 1.582000  2.931000       3.164000  
1 1 1 28 21 7  o 34.56000 1.058000  -1.885000      2.115000  
1 1 1 28 21 9  o 38.62000 1.037000  -2.111000      2.074000  
1 1 1 28 21 11 o 25.18000 1.235000  0.8552000      2.470000  
1 1 1 28 21 13 f 16.29000 1.878000  -0.2688000     3.756000  
1 1 1 28 21 15 o 16.44000 1.628000  -2.192000      3.256000  
1 1 1 28 21 17 o 29.75000 1.059000  -1.220000      2.119000  
1 1 1 28 21 19 o 15.19000 1.865000  -0.2830000     3.729000  
1 1 1 28 21 21 o 30.98000 1.673000  4.741000       3.347000  
1 1 1 28 21 23 o 20.64000 3.174000  -8.781000      6.347000  
1 1 1 28 22 0  o 8.158000 3.259000  0.000000       0.000000  
1 1 1 28 22 2  o 17.23000 1.924000  0.3297000      3.847000  
1 1 1 28 22 4  o 9.949000 2.255000  2.981000       4.510000  
1 1 1 28 22 6  o 27.92000 1.194000  1.412000       2.388000  
1 1 1 28 22 8  o 37.82000 1.030000  -3.171000      2.061000  
1 1 1 28 22 10 o 25.95000 1.199000  -2.167000      2.399000  
1 1 1 28 22 12 o 14.62000 2.023000  0.7937000      4.045000  
1 1 1 28 22 14 o 11.49000 2.269000  0.7386000      4.537000  
1 1 1 28 22 16 o 17.16000 1.689000  0.5800000E-01  3.378000  
1 1 1 28 22 18 o 8.167000 2.357000  -0.6311000     4.713000  
1 1 1 28 22 20 o 18.62000 2.866000  5.523000       5.733000  
1 1 1 28 22 22 o 22.39000 3.215000  -12.99000      6.431000  
1 1 1 28 23 1  o 26.50000 1.285000  -0.2732000E-01 2.570000  
1 1 1 28 23 3  o 9.667000 2.469000  3.214000       4.939000  
1 1 1 28 23 5  o 9.541000 2.550000  4.117000       5.100000  
1 1 1 28 23 7  o 11.05000 2.393000  -0.3444000     4.786000  
1 1 1 28 23 9  f 33.23000 1.117000  0.2099000      2.235000  
1 1 1 28 23 11 o 31.71000 1.130000  -1.458000      2.260000  
1 1 1 28 23 13 o 13.83000 2.002000  -2.759000      4.003000  
1 1 1 28 23 15 o 9.689000 2.374000  -0.6914000     4.748000  
1 1 1 28 23 17 o 9.349000 2.392000  -0.9189000E-01 4.784000  
1 1 1 28 23 19 o 15.10000 2.651000  -8.072000      5.301000  
1 1 1 28 23 21 o 10.20000 3.141000  -3.200000      6.283000  
1 1 1 28 24 0  o 24.03000 2.001000  0.000000       0.000000  
1 1 1 28 24 2  o 26.12000 1.328000  -1.549000      2.657000  
1 1 1 28 24 4  o 9.613000 2.623000  1.530000       5.246000  
1 1 1 28 24 6  o 9.783000 2.558000  -0.3452000     5.115000  
1 1 1 28 24 8  o 8.161000 2.432000  0.8483000      4.864000  
1 1 1 28 24 10 o 36.54000 1.136000  -2.387000      2.273000  
1 1 1 28 24 12 o 27.07000 1.219000  -1.617000      2.439000  
1 1 1 28 24 14 o 9.646000 2.536000  -1.099000      5.072000  
1 1 1 28 24 16 o 32.07000 1.466000  -0.6545000     2.932000  
1 1 1 28 24 18 o 34.85000 1.958000  -2.710000      3.917000  
1 1 1 28 24 20 o 10.33000 3.276000  -2.518000      6.552000  
1 1 1 28 25 1  o 27.80000 1.296000  -0.8663000     2.591000  
1 1 1 28 25 3  o 27.61000 1.318000  0.3717000      2.636000  
1 1 1 28 25 5  o 14.12000 2.362000  0.1418000      4.724000  
1 1 1 28 25 7  o 32.85000 1.313000  -3.353000      2.625000  
1 1 1 28 25 9  o 13.06000 2.327000  -2.214000      4.654000  
1 1 1 28 25 11 o 7.780000 2.295000  -0.2569000     4.590000  
1 1 1 28 25 13 o 19.70000 1.661000  -0.5972000     3.321000  
1 1 1 28 25 15 o 7.064000 2.315000  -1.048000      4.629000  
1 1 1 28 25 17 o 15.71000 3.939000  ?              ?         
1 1 1 28 26 0  o 33.55000 1.667000  0.000000       0.000000  
1 1 1 28 26 2  o 11.44000 2.420000  3.570000       4.839000  
1 1 1 28 26 4  o 9.542000 2.409000  3.219000       4.818000  
1 1 1 28 26 6  f 9.863000 2.394000  -2.623000      4.787000  
1 1 1 28 26 8  o 16.35000 2.220000  -1.575000      4.440000  
1 1 1 28 26 10 o 30.60000 1.333000  -1.004000      2.666000  
1 1 1 28 26 12 o 25.49000 1.482000  0.5780000E-01  2.963000  
1 1 1 28 26 14 o 11.36000 3.032000  -3.186000      6.065000  
1 1 1 28 26 16 o 13.37000 3.426000  6.076000       6.851000  
1 1 1 28 27 1  o 11.40000 2.520000  -2.963000      5.040000  
1 1 1 28 27 3  o 38.77000 1.153000  0.1273000      2.306000  
1 1 1 28 27 5  o 26.70000 1.424000  -0.7897000     2.847000  
1 1 1 28 27 7  o 13.14000 2.609000  -2.101000      5.218000  
1 1 1 28 27 9  o 8.735000 2.577000  1.578000       5.153000  
1 1 1 28 27 11 o 14.37000 3.200000  -3.862000      6.401000  
1 1 1 28 27 13 o 15.41000 4.094000  -2.479000      8.188000  
1 1 1 28 28 0  o 8.398000 3.877000  0.000000       0.000000  
1 1 1 28 28 2  o 13.25000 2.821000  0.1317000      5.643000  
1 1 1 28 28 4  o 11.56000 3.347000  1.872000       6.693000  
1 1 1 28 28 6  o 13.35000 3.530000  -4.846000      7.060000  
1 1 1 28 28 8  o 11.24000 2.989000  0.1205000      5.978000  
1 1 1 28 28 10 o 16.35000 4.294000  -4.271000      8.588000  
1 1 1 28 28 12 o 8.557000 2.807000  0.5633000      5.614000  
1 1 1 28 29 1  o 11.77000 3.111000  4.642000       6.222000  
1 1 1 28 29 3  o 20.17000 2.644000  -4.411000      5.289000  
1 1 1 28 29 5  o 33.13000 2.324000  4.322000       4.647000  
1 1 1 28 29 7  o 36.93000 1.835000  0.9910000      3.670000  
1 1 1 28 29 9  o 9.926000 3.081000  0.5102000      6.163000  
1 1 1 28 30 0  o 15.36000 4.724000  0.000000       0.000000  
1 1 1 28 30 2  o 8.944000 2.874000  2.252000       5.747000  
1 1 1 28 30 4  o 13.94000 3.216000  -0.7299000     6.432000  
1 1 1 28 30 6  o 16.63000 3.036000  -1.130000      6.072000  
1 1 1 29 0  1  o 13.31000 2.189000  0.000000       0.000000  
1 1 1 29 0  3  o 24.03000 3.350000  0.000000       0.000000  
1 1 1 29 0  5  o 26.82000 1.486000  0.000000       0.000000  
1 1 1 29 0  7  o 13.56000 2.112000  0.000000       0.000000  
1 1 1 29 0  9  o 58.07000 1.288000  0.000000       0.000000  
1 1 1 29 0  11 o 41.26000 1.251000  0.000000       0.000000  
1 1 1 29 0  13 o 41.05000 1.479000  0.000000       0.000000  
1 1 1 29 0  15 o 27.45000 1.587000  0.000000       0.000000  
1 1 1 29 0  17 o 13.09000 2.585000  0.000000       0.000000  
1 1 1 29 0  19 o 36.49000 1.248000  0.000000       0.000000  
1 1 1 29 0  21 o 35.30000 1.195000  0.000000       0.000000  
1 1 1 29 0  23 o 7.341000 2.889000  0.000000       0.000000  
1 1 1 29 0  25 o 42.73000 1.240000  0.000000       0.000000  
1 1 1 29 0  27 o 9.984000 3.046000  0.000000       0.000000  
1 1 1 29 0  29 o 9.615000 3.717000  0.000000       0.000000  
1 1 1 29 1  0  o 7.728000 2.649000  0.000000       0.000000  
1 1 1 29 1  2  o 18.45000 1.247000  0.2392000      2.494000  
1 1 1 29 1  4  o 26.03000 1.162000  -0.2404000     2.324000  
1 1 1 29 1  6  o 22.63000 0.9695000 1.322000       1.939000  
1 1 1 29 1  8  o 33.24000 0.8486000 0.4785000      1.697000  
1 1 1 29 1  10 o 34.11000 0.8731000 0.2679000      1.746000  
1 1 1 29 1  12 o 25.82000 1.210000  0.6355000      2.420000  
1 1 1 29 1  14 o 38.92000 1.117000  1.753000       2.234000  
1 1 1 29 1  16 o 22.24000 1.307000  -1.409000      2.614000  
1 1 1 29 1  18 o 15.12000 1.573000  -3.161000      3.147000  
1 1 1 29 1  20 o 19.98000 1.186000  -0.3490000     2.372000  
1 1 1 29 1  22 o 24.69000 1.053000  -1.249000      2.107000  
1 1 1 29 1  24 o 26.86000 1.043000  -1.329000      2.085000  
1 1 1 29 1  26 o 9.881000 2.091000  -0.6376000     4.181000  
1 1 1 29 1  28 o 9.937000 2.153000  -3.510000      4.306000  
1 1 1 29 1  30 f 21.00000 2.798000  1.366000       5.596000  
1 1 1 29 2  1  o 17.47000 1.285000  0.1546000      2.571000  
1 1 1 29 2  3  o 26.23000 1.201000  -0.5256000     2.402000  
1 1 1 29 2  5  f 29.72000 0.9679000 -0.8261000E-01 1.936000  
1 1 1 29 2  7  o 41.77000 0.8165000 1.755000       1.633000  
1 1 1 29 2  9  o 57.44000 0.9245000 0.8680000      1.849000  
1 1 1 29 2  11 o 70.47000 1.089000  -0.2908000     2.177000  
1 1 1 29 2  13 o 58.09000 1.053000  2.288000       2.107000  
1 1 1 29 2  15 o 84.36000 1.255000  0.9854000      2.509000  
1 1 1 29 2  17 o 11.85000 1.966000  0.2734000      3.932000  
1 1 1 29 2  19 o 13.57000 1.642000  2.033000       3.284000  
1 1 1 29 2  21 o 31.13000 0.9112000 1.147000       1.822000  
1 1 1 29 2  23 o 59.20000 0.9994000 -2.075000      1.999000  
1 1 1 29 2  25 o 36.98000 0.9301000 -1.210000      1.860000  
1 1 1 29 2  27 o 6.460000 1.977000  0.2866000      3.954000  
1 1 1 29 2  29 f 26.04000 1.600000  5.238000       3.201000  
1 1 1 29 3  0  o 53.88000 1.693000  0.000000       0.000000  
1 1 1 29 3  2  o 24.43000 2.060000  0.3955000      4.120000  
1 1 1 29 3  4  o 35.31000 1.095000  2.027000       2.189000  
1 1 1 29 3  6  o 15.43000 1.424000  0.3955000      2.848000  
1 1 1 29 3  8  o 15.75000 1.576000  -0.8164000     3.151000  
1 1 1 29 3  10 o 14.48000 1.856000  -0.8655000E-01 3.713000  
1 1 1 29 3  12 o 21.94000 1.651000  2.356000       3.301000  
1 1 1 29 3  14 o 25.08000 1.359000  0.8396000      2.718000  
1 1 1 29 3  16 o 22.56000 1.222000  -1.579000      2.444000  
1 1 1 29 3  18 o 43.31000 0.8539000 -0.8002000     1.708000  
1 1 1 29 3  20 o 28.06000 0.9454000 -1.492000      1.891000  
1 1 1 29 3  22 o 16.74000 1.517000  -0.1075000     3.034000  
1 1 1 29 3  24 o 23.50000 1.059000  0.4945000      2.117000  
1 1 1 29 3  26 o 16.23000 1.510000  -0.9025000     3.020000  
1 1 1 29 3  28 o 13.52000 2.033000  0.3539000      4.065000  
1 1 1 29 3  30 o 14.10000 3.207000  11.33000       6.414000  
1 1 1 29 4  1  o 24.22000 1.606000  1.442000       3.212000  
1 1 1 29 4  3  o 17.49000 1.705000  -1.073000      3.410000  
1 1 1 29 4  5  o 38.75000 1.120000  -0.7862000     2.240000  
1 1 1 29 4  7  o 25.05000 1.087000  0.5677000      2.175000  
1 1 1 29 4  9  o 57.93000 0.9963000 0.3653000      1.993000  
1 1 1 29 4  11 o 46.67000 0.9730000 -1.483000      1.946000  
1 1 1 29 4  13 o 44.19000 1.033000  1.254000       2.065000  
1 1 1 29 4  15 o 20.23000 1.430000  0.1240000      2.859000  
1 1 1 29 4  17 o 49.11000 0.8995000 1.569000       1.799000  
1 1 1 29 4  19 o 39.31000 0.8565000 -1.394000      1.713000  
1 1 1 29 4  21 o 11.80000 1.897000  1.819000       3.794000  
1 1 1 29 4  23 o 12.98000 1.701000  1.966000       3.402000  
1 1 1 29 4  25 o 12.96000 1.805000  0.9552000      3.609000  
1 1 1 29 4  27 o 8.730000 2.192000  -0.3617000     4.385000  
1 1 1 29 4  29 o 25.14000 1.535000  -9.304000      3.070000  
1 1 1 29 5  0  o 48.87000 1.728000  0.000000       0.000000  
1 1 1 29 5  2  o 44.73000 1.079000  -1.443000      2.158000  
1 1 1 29 5  4  o 33.81000 0.8952000 -2.370000      1.790000  
1 1 1 29 5  6  o 8.320000 2.167000  0.1250000      4.334000  
1 1 1 29 5  8  f 49.33000 0.9985000 -1.963000      1.997000  
1 1 1 29 5  10 o 63.52000 1.095000  2.089000       2.190000  
1 1 1 29 5  12 o 32.13000 1.226000  1.473000       2.451000  
1 1 1 29 5  14 o 8.494000 2.288000  -1.087000      4.576000  
1 1 1 29 5  16 o 18.17000 1.664000  5.093000       3.327000  
1 1 1 29 5  18 o 20.16000 1.169000  -1.202000      2.338000  
1 1 1 29 5  20 o 31.53000 0.8858000 -0.7588000     1.772000  
1 1 1 29 5  22 o 7.488000 2.032000  0.7971000      4.063000  
1 1 1 29 5  24 o 18.04000 1.314000  0.9246000      2.627000  
1 1 1 29 5  26 f 6.094000 1.884000  -0.5951000E-01 3.769000  
1 1 1 29 5  28 o 31.48000 1.034000  1.157000       2.068000  
1 1 1 29 5  30 o 9.815000 3.089000  -1.716000      6.178000  
1 1 1 29 6  1  o 14.15000 2.153000  -2.274000      4.306000  
1 1 1 29 6  3  o 39.56000 1.110000  0.6450000      2.221000  
1 1 1 29 6  5  o 44.18000 1.089000  -0.5877000     2.178000  
1 1 1 29 6  7  f 27.86000 1.145000  2.762000       2.290000  
1 1 1 29 6  9  o 43.80000 1.026000  -1.721000      2.051000  
1 1 1 29 6  11 o 88.15000 1.380000  -0.8158000     2.761000  
1 1 1 29 6  13 o 79.72000 1.224000  -5.055000      2.448000  
1 1 1 29 6  15 o 33.13000 1.056000  1.706000       2.113000  
1 1 1 29 6  17 o 10.78000 1.931000  -1.596000      3.861000  
1 1 1 29 6  19 o 19.58000 1.214000  1.909000       2.429000  
1 1 1 29 6  21 o 30.17000 0.8922000 0.3836000      1.784000  
1 1 1 29 6  23 o 52.64000 0.9073000 0.6171000      1.815000  
1 1 1 29 6  25 o 23.41000 1.066000  0.2196000      2.132000  
1 1 1 29 6  27 o 7.971000 2.087000  -0.4181000     4.175000  
1 1 1 29 6  29 o 16.90000 4.238000  -10.58000      8.477000  
1 1 1 29 7  0  o 26.13000 3.220000  0.000000       0.000000  
1 1 1 29 7  2  o 16.32000 1.642000  -0.2345000     3.284000  
1 1 1 29 7  4  o 23.17000 1.420000  -3.574000      2.839000  
1 1 1 29 7  6  o 8.652000 2.309000  0.5760000      4.618000  
1 1 1 29 7  8  o 50.96000 0.9842000 -1.556000      1.968000  
1 1 1 29 7  10 f 45.39000 1.180000  0.2631000      2.360000  
1 1 1 29 7  12 f 25.41000 1.414000  -2.042000      2.828000  
1 1 1 29 7  14 o 29.57000 1.144000  -0.8411000     2.287000  
1 1 1 29 7  16 o 24.20000 1.028000  -2.377000      2.057000  
1 1 1 29 7  18 o 16.77000 1.432000  0.1061000      2.863000  
1 1 1 29 7  20 f 6.360000 1.896000  -0.7831000     3.792000  
1 1 1 29 7  22 o 31.91000 0.8970000 1.525000       1.794000  
1 1 1 29 7  24 o 29.68000 0.9725000 0.5686000      1.945000  
1 1 1 29 7  26 o 21.57000 1.204000  2.181000       2.408000  
1 1 1 29 7  28 o 28.91000 1.607000  6.366000       3.215000  
1 1 1 29 8  1  o 18.45000 1.852000  -0.3923000     3.704000  
1 1 1 29 8  3  o 39.44000 1.173000  0.1782000      2.345000  
1 1 1 29 8  5  o 20.68000 1.356000  -0.1179000     2.713000  
1 1 1 29 8  7  o 30.65000 1.134000  -0.8200000     2.267000  
1 1 1 29 8  9  o 26.94000 1.483000  -0.5625000     2.967000  
1 1 1 29 8  11 o 32.09000 1.187000  0.7658000      2.374000  
1 1 1 29 8  13 o 18.31000 1.660000  -0.4720000     3.320000  
1 1 1 29 8  15 o 23.49000 1.110000  -0.8803000     2.220000  
1 1 1 29 8  17 o 39.88000 0.9382000 -1.003000      1.876000  
1 1 1 29 8  19 o 26.79000 0.9637000 -1.356000      1.927000  
1 1 1 29 8  21 o 8.930000 2.043000  0.6347000      4.087000  
1 1 1 29 8  23 f 19.82000 1.168000  -1.570000      2.336000  
1 1 1 29 8  25 o 8.416000 2.051000  -2.076000      4.101000  
1 1 1 29 8  27 o 8.415000 2.393000  0.9063000E-01  4.786000  
1 1 1 29 8  29 o 15.80000 3.382000  8.051000       6.764000  
1 1 1 29 9  0  o 6.037000 2.783000  0.000000       0.000000  
1 1 1 29 9  2  o 13.04000 2.351000  0.2293000      4.702000  
1 1 1 29 9  4  o 25.81000 1.541000  0.7710000      3.083000  
1 1 1 29 9  6  o 14.79000 2.091000  -2.260000      4.182000  
1 1 1 29 9  8  o 24.99000 1.593000  -0.1674000     3.186000  
1 1 1 29 9  10 o 37.45000 1.156000  -1.523000      2.312000  
1 1 1 29 9  12 o 9.572000 2.393000  -3.879000      4.786000  
1 1 1 29 9  14 o 44.46000 0.9260000 -1.026000      1.852000  
1 1 1 29 9  16 o 60.94000 1.055000  -1.243000      2.109000  
1 1 1 29 9  18 o 29.44000 0.9931000 -0.6972000     1.986000  
1 1 1 29 9  20 o 10.50000 2.055000  -1.009000      4.109000  
1 1 1 29 9  22 o 23.10000 1.143000  -0.5496000     2.285000  
1 1 1 29 9  24 o 17.73000 1.529000  -1.132000      3.058000  
1 1 1 29 9  26 o 6.642000 2.061000  0.4224000      4.122000  
1 1 1 29 9  28 o 27.04000 1.656000  8.072000       3.313000  
1 1 1 29 10 1  o 35.17000 1.048000  0.7590000      2.095000  
1 1 1 29 10 3  o 9.623000 2.516000  -1.754000      5.033000  
1 1 1 29 10 5  o 46.73000 1.056000  -1.471000      2.113000  
1 1 1 29 10 7  o 44.93000 1.147000  0.3138000      2.294000  
1 1 1 29 10 9  o 34.75000 1.227000  2.341000       2.454000  
1 1 1 29 10 11 o 54.83000 1.080000  -2.548000      2.160000  
1 1 1 29 10 13 o 28.41000 1.085000  -0.5909000     2.171000  
1 1 1 29 10 15 o 18.66000 1.397000  -1.613000      2.794000  
1 1 1 29 10 17 o 23.18000 1.131000  -1.166000      2.262000  
1 1 1 29 10 19 o 21.63000 1.127000  -1.709000      2.254000  
1 1 1 29 10 21 o 17.15000 1.335000  -3.437000      2.670000  
1 1 1 29 10 23 o 29.28000 1.006000  0.4226000      2.011000  
1 1 1 29 10 25 o 28.19000 1.000000  -3.585000      2.001000  
1 1 1 29 10 27 o 38.31000 1.399000  2.893000       2.798000  
1 1 1 29 11 0  o 81.35000 1.701000  0.000000       0.000000  
1 1 1 29 11 2  o 39.31000 1.201000  0.6255000      2.401000  
1 1 1 29 11 4  o 18.69000 2.048000  2.907000       4.096000  
1 1 1 29 11 6  o 27.56000 1.364000  1.379000       2.728000  
1 1 1 29 11 8  o 38.53000 1.456000  -0.4425000E-03 2.912000  
1 1 1 29 11 10 o 21.62000 1.564000  0.7412000      3.127000  
1 1 1 29 11 12 o 8.257000 2.286000  0.3314000      4.572000  
1 1 1 29 11 14 o 18.24000 1.404000  0.8531000      2.808000  
1 1 1 29 11 16 o 10.45000 2.045000  1.323000       4.090000  
1 1 1 29 11 18 o 13.87000 1.678000  3.818000       3.357000  
1 1 1 29 11 20 o 37.87000 1.067000  -1.049000      2.135000  
1 1 1 29 11 22 o 20.75000 1.247000  -1.731000      2.494000  
1 1 1 29 11 24 o 24.97000 1.078000  -0.5620000     2.156000  
1 1 1 29 11 26 o 11.66000 2.442000  -0.9684000E-01 4.885000  
1 1 1 29 11 28 o 8.980000 2.833000  -5.059000      5.667000  
1 1 1 29 12 1  o 36.08000 1.480000  -3.741000      2.960000  
1 1 1 29 12 3  o 64.85000 1.346000  1.184000       2.691000  
1 1 1 29 12 5  o 55.71000 1.063000  -1.078000      2.127000  
1 1 1 29 12 7  o 47.64000 1.023000  -0.7404000     2.046000  
1 1 1 29 12 9  o 21.22000 1.549000  -4.630000      3.098000  
1 1 1 29 12 11 o 42.54000 1.003000  -1.117000      2.007000  
1 1 1 29 12 13 o 45.36000 0.9134000 -0.5320000     1.827000  
1 1 1 29 12 15 o 31.25000 0.9559000 -2.337000      1.912000  
1 1 1 29 12 17 o 14.02000 1.661000  -1.056000      3.322000  
1 1 1 29 12 19 o 17.54000 1.426000  -0.4739000     2.851000  
1 1 1 29 12 21 o 36.52000 0.9327000 -0.3617000     1.865000  
1 1 1 29 12 23 o 12.56000 1.863000  -1.812000      3.726000  
1 1 1 29 12 25 o 11.10000 2.409000  -1.824000      4.817000  
1 1 1 29 12 27 o 18.55000 2.903000  -2.110000      5.806000  
1 1 1 29 13 0  o 77.71000 1.967000  0.000000       0.000000  
1 1 1 29 13 2  o 37.88000 1.344000  -1.994000      2.688000  
1 1 1 29 13 4  o 9.628000 2.553000  -0.9128000     5.107000  
1 1 1 29 13 6  o 27.84000 1.279000  -1.187000      2.557000  
1 1 1 29 13 8  o 7.849000 2.270000  -0.6052000     4.541000  
1 1 1 29 13 10 o 12.45000 2.057000  0.6214000      4.114000  
1 1 1 29 13 12 o 32.57000 0.9355000 -2.505000      1.871000  
1 1 1 29 13 14 o 9.337000 2.115000  -0.4743000     4.229000  
1 1 1 29 13 16 o 21.72000 1.232000  -0.7691000     2.464000  
1 1 1 29 13 18 o 12.85000 1.855000  1.309000       3.709000  
1 1 1 29 13 20 o 38.89000 0.9415000 0.6804000      1.883000  
1 1 1 29 13 22 o 15.50000 1.520000  -2.118000      3.039000  
1 1 1 29 13 24 f 19.11000 1.354000  -1.959000      2.707000  
1 1 1 29 13 26 o 19.60000 3.067000  4.053000       6.134000  
1 1 1 29 14 1  o 28.64000 1.362000  -0.2429000E-01 2.723000  
1 1 1 29 14 3  o 8.025000 2.394000  0.8914000      4.788000  
1 1 1 29 14 5  o 40.82000 1.054000  -1.327000      2.109000  
1 1 1 29 14 7  o 13.66000 2.162000  0.8693000      4.323000  
1 1 1 29 14 9  o 26.95000 1.319000  -0.3547000     2.637000  
1 1 1 29 14 11 o 21.91000 1.212000  -0.4440000     2.424000  
1 1 1 29 14 13 o 17.98000 1.399000  -2.036000      2.798000  
1 1 1 29 14 15 o 25.83000 1.058000  -1.224000      2.117000  
1 1 1 29 14 17 o 30.13000 1.035000  0.9548000      2.071000  
1 1 1 29 14 19 o 37.17000 0.9291000 -0.3924000     1.858000  
1 1 1 29 14 21 o 9.559000 2.141000  0.8673000      4.281000  
1 1 1 29 14 23 o 34.23000 1.027000  -0.5839000     2.055000  
1 1 1 29 14 25 o 26.45000 1.831000  1.954000       3.662000  
1 1 1 29 15 0  o 19.38000 2.904000  0.000000       0.000000  
1 1 1 29 15 2  o 21.16000 1.605000  0.5841000      3.209000  
1 1 1 29 15 4  o 24.34000 1.526000  -1.323000      3.053000  
1 1 1 29 15 6  o 19.48000 1.437000  -2.335000      2.874000  
1 1 1 29 15 8  o 14.56000 1.786000  1.544000       3.572000  
1 1 1 29 15 10 o 22.89000 1.165000  -1.114000      2.331000  
1 1 1 29 15 12 o 32.11000 1.003000  1.650000       2.007000  
1 1 1 29 15 14 o 32.57000 0.9483000 -1.692000      1.897000  
1 1 1 29 15 16 o 29.17000 1.016000  -2.299000      2.032000  
1 1 1 29 15 18 o 15.69000 1.621000  -1.073000      3.243000  
1 1 1 29 15 20 o 19.50000 1.438000  -2.368000      2.876000  
1 1 1 29 15 22 o 27.13000 1.135000  -3.021000      2.270000  
1 1 1 29 15 24 o 29.84000 2.109000  -0.2089000     4.218000  
1 1 1 29 15 26 o 8.276000 3.990000  ?              ?         
1 1 1 29 16 1  o 38.49000 1.143000  2.542000       2.285000  
1 1 1 29 16 3  o 9.259000 2.335000  0.3253000      4.669000  
1 1 1 29 16 5  o 49.49000 1.018000  -0.8109000E-01 2.036000  
1 1 1 29 16 7  o 14.71000 1.851000  -2.314000      3.703000  
1 1 1 29 16 9  o 21.63000 1.269000  -1.276000      2.538000  
1 1 1 29 16 11 o 11.32000 2.162000  -0.3162000     4.325000  
1 1 1 29 16 13 o 8.901000 2.217000  -0.5591000     4.434000  
1 1 1 29 16 15 o 7.385000 2.063000  -1.455000      4.127000  
1 1 1 29 16 17 f 27.57000 1.033000  -2.864000      2.065000  
1 1 1 29 16 19 o 18.02000 1.392000  -1.576000      2.783000  
1 1 1 29 16 21 f 13.97000 1.961000  -0.1038000     3.922000  
1 1 1 29 16 23 o 11.80000 2.259000  -1.346000      4.518000  
1 1 1 29 16 25 o 18.08000 5.183000  ?              ?         
1 1 1 29 17 0  o 26.99000 1.653000  0.000000       0.000000  
1 1 1 29 17 2  o 26.13000 1.286000  1.356000       2.571000  
1 1 1 29 17 4  o 10.04000 2.301000  -2.938000      4.603000  
1 1 1 29 17 6  o 17.11000 1.653000  0.9079000      3.305000  
1 1 1 29 17 8  o 28.27000 1.078000  -0.1612000     2.156000  
1 1 1 29 17 10 o 50.81000 0.9477000 -4.359000      1.895000  
1 1 1 29 17 12 o 45.81000 0.9400000 -4.146000      1.880000  
1 1 1 29 17 14 o 19.67000 1.339000  -1.055000      2.679000  
1 1 1 29 17 16 o 21.70000 1.221000  0.6380000      2.442000  
1 1 1 29 17 18 o 8.417000 2.193000  -1.409000      4.386000  
1 1 1 29 17 20 o 6.825000 2.029000  -0.8425000     4.058000  
1 1 1 29 17 22 f 9.533000 2.377000  -0.4544000     4.754000  
1 1 1 29 17 24 o 23.89000 3.261000  8.769000       6.522000  
1 1 1 29 18 1  o 10.79000 2.251000  3.969000       4.503000  
1 1 1 29 18 3  o 42.12000 1.113000  0.4478000      2.225000  
1 1 1 29 18 5  o 49.40000 1.034000  0.7916000      2.067000  
1 1 1 29 18 7  f 12.41000 2.160000  1.150000       4.320000  
1 1 1 29 18 9  o 24.87000 1.175000  1.055000       2.351000  
1 1 1 29 18 11 o 13.45000 2.178000  -7.003000      4.357000  
1 1 1 29 18 13 o 48.11000 0.9624000 -0.6075000     1.925000  
1 1 1 29 18 15 o 20.92000 1.288000  0.9658000      2.575000  
1 1 1 29 18 17 o 17.44000 1.450000  -1.334000      2.900000  
1 1 1 29 18 19 o 19.75000 1.421000  0.6499000      2.843000  
1 1 1 29 18 21 o 22.32000 1.431000  -1.891000      2.862000  
1 1 1 29 18 23 o 13.21000 4.712000  ?              ?         
1 1 1 29 19 0  o 15.28000 2.565000  0.000000       0.000000  
1 1 1 29 19 2  o 7.612000 2.170000  -1.717000      4.341000  
1 1 1 29 19 4  o 22.09000 1.501000  0.7598000E-01  3.001000  
1 1 1 29 19 6  o 26.63000 1.296000  -0.4402000     2.592000  
1 1 1 29 19 8  o 11.50000 2.114000  -1.924000      4.227000  
1 1 1 29 19 10 o 17.91000 1.487000  2.799000       2.973000  
1 1 1 29 19 12 f 18.61000 1.479000  -0.3631000     2.958000  
1 1 1 29 19 14 o 12.33000 2.065000  1.215000       4.130000  
1 1 1 29 19 16 o 19.26000 1.388000  -2.491000      2.777000  
1 1 1 29 19 18 o 6.553000 2.027000  -0.5723000     4.055000  
1 1 1 29 19 20 o 6.832000 2.117000  -0.7328000     4.233000  
1 1 1 29 20 1  o 33.42000 1.081000  -0.1734000     2.163000  
1 1 1 29 20 3  o 34.39000 1.209000  0.8801000      2.419000  
1 1 1 29 20 5  o 16.66000 1.959000  0.3147000      3.919000  
1 1 1 29 20 7  o 29.55000 1.169000  1.490000       2.339000  
1 1 1 29 20 9  o 20.76000 1.413000  0.2384000      2.825000  
1 1 1 29 20 11 o 28.17000 1.128000  0.3267000      2.255000  
1 1 1 29 20 13 o 25.70000 1.149000  -0.8074000     2.298000  
1 1 1 29 20 15 o 7.073000 2.105000  -0.5952000     4.210000  
1 1 1 29 20 17 f 8.815000 2.280000  -0.5929000     4.559000  
1 1 1 29 20 19 o 7.587000 2.250000  0.4521000      4.500000  
1 1 1 29 20 21 o 10.65000 3.194000  -0.4654000     6.389000  
1 1 1 29 21 0  o 19.08000 2.467000  0.000000       0.000000  
1 1 1 29 21 2  o 15.74000 1.928000  0.1794000      3.855000  
1 1 1 29 21 4  o 8.873000 2.381000  -1.505000      4.761000  
1 1 1 29 21 6  o 32.90000 1.202000  -0.2604000     2.405000  
1 1 1 29 21 8  o 12.11000 2.300000  -0.3579000     4.600000  
1 1 1 29 21 10 o 25.97000 1.268000  -3.752000      2.537000  
1 1 1 29 21 12 o 13.76000 2.394000  -0.4093000     4.789000  
1 1 1 29 21 14 o 6.918000 2.124000  0.6595000      4.249000  
1 1 1 29 21 16 o 8.661000 2.301000  0.4623000      4.603000  
1 1 1 29 21 18 o 19.01000 2.351000  0.4527000      4.702000  
1 1 1 29 21 20 o 30.36000 3.005000  -0.7467000     6.009000  
1 1 1 29 22 1  o 35.97000 1.097000  -0.2403000     2.194000  
1 1 1 29 22 3  o 15.74000 2.034000  -1.177000      4.067000  
1 1 1 29 22 5  o 14.58000 2.289000  -0.7012000     4.579000  
1 1 1 29 22 7  o 19.63000 1.742000  -0.1548000     3.483000  
1 1 1 29 22 9  o 26.15000 1.302000  1.066000       2.603000  
1 1 1 29 22 11 o 14.55000 2.038000  -0.5452000     4.076000  
1 1 1 29 22 13 o 19.11000 1.630000  -1.746000      3.260000  
1 1 1 29 22 15 o 21.72000 1.492000  -0.6689000     2.985000  
1 1 1 29 22 17 o 42.95000 1.415000  5.657000       2.829000  
1 1 1 29 22 19 o 20.49000 4.017000  0.7657000      8.034000  
1 1 1 29 23 0  o 10.85000 3.452000  0.000000       0.000000  
1 1 1 29 23 2  o 28.47000 1.262000  0.2478000      2.524000  
1 1 1 29 23 4  o 7.762000 2.239000  -1.591000      4.478000  
1 1 1 29 23 6  o 7.811000 2.354000  1.560000       4.707000  
1 1 1 29 23 8  o 16.81000 2.342000  0.9067000      4.684000  
1 1 1 29 23 10 o 14.94000 2.232000  -0.4218000     4.465000  
1 1 1 29 23 12 o 14.74000 2.082000  -1.945000      4.164000  
1 1 1 29 23 14 o 19.64000 1.636000  -3.370000      3.272000  
1 1 1 29 23 16 o 57.26000 1.580000  -4.151000      3.160000  
1 1 1 29 23 18 o 12.64000 3.546000  -7.216000      7.092000  
1 1 1 29 24 1  o 15.41000 2.045000  -0.8156000     4.091000  
1 1 1 29 24 3  o 23.56000 1.419000  -0.9406000     2.837000  
1 1 1 29 24 5  o 14.04000 2.256000  2.090000       4.512000  
1 1 1 29 24 7  o 14.39000 2.448000  -2.620000      4.895000  
1 1 1 29 24 9  o 11.42000 2.736000  3.154000       5.471000  
1 1 1 29 24 11 o 10.12000 2.586000  0.8089000      5.172000  
1 1 1 29 24 13 o 14.87000 3.263000  3.421000       6.525000  
1 1 1 29 24 15 o 22.81000 3.135000  -3.991000      6.271000  
1 1 1 29 24 17 o 11.21000 4.921000  ?              ?         
1 1 1 29 25 0  o 20.35000 2.327000  0.000000       0.000000  
1 1 1 29 25 2  o 7.130000 2.209000  -2.017000      4.419000  
1 1 1 29 25 4  o 12.79000 2.420000  -0.5605000     4.840000  
1 1 1 29 25 6  o 6.433000 2.955000  ?              ?         
1 1 1 29 25 8  o 9.379000 2.596000  0.3924000E-01  5.192000  
1 1 1 29 25 10 o 34.54000 1.742000  -4.405000      3.483000  
1 1 1 29 25 12 o 40.29000 2.066000  1.529000       4.133000  
1 1 1 29 25 14 o 11.04000 4.862000  ?              ?         
1 1 1 29 26 1  o 10.42000 2.390000  2.005000       4.781000  
1 1 1 29 26 3  o 12.46000 3.015000  1.165000       6.029000  
1 1 1 29 26 5  o 15.42000 2.889000  0.5181000      5.778000  
1 1 1 29 26 7  o 8.458000 2.589000  -1.970000      5.178000  
1 1 1 29 26 9  o 19.20000 2.705000  -11.90000      5.409000  
1 1 1 29 26 11 o 19.46000 3.490000  -6.201000      6.980000  
1 1 1 29 26 13 o 11.18000 4.743000  ?              ?         
1 1 1 29 27 0  o 11.43000 4.192000  0.000000       0.000000  
1 1 1 29 27 2  o 10.53000 3.031000  0.9296000E-01  6.063000  
1 1 1 29 27 4  o 21.57000 2.691000  -8.743000      5.382000  
1 1 1 29 27 6  o 32.72000 1.785000  -0.9994000     3.569000  
1 1 1 29 27 10 o 14.99000 3.137000  -10.00000      6.274000  
1 1 1 29 28 1  o 28.24000 1.998000  -1.789000      3.997000  
1 1 1 29 28 3  f 18.39000 3.097000  3.263000       6.194000  
1 1 1 29 28 5  o 8.999000 2.831000  2.613000       5.662000  
1 1 1 29 28 7  o 10.64000 4.421000  ?              ?         
1 1 1 30 0  0  o 70.01000 3.138000  0.000000       0.000000  
1 1 1 30 0  2  o 56.83000 1.919000  0.000000       0.000000  
1 1 1 30 0  4  o 42.86000 1.267000  0.000000       0.000000  
1 1 1 30 0  6  o 36.22000 1.706000  0.000000       0.000000  
1 1 1 30 0  8  o 6.890000 3.078000  0.000000       0.000000  
1 1 1 30 0  10 o 16.50000 2.209000  0.000000       0.000000  
1 1 1 30 0  12 o 11.84000 2.920000  0.000000       0.000000  
1 1 1 30 0  14 o 44.06000 1.210000  0.000000       0.000000  
1 1 1 30 0  16 o 29.29000 1.289000  0.000000       0.000000  
1 1 1 30 0  18 o 17.73000 1.873000  0.000000       0.000000  
1 1 1 30 0  20 o 10.90000 2.660000  0.000000       0.000000  
1 1 1 30 0  22 o 7.869000 2.945000  0.000000       0.000000  
1 1 1 30 0  24 o 6.124000 2.639000  0.000000       0.000000  
1 1 1 30 0  26 o 7.566000 2.963000  0.000000       0.000000  
1 1 1 30 0  28 o 16.55000 5.773000  0.000000       0.000000  
1 1 1 30 1  1  o 23.95000 1.376000  1.411000       2.752000  
1 1 1 30 1  3  o 13.60000 2.455000  2.646000       4.911000  
1 1 1 30 1  5  o 45.44000 1.057000  -0.3413000     2.114000  
1 1 1 30 1  7  o 31.69000 1.259000  2.867000       2.517000  
1 1 1 30 1  9  o 50.68000 1.085000  -1.917000      2.170000  
1 1 1 30 1  11 o 10.67000 2.322000  -1.060000      4.643000  
1 1 1 30 1  13 o 43.94000 0.8716000 -0.6042000     1.743000  
1 1 1 30 1  15 o 45.35000 0.8547000 3.146000       1.709000  
1 1 1 30 1  17 o 27.72000 0.9550000 -0.5123000     1.910000  
1 1 1 30 1  19 o 23.04000 1.034000  2.535000       2.068000  
1 1 1 30 1  21 o 34.11000 0.9145000 -0.5393000     1.829000  
1 1 1 30 1  23 o 31.05000 0.9479000 -1.522000      1.896000  
1 1 1 30 1  25 o 24.75000 1.044000  -2.083000      2.089000  
1 1 1 30 1  27 o 40.04000 1.315000  2.517000       2.629000  
1 1 1 30 2  0  o 46.85000 1.507000  0.000000       0.000000  
1 1 1 30 2  2  o 29.60000 1.206000  2.683000       2.412000  
1 1 1 30 2  4  o 20.08000 1.533000  2.098000       3.065000  
1 1 1 30 2  6  o 31.96000 1.177000  3.081000       2.354000  
1 1 1 30 2  8  o 76.94000 1.312000  -1.304000      2.624000  
1 1 1 30 2  10 o 45.21000 1.021000  0.7981000      2.041000  
1 1 1 30 2  12 o 66.25000 1.111000  -2.059000      2.223000  
1 1 1 30 2  14 o 31.41000 0.9264000 0.4078000      1.853000  
1 1 1 30 2  16 o 13.79000 1.678000  -0.9772000     3.356000  
1 1 1 30 2  18 o 9.378000 2.047000  0.2352000      4.094000  
1 1 1 30 2  20 o 35.85000 0.8857000 1.077000       1.771000  
1 1 1 30 2  22 o 19.35000 1.268000  -1.058000      2.536000  
1 1 1 30 2  24 o 6.431000 1.934000  -0.3503000     3.868000  
1 1 1 30 2  26 o 10.18000 2.228000  1.086000       4.456000  
1 1 1 30 2  28 o 13.38000 3.713000  2.707000       7.427000  
1 1 1 30 3  1  o 28.26000 1.334000  3.772000       2.668000  
1 1 1 30 3  3  o 30.92000 1.211000  0.3861000      2.422000  
1 1 1 30 3  5  o 46.06000 1.220000  0.1326000      2.441000  
1 1 1 30 3  7  o 47.80000 1.024000  0.6467000      2.047000  
1 1 1 30 3  9  o 54.18000 1.066000  -2.792000      2.133000  
1 1 1 30 3  11 o 85.44000 1.316000  3.518000       2.632000  
1 1 1 30 3  13 o 33.32000 0.9631000 0.9028000      1.926000  
1 1 1 30 3  15 o 40.53000 0.8706000 -0.2356000     1.741000  
1 1 1 30 3  17 o 24.92000 1.023000  -0.5597000E-01 2.046000  
1 1 1 30 3  19 o 12.46000 1.731000  -0.3766000     3.462000  
1 1 1 30 3  21 o 21.87000 1.099000  0.9261000      2.198000  
1 1 1 30 3  23 o 16.84000 1.363000  1.500000       2.727000  
1 1 1 30 3  25 o 6.581000 2.003000  -0.5273000     4.007000  
1 1 1 30 3  27 o 34.72000 1.204000  5.384000       2.409000  
1 1 1 30 4  0  o 48.99000 1.516000  0.000000       0.000000  
1 1 1 30 4  2  o 37.70000 1.043000  1.411000       2.087000  
1 1 1 30 4  4  o 39.04000 1.302000  0.5107000      2.603000  
1 1 1 30 4  6  f 16.46000 2.304000  0.7633000      4.608000  
1 1 1 30 4  8  o 47.35000 1.033000  2.776000       2.065000  
1 1 1 30 4  10 o 8.419000 2.320000  -3.241000      4.639000  
1 1 1 30 4  12 o 47.12000 0.9512000 2.449000       1.902000  
1 1 1 30 4  14 o 16.29000 1.363000  -0.4584000     2.727000  
1 1 1 30 4  16 o 30.65000 0.9362000 0.3819000      1.872000  
1 1 1 30 4  18 o 39.79000 0.9506000 -0.3521000     1.901000  
1 1 1 30 4  20 o 18.35000 1.230000  -0.8360000     2.460000  
1 1 1 30 4  22 o 10.52000 1.962000  1.283000       3.924000  
1 1 1 30 4  24 o 20.70000 1.161000  0.6773000      2.323000  
1 1 1 30 4  26 o 13.69000 1.959000  0.1988000      3.918000  
1 1 1 30 4  28 o 14.66000 3.053000  -9.669000      6.105000  
1 1 1 30 5  1  o 34.50000 1.276000  -0.6526000     2.552000  
1 1 1 30 5  3  o 54.20000 1.075000  2.676000       2.149000  
1 1 1 30 5  5  o 18.75000 2.101000  -0.2016000     4.202000  
1 1 1 30 5  7  o 18.76000 1.822000  1.541000       3.644000  
1 1 1 30 5  9  o 64.39000 1.119000  0.2811000      2.238000  
1 1 1 30 5  11 o 47.37000 0.9633000 0.6095000      1.927000  
1 1 1 30 5  13 o 41.91000 0.9055000 1.376000       1.811000  
1 1 1 30 5  15 o 38.90000 0.8934000 -3.335000      1.787000  
1 1 1 30 5  17 o 15.36000 1.547000  1.621000       3.093000  
1 1 1 30 5  19 o 29.97000 1.140000  -0.9909000     2.280000  
1 1 1 30 5  21 o 22.23000 1.045000  -1.577000      2.090000  
1 1 1 30 5  23 o 39.76000 0.8849000 -0.2695000     1.770000  
1 1 1 30 5  25 o 22.91000 1.129000  0.7479000      2.259000  
1 1 1 30 5  27 f 19.90000 2.804000  -15.36000      5.609000  
1 1 1 30 6  0  o 30.23000 1.909000  0.000000       0.000000  
1 1 1 30 6  2  o 16.30000 2.136000  2.572000       4.272000  
1 1 1 30 6  4  o 25.73000 1.518000  1.783000       3.036000  
1 1 1 30 6  6  o 6.593000 2.170000  -2.165000      4.341000  
1 1 1 30 6  8  o 34.91000 1.118000  0.7424000      2.236000  
1 1 1 30 6  10 o 53.12000 1.038000  0.5762000      2.075000  
1 1 1 30 6  12 o 44.30000 0.9065000 -0.3943000     1.813000  
1 1 1 30 6  14 o 8.103000 2.093000  -1.622000      4.186000  
1 1 1 30 6  16 o 19.03000 1.254000  -1.559000      2.507000  
1 1 1 30 6  18 o 46.59000 0.9155000 -0.4225000     1.831000  
1 1 1 30 6  20 o 43.20000 1.027000  0.8938000E-01  2.055000  
1 1 1 30 6  22 o 17.47000 1.495000  1.685000       2.990000  
1 1 1 30 6  24 o 16.61000 1.819000  -1.809000      3.639000  
1 1 1 30 6  26 o 9.070000 2.358000  -4.143000      4.715000  
1 1 1 30 6  28 o 11.98000 4.481000  ?              ?         
1 1 1 30 7  1  o 41.88000 1.537000  -1.891000      3.074000  
1 1 1 30 7  3  o 12.16000 2.477000  2.931000       4.954000  
1 1 1 30 7  5  o 10.95000 2.549000  -0.8642000     5.098000  
1 1 1 30 7  7  o 7.169000 2.150000  -2.920000      4.300000  
1 1 1 30 7  9  o 33.64000 1.122000  2.805000       2.245000  
1 1 1 30 7  11 o 6.805000 2.019000  -2.175000      4.037000  
1 1 1 30 7  13 f 26.33000 0.9999000 0.3418000      2.000000  
1 1 1 30 7  15 o 39.03000 0.8532000 -0.1917000     1.706000  
1 1 1 30 7  17 o 7.342000 2.014000  -1.436000      4.028000  
1 1 1 30 7  19 o 19.70000 1.197000  0.1906000      2.393000  
1 1 1 30 7  21 o 6.815000 1.985000  -0.3226000     3.969000  
1 1 1 30 7  23 o 48.75000 1.027000  1.027000       2.054000  
1 1 1 30 7  25 o 16.37000 1.824000  1.813000       3.647000  
1 1 1 30 8  0  o 22.84000 2.699000  0.000000       0.000000  
1 1 1 30 8  2  o 31.02000 1.260000  -0.5384000     2.520000  
1 1 1 30 8  4  o 34.20000 1.204000  -0.7513000     2.408000  
1 1 1 30 8  6  o 34.21000 1.314000  1.396000       2.627000  
1 1 1 30 8  8  o 73.30000 1.204000  1.641000       2.408000  
1 1 1 30 8  10 o 33.21000 0.9878000 0.4172000      1.976000  
1 1 1 30 8  12 o 10.68000 1.995000  -0.6810000     3.991000  
1 1 1 30 8  14 o 42.08000 0.8849000 0.9502000      1.770000  
1 1 1 30 8  16 o 40.91000 0.9015000 0.6813000      1.803000  
1 1 1 30 8  18 o 27.44000 0.9867000 -0.8035000     1.973000  
1 1 1 30 8  20 o 20.76000 1.120000  -1.035000      2.240000  
1 1 1 30 8  22 o 23.16000 1.088000  1.658000       2.177000  
1 1 1 30 8  24 o 12.60000 1.863000  -1.196000      3.726000  
1 1 1 30 8  26 o 25.24000 1.406000  2.859000       2.813000  
1 1 1 30 9  1  o 43.12000 1.138000  -2.049000      2.277000  
1 1 1 30 9  3  o 30.90000 1.165000  -1.477000      2.331000  
1 1 1 30 9  5  o 25.40000 1.415000  0.4049000      2.830000  
1 1 1 30 9  7  o 42.08000 1.014000  3.291000       2.027000  
1 1 1 30 9  9  o 54.30000 0.9666000 -0.8094000     1.933000  
1 1 1 30 9  11 o 52.88000 0.9525000 -1.227000      1.905000  
1 1 1 30 9  13 o 20.47000 1.276000  0.6509000      2.551000  
1 1 1 30 9  15 o 35.50000 0.9427000 1.315000       1.885000  
1 1 1 30 9  17 f 11.85000 1.886000  -0.4009000     3.772000  
1 1 1 30 9  19 o 28.41000 1.022000  -0.1514000     2.044000  
1 1 1 30 9  21 o 21.06000 1.180000  -0.9927000     2.359000  
1 1 1 30 9  23 o 6.191000 1.896000  -1.539000      3.793000  
1 1 1 30 9  25 o 14.11000 2.202000  -7.971000      4.403000  
1 1 1 30 9  27 o 6.687000 3.053000  ?              ?         
1 1 1 30 10 0  o 13.06000 3.730000  0.000000       0.000000  
1 1 1 30 10 2  o 31.46000 1.400000  -0.2502000     2.800000  
1 1 1 30 10 4  o 35.76000 1.094000  0.4923000      2.188000  
1 1 1 30 10 6  f 7.163000 2.225000  -0.7214000     4.451000  
1 1 1 30 10 8  o 55.47000 0.9667000 -0.3742000     1.933000  
1 1 1 30 10 10 o 44.17000 0.9249000 -0.8015000     1.850000  
1 1 1 30 10 12 o 11.11000 2.014000  0.4810000      4.027000  
1 1 1 30 10 14 o 10.18000 1.974000  -0.6442000E-01 3.948000  
1 1 1 30 10 16 o 12.85000 1.875000  0.5400000      3.749000  
1 1 1 30 10 18 o 15.24000 1.525000  1.035000       3.050000  
1 1 1 30 10 20 o 55.38000 0.9967000 0.3685000      1.993000  
1 1 1 30 10 22 o 22.68000 1.180000  0.4591000      2.359000  
1 1 1 30 10 24 o 17.69000 1.501000  0.3639000      3.002000  
1 1 1 30 10 26 o 35.06000 2.828000  ?              ?         
1 1 1 30 11 1  o 22.08000 1.590000  -2.548000      3.179000  
1 1 1 30 11 3  o 28.91000 1.474000  -0.7017000     2.948000  
1 1 1 30 11 5  o 15.76000 1.775000  0.5115000      3.549000  
1 1 1 30 11 7  o 29.50000 1.248000  1.012000       2.495000  
1 1 1 30 11 9  f 40.01000 0.9117000 2.291000       1.823000  
1 1 1 30 11 11 o 31.63000 0.9797000 1.925000       1.959000  
1 1 1 30 11 13 o 20.53000 1.243000  -0.5667000     2.485000  
1 1 1 30 11 15 o 31.00000 0.9769000 -0.9319000     1.954000  
1 1 1 30 11 17 o 20.58000 1.223000  -2.056000      2.445000  
1 1 1 30 11 19 o 9.709000 2.078000  -2.359000      4.155000  
1 1 1 30 11 21 o 24.44000 1.147000  -1.689000      2.293000  
1 1 1 30 11 23 o 13.94000 1.814000  -2.653000      3.628000  
1 1 1 30 11 25 o 12.07000 3.174000  -0.6115000     6.349000  
1 1 1 30 12 0  o 19.71000 1.992000  0.000000       0.000000  
1 1 1 30 12 2  o 14.74000 2.067000  0.4504000      4.135000  
1 1 1 30 12 4  o 34.95000 0.9679000 0.9602000E-02  1.936000  
1 1 1 30 12 6  o 12.82000 1.990000  -0.4751000     3.980000  
1 1 1 30 12 8  o 27.52000 1.017000  -0.9634000E-01 2.033000  
1 1 1 30 12 10 o 7.767000 2.043000  1.009000       4.087000  
1 1 1 30 12 12 o 34.76000 0.9384000 0.4544000      1.877000  
1 1 1 30 12 14 o 29.49000 0.9974000 0.6894000      1.995000  
1 1 1 30 12 16 o 25.45000 1.072000  0.7247000      2.144000  
1 1 1 30 12 18 o 34.38000 0.9371000 -0.1921000     1.874000  
1 1 1 30 12 20 o 31.85000 0.9882000 -2.806000      1.976000  
1 1 1 30 12 22 o 16.13000 1.559000  -4.970000      3.118000  
1 1 1 30 12 24 o 30.09000 1.454000  -1.186000      2.908000  
1 1 1 30 13 1  o 41.43000 0.9411000 0.2351000      1.882000  
1 1 1 30 13 3  o 36.75000 1.014000  0.7257000      2.028000  
1 1 1 30 13 5  o 11.83000 2.070000  3.875000       4.140000  
1 1 1 30 13 7  o 14.54000 1.683000  1.289000       3.367000  
1 1 1 30 13 9  o 27.69000 1.061000  0.8065000      2.123000  
1 1 1 30 13 11 o 13.41000 1.780000  -1.519000      3.561000  
1 1 1 30 13 13 o 34.88000 0.9014000 -3.327000      1.803000  
1 1 1 30 13 15 o 27.09000 1.061000  -0.4644000     2.122000  
1 1 1 30 13 17 o 10.53000 2.035000  -0.6944000     4.070000  
1 1 1 30 13 19 o 7.019000 2.034000  -3.813000      4.069000  
1 1 1 30 13 21 o 20.61000 1.378000  -0.5024000     2.755000  
1 1 1 30 13 23 o 18.74000 2.123000  -7.443000      4.247000  
1 1 1 30 13 25 o 7.478000 3.599000  ?              ?         
1 1 1 30 14 0  o 50.84000 1.302000  0.000000       0.000000  
1 1 1 30 14 2  o 21.99000 1.388000  0.9405000      2.777000  
1 1 1 30 14 4  o 32.81000 1.176000  -1.416000      2.352000  
1 1 1 30 14 6  o 14.44000 1.912000  1.664000       3.824000  
1 1 1 30 14 8  f 8.534000 2.190000  -1.384000      4.381000  
1 1 1 30 14 10 o 19.74000 1.263000  2.186000       2.527000  
1 1 1 30 14 12 o 18.43000 1.316000  1.202000       2.632000  
1 1 1 30 14 14 o 24.67000 1.094000  -1.301000      2.187000  
1 1 1 30 14 16 o 21.81000 1.183000  -1.213000      2.365000  
1 1 1 30 14 18 o 13.97000 1.714000  1.565000       3.428000  
1 1 1 30 14 20 o 28.99000 1.115000  0.9143000      2.229000  
1 1 1 30 14 22 o 36.89000 1.377000  3.764000       2.754000  
1 1 1 30 14 24 o 9.521000 4.271000  ?              ?         
1 1 1 30 15 1  o 30.86000 0.9948000 -0.8966000E-01 1.990000  
1 1 1 30 15 3  o 14.41000 2.119000  1.401000       4.237000  
1 1 1 30 15 5  o 11.32000 2.537000  2.033000       5.073000  
1 1 1 30 15 7  o 23.04000 1.260000  -0.3329000E-01 2.520000  
1 1 1 30 15 9  o 7.254000 2.188000  1.987000       4.377000  
1 1 1 30 15 11 o 28.63000 1.099000  0.3977000      2.198000  
1 1 1 30 15 13 o 17.86000 1.328000  -0.1598000     2.656000  
1 1 1 30 15 15 o 7.769000 2.114000  -0.5242000E-01 4.228000  
1 1 1 30 15 17 o 11.06000 2.044000  -0.2202000     4.088000  
1 1 1 30 15 19 f 11.65000 2.059000  1.304000       4.117000  
1 1 1 30 15 21 o 18.61000 1.806000  2.004000       3.613000  
1 1 1 30 15 23 o 27.36000 3.033000  ?              ?         
1 1 1 30 16 0  o 9.173000 3.234000  0.000000       0.000000  
1 1 1 30 16 2  o 20.76000 1.325000  1.496000       2.649000  
1 1 1 30 16 4  o 23.12000 1.361000  -1.116000      2.721000  
1 1 1 30 16 6  o 29.20000 1.012000  -1.126000      2.024000  
1 1 1 30 16 8  o 12.95000 2.050000  -5.336000      4.100000  
1 1 1 30 16 10 o 15.68000 1.659000  0.6160000      3.319000  
1 1 1 30 16 12 o 12.07000 2.021000  -2.652000      4.042000  
1 1 1 30 16 14 o 9.398000 2.189000  -1.092000      4.378000  
1 1 1 30 16 16 o 31.92000 0.9781000 -2.157000      1.956000  
1 1 1 30 16 18 o 22.95000 1.198000  -2.168000      2.397000  
1 1 1 30 16 20 o 8.615000 2.308000  -1.377000      4.616000  
1 1 1 30 16 22 o 36.63000 2.223000  ?              ?         
1 1 1 30 17 1  o 21.17000 1.372000  -0.6946000E-01 2.743000  
1 1 1 30 17 3  o 9.830000 2.231000  0.7966000      4.462000  
1 1 1 30 17 5  o 9.064000 2.339000  1.313000       4.679000  
1 1 1 30 17 7  o 22.88000 1.267000  2.123000       2.534000  
1 1 1 30 17 9  o 20.34000 1.353000  -0.4480000     2.706000  
1 1 1 30 17 11 o 30.55000 1.048000  -0.6857000     2.095000  
1 1 1 30 17 13 f 27.46000 1.054000  -0.5868000     2.108000  
1 1 1 30 17 15 o 29.62000 1.018000  -0.6393000     2.035000  
1 1 1 30 17 17 o 26.05000 1.172000  -0.9112000     2.343000  
1 1 1 30 17 19 o 13.62000 2.146000  -3.211000      4.291000  
1 1 1 30 17 21 o 28.52000 2.630000  -8.877000      5.261000  
1 1 1 30 18 0  o 25.87000 1.641000  0.000000       0.000000  
1 1 1 30 18 2  f 13.37000 2.013000  -0.5121000     4.025000  
1 1 1 30 18 4  f 17.10000 1.869000  -0.4016000     3.738000  
1 1 1 30 18 6  o 29.20000 1.301000  -1.933000      2.601000  
1 1 1 30 18 8  o 26.90000 1.125000  -0.1359000     2.249000  
1 1 1 30 18 10 o 42.98000 1.259000  -0.7884000E-01 2.517000  
1 1 1 30 18 12 o 28.60000 1.072000  -2.035000      2.144000  
1 1 1 30 18 14 o 13.15000 2.034000  -1.686000      4.068000  
1 1 1 30 18 16 o 20.34000 1.355000  0.9893000      2.711000  
1 1 1 30 18 18 o 18.74000 1.562000  -3.463000      3.123000  
1 1 1 30 18 20 o 12.21000 3.539000  -3.911000      7.079000  
1 1 1 30 19 1  o 18.43000 1.467000  0.7177000      2.933000  
1 1 1 30 19 3  o 8.000000 2.144000  -3.173000      4.289000  
1 1 1 30 19 5  o 37.99000 1.025000  -1.345000      2.051000  
1 1 1 30 19 7  o 40.51000 1.314000  0.6886000      2.628000  
1 1 1 30 19 9  o 47.36000 1.029000  1.148000       2.058000  
1 1 1 30 19 11 o 49.23000 1.032000  -1.284000      2.064000  
1 1 1 30 19 13 o 20.18000 1.379000  -1.442000      2.758000  
1 1 1 30 19 15 o 13.09000 2.089000  -1.446000      4.178000  
1 1 1 30 19 17 o 9.749000 2.741000  -2.448000      5.481000  
1 1 1 30 19 19 o 14.90000 3.784000  -4.730000      7.569000  
1 1 1 30 20 0  o 54.60000 1.472000  0.000000       0.000000  
1 1 1 30 20 2  o 30.61000 1.122000  -1.352000      2.244000  
1 1 1 30 20 4  o 12.20000 2.221000  -3.656000      4.441000  
1 1 1 30 20 6  o 13.81000 2.066000  0.4549000      4.133000  
1 1 1 30 20 8  o 9.102000 2.442000  1.109000       4.884000  
1 1 1 30 20 10 o 18.14000 1.668000  -1.082000      3.336000  
1 1 1 30 20 12 o 13.54000 2.151000  -0.6555000     4.302000  
1 1 1 30 20 14 o 21.51000 1.390000  -0.5623000     2.781000  
1 1 1 30 20 16 o 12.96000 2.745000  -4.474000      5.491000  
1 1 1 30 20 18 o 16.88000 4.231000  -7.590000      8.461000  
1 1 1 30 21 1  o 23.01000 1.364000  -0.8423000     2.727000  
1 1 1 30 21 3  o 19.55000 1.523000  0.1134000      3.046000  
1 1 1 30 21 5  o 17.17000 1.690000  0.3664000      3.380000  
1 1 1 30 21 7  o 11.05000 2.471000  2.630000       4.942000  
1 1 1 30 21 9  o 23.51000 1.544000  -0.7412000     3.089000  
1 1 1 30 21 11 o 9.100000 2.373000  -0.7156000     4.747000  
1 1 1 30 21 13 o 7.295000 2.210000  -0.9756000     4.420000  
1 1 1 30 21 15 o 30.82000 1.926000  -3.639000      3.852000  
1 1 1 30 21 17 o 30.54000 2.926000  -12.65000      5.852000  
1 1 1 30 22 0  o 32.17000 1.623000  0.000000       0.000000  
1 1 1 30 22 2  o 8.917000 2.382000  -0.8542000     4.764000  
1 1 1 30 22 4  o 32.23000 1.157000  -2.373000      2.315000  
1 1 1 30 22 6  o 17.69000 1.795000  -2.756000      3.590000  
1 1 1 30 22 8  o 14.69000 2.426000  -0.2484000E-01 4.852000  
1 1 1 30 22 10 o 26.02000 1.591000  -3.700000      3.182000  
1 1 1 30 22 12 o 26.03000 2.503000  8.044000       5.007000  
1 1 1 30 22 14 o 40.97000 1.646000  -5.607000      3.291000  
1 1 1 30 23 1  o 9.072000 2.438000  0.4130000      4.876000  
1 1 1 30 23 3  o 17.24000 1.941000  2.240000       3.881000  
1 1 1 30 23 5  o 7.272000 2.192000  2.366000       4.384000  
1 1 1 30 23 7  o 12.97000 2.291000  -3.442000      4.582000  
1 1 1 30 23 9  o 9.984000 2.944000  1.886000       5.888000  
1 1 1 30 23 11 o 15.33000 2.683000  -11.00000      5.365000  
1 1 1 30 23 13 o 35.34000 2.055000  -2.064000      4.110000  
1 1 1 30 23 15 o 14.91000 5.398000  ?              ?         
1 1 1 30 24 0  o 11.01000 3.423000  0.000000       0.000000  
1 1 1 30 24 2  o 11.66000 3.054000  0.6957000      6.107000  
1 1 1 30 24 4  o 10.24000 2.811000  -5.999000      5.621000  
1 1 1 30 24 6  o 12.08000 3.030000  1.107000       6.060000  
1 1 1 30 24 8  o 13.76000 2.977000  -5.599000      5.954000  
1 1 1 30 24 10 o 15.87000 4.208000  -5.624000      8.417000  
1 1 1 30 24 12 f 9.269000 2.961000  -4.064000      5.922000  
1 1 1 30 25 1  o 26.80000 3.156000  7.047000       6.312000  
1 1 1 30 25 3  o 10.56000 3.087000  -0.9805000     6.173000  
1 1 1 30 25 5  o 28.02000 1.994000  -5.286000      3.988000  
1 1 1 30 25 7  o 33.11000 2.033000  -2.397000      4.066000  
1 1 1 30 25 9  o 15.90000 3.442000  -1.949000      6.885000  
1 1 1 30 26 0  o 19.88000 3.755000  0.000000       0.000000  
1 1 1 30 26 2  o 12.63000 3.711000  3.698000       7.423000  
1 1 1 30 26 4  o 13.46000 3.059000  5.959000       6.117000  
1 1 1 30 26 6  o 11.67000 3.020000  -2.558000      6.040000  
1 1 1 31 0  1  o 19.99000 1.874000  0.000000       0.000000  
1 1 1 31 0  3  o 27.16000 1.430000  0.000000       0.000000  
1 1 1 31 0  5  o 7.187000 2.984000  0.000000       0.000000  
1 1 1 31 0  7  o 25.52000 1.706000  0.000000       0.000000  
1 1 1 31 0  9  o 17.87000 2.239000  0.000000       0.000000  
1 1 1 31 0  11 o 24.56000 1.335000  0.000000       0.000000  
1 1 1 31 0  13 o 12.58000 2.912000  0.000000       0.000000  
1 1 1 31 0  15 o 45.44000 1.417000  0.000000       0.000000  
1 1 1 31 0  17 o 36.35000 1.450000  0.000000       0.000000  
1 1 1 31 0  19 o 29.78000 1.314000  0.000000       0.000000  
1 1 1 31 0  21 o 14.07000 2.406000  0.000000       0.000000  
1 1 1 31 0  23 o 9.232000 2.838000  0.000000       0.000000  
1 1 1 31 0  25 o 23.21000 2.872000  0.000000       0.000000  
1 1 1 31 1  0  o 45.35000 1.309000  0.000000       0.000000  
1 1 1 31 1  2  o 30.61000 1.014000  -1.897000      2.028000  
1 1 1 31 1  4  o 22.89000 1.168000  -0.9891000     2.336000  
1 1 1 31 1  6  o 30.38000 1.018000  0.6266000      2.036000  
1 1 1 31 1  8  o 12.69000 2.125000  0.4707000      4.250000  
1 1 1 31 1  10 o 16.45000 1.483000  0.6043000E-01  2.966000  
1 1 1 31 1  12 o 15.70000 1.590000  0.6212000      3.181000  
1 1 1 31 1  14 o 35.99000 0.9957000 -1.374000      1.991000  
1 1 1 31 1  16 o 12.02000 1.931000  -1.473000      3.863000  
1 1 1 31 1  18 o 14.93000 1.667000  0.7465000      3.334000  
1 1 1 31 1  20 o 7.770000 2.071000  -1.534000      4.142000  
1 1 1 31 1  22 o 9.273000 2.149000  -1.377000      4.298000  
1 1 1 31 1  24 o 16.75000 1.629000  0.3801000      3.259000  
1 1 1 31 1  26 o 15.25000 3.901000  -4.293000      7.801000  
1 1 1 31 2  1  o 15.64000 1.954000  -0.3543000     3.909000  
1 1 1 31 2  3  o 8.022000 2.203000  -2.916000      4.406000  
1 1 1 31 2  5  o 9.787000 2.272000  -0.2666000     4.545000  
1 1 1 31 2  7  o 37.81000 0.9242000 0.4031000      1.848000  
1 1 1 31 2  9  o 30.61000 0.9436000 -0.2266000     1.887000  
1 1 1 31 2  11 o 42.16000 0.9987000 1.304000       1.997000  
1 1 1 31 2  13 o 39.48000 0.9924000 0.3137000      1.985000  
1 1 1 31 2  15 o 28.76000 0.9955000 -2.209000      1.991000  
1 1 1 31 2  17 o 7.600000 2.005000  1.237000       4.011000  
1 1 1 31 2  19 o 19.17000 1.338000  0.1591000      2.677000  
1 1 1 31 2  21 o 31.17000 1.049000  -2.151000      2.099000  
1 1 1 31 2  23 o 32.11000 1.008000  0.5589000      2.016000  
1 1 1 31 2  25 o 25.04000 1.724000  -0.3879000     3.447000  
1 1 1 31 3  0  o 37.98000 1.432000  0.000000       0.000000  
1 1 1 31 3  2  o 25.64000 1.087000  -1.411000      2.175000  
1 1 1 31 3  4  o 14.01000 1.755000  1.137000       3.510000  
1 1 1 31 3  6  o 20.14000 1.253000  -0.7833000E-01 2.506000  
1 1 1 31 3  8  o 8.188000 2.119000  -1.717000      4.238000  
1 1 1 31 3  10 o 38.70000 1.045000  1.668000       2.090000  
1 1 1 31 3  12 o 31.98000 1.032000  0.1307000E-01  2.064000  
1 1 1 31 3  14 o 8.091000 2.005000  -1.389000      4.010000  
1 1 1 31 3  16 o 25.38000 1.156000  -2.418000      2.312000  
1 1 1 31 3  18 o 15.70000 1.627000  1.747000       3.254000  
1 1 1 31 3  20 o 7.371000 2.106000  0.6286000      4.212000  
1 1 1 31 3  22 o 11.62000 2.087000  -2.505000      4.173000  
1 1 1 31 3  24 o 26.21000 2.176000  7.869000       4.352000  
1 1 1 31 3  26 o 14.80000 3.595000  -6.521000      7.190000  
1 1 1 31 4  1  o 27.91000 1.029000  -1.228000      2.057000  
1 1 1 31 4  3  o 15.49000 1.692000  0.3245000      3.385000  
1 1 1 31 4  5  o 23.35000 1.117000  -1.887000      2.233000  
1 1 1 31 4  7  o 42.38000 0.9540000 -0.5784000     1.908000  
1 1 1 31 4  9  o 8.448000 2.187000  -1.953000      4.374000  
1 1 1 31 4  11 o 27.73000 1.093000  0.7721000      2.186000  
1 1 1 31 4  13 o 13.54000 1.744000  0.2597000      3.488000  
1 1 1 31 4  15 o 46.06000 1.034000  -1.149000      2.067000  
1 1 1 31 4  17 o 14.75000 1.491000  -0.5330000     2.982000  
1 1 1 31 4  19 o 21.36000 1.139000  -0.2514000     2.278000  
1 1 1 31 4  21 o 36.50000 1.034000  0.8029000      2.068000  
1 1 1 31 4  23 o 16.27000 1.858000  -1.178000      3.717000  
1 1 1 31 5  0  o 43.47000 1.267000  0.000000       0.000000  
1 1 1 31 5  2  o 26.87000 1.077000  -1.908000      2.153000  
1 1 1 31 5  4  o 7.941000 2.284000  2.381000       4.568000  
1 1 1 31 5  6  o 12.88000 2.014000  -0.5712000     4.027000  
1 1 1 31 5  8  o 53.05000 0.9257000 -0.2531000     1.851000  
1 1 1 31 5  10 o 37.34000 0.9604000 -1.936000      1.921000  
1 1 1 31 5  12 f 42.33000 1.007000  -1.152000      2.014000  
1 1 1 31 5  14 o 23.75000 1.089000  -1.122000      2.179000  
1 1 1 31 5  16 o 19.36000 1.159000  0.3031000      2.318000  
1 1 1 31 5  18 o 6.852000 1.976000  -2.276000      3.953000  
1 1 1 31 5  20 o 27.70000 0.9646000 -0.5278000     1.929000  
1 1 1 31 5  22 o 18.35000 1.314000  -1.005000      2.629000  
1 1 1 31 5  24 o 19.43000 1.858000  -3.118000      3.716000  
1 1 1 31 6  1  o 24.94000 1.136000  -0.6337000     2.271000  
1 1 1 31 6  3  o 6.102000 1.908000  -1.818000      3.816000  
1 1 1 31 6  5  o 18.73000 1.364000  -0.4741000E-01 2.728000  
1 1 1 31 6  7  o 19.57000 1.211000  -1.822000      2.422000  
1 1 1 31 6  9  o 13.38000 1.884000  -0.4228000     3.769000  
1 1 1 31 6  11 o 7.918000 2.138000  -1.236000      4.277000  
1 1 1 31 6  13 o 18.41000 1.325000  -0.5886000     2.649000  
1 1 1 31 6  15 o 20.49000 1.203000  0.3316000      2.406000  
1 1 1 31 6  17 o 23.50000 1.114000  1.242000       2.229000  
1 1 1 31 6  19 o 25.28000 0.9829000 1.805000       1.966000  
1 1 1 31 6  21 o 23.60000 1.134000  -0.8684000     2.269000  
1 1 1 31 6  23 o 41.62000 0.9886000 -0.5862000     1.977000  
1 1 1 31 6  25 o 13.36000 3.255000  -13.72000      6.509000  
1 1 1 31 7  0  o 10.59000 2.534000  0.000000       0.000000  
1 1 1 31 7  2  o 21.31000 1.297000  -0.4181000     2.594000  
1 1 1 31 7  4  o 14.65000 1.805000  -0.1825000     3.609000  
1 1 1 31 7  6  o 49.13000 0.9549000 0.1390000E-01  1.910000  
1 1 1 31 7  8  o 28.89000 0.9693000 1.666000       1.939000  
1 1 1 31 7  10 o 27.78000 1.084000  -0.7919000     2.169000  
1 1 1 31 7  12 o 7.497000 1.961000  0.1110000      3.922000  
1 1 1 31 7  14 o 18.15000 1.326000  0.9914000E-01  2.653000  
1 1 1 31 7  16 o 29.74000 0.9262000 0.2661000      1.852000  
1 1 1 31 7  18 o 27.93000 1.022000  1.391000       2.044000  
1 1 1 31 7  20 o 15.17000 1.634000  -0.4629000     3.268000  
1 1 1 31 7  22 o 7.873000 2.184000  -0.1490000     4.369000  
1 1 1 31 7  24 o 23.22000 2.240000  -3.898000      4.480000  
1 1 1 31 8  1  o 10.99000 2.073000  0.9840000E-01  4.147000  
1 1 1 31 8  3  o 35.26000 0.9458000 -1.547000      1.892000  
1 1 1 31 8  5  o 27.96000 1.266000  -1.598000      2.532000  
1 1 1 31 8  7  o 22.15000 1.157000  -2.916000      2.314000  
1 1 1 31 8  9  o 27.23000 1.058000  1.628000       2.117000  
1 1 1 31 8  11 o 9.216000 2.151000  -0.8977000     4.302000  
1 1 1 31 8  13 o 34.26000 0.9516000 1.715000       1.903000  
1 1 1 31 8  15 o 45.76000 0.8884000 0.8758000      1.777000  
1 1 1 31 8  17 o 23.32000 1.136000  0.1827000      2.273000  
1 1 1 31 8  19 o 24.28000 1.086000  1.955000       2.171000  
1 1 1 31 8  21 o 15.49000 1.529000  -2.363000      3.057000  
1 1 1 31 8  23 o 38.34000 1.451000  0.5209000      2.901000  
1 1 1 31 9  0  o 39.49000 1.281000  0.000000       0.000000  
1 1 1 31 9  2  o 7.171000 2.029000  -0.2330000     4.059000  
1 1 1 31 9  4  o 41.64000 1.066000  -2.090000      2.132000  
1 1 1 31 9  6  o 32.09000 1.152000  -1.823000      2.304000  
1 1 1 31 9  8  o 42.95000 0.8854000 0.3760000      1.771000  
1 1 1 31 9  10 o 48.59000 0.9980000 2.176000       1.996000  
1 1 1 31 9  12 o 46.80000 0.9381000 -2.314000      1.876000  
1 1 1 31 9  14 o 37.68000 0.8921000 -1.096000      1.784000  
1 1 1 31 9  16 o 9.885000 2.122000  -0.4404000     4.245000  
1 1 1 31 9  18 o 19.14000 1.204000  -1.387000      2.408000  
1 1 1 31 9  20 o 46.90000 0.9409000 -2.665000      1.882000  
1 1 1 31 9  22 o 45.90000 1.479000  3.701000       2.958000  
1 1 1 31 9  24 o 13.24000 3.149000  -4.993000      6.299000  
1 1 1 31 10 1  o 34.64000 0.8905000 0.7527000      1.781000  
1 1 1 31 10 3  o 14.23000 2.007000  -1.534000      4.014000  
1 1 1 31 10 5  o 36.70000 1.030000  -0.1429000     2.060000  
1 1 1 31 10 7  o 42.64000 0.9448000 3.262000       1.890000  
1 1 1 31 10 9  o 28.62000 1.089000  0.3232000      2.178000  
1 1 1 31 10 11 o 23.14000 1.180000  -0.4736000     2.360000  
1 1 1 31 10 13 f 32.78000 1.142000  0.2198000      2.284000  
1 1 1 31 10 15 f 16.59000 1.548000  -0.3123000     3.096000  
1 1 1 31 10 17 f 41.25000 0.9274000 0.9316000      1.855000  
1 1 1 31 10 19 o 46.50000 0.9572000 1.562000       1.914000  
1 1 1 31 10 21 o 11.18000 2.134000  1.313000       4.268000  
1 1 1 31 10 23 o 9.427000 3.613000  ?              ?         
1 1 1 31 11 0  o 46.39000 1.262000  0.000000       0.000000  
1 1 1 31 11 2  o 42.28000 0.8825000 -0.2250000     1.765000  
1 1 1 31 11 4  o 22.01000 1.238000  1.279000       2.476000  
1 1 1 31 11 6  o 28.55000 1.193000  -0.4162000     2.386000  
1 1 1 31 11 8  o 21.33000 1.323000  1.222000       2.646000  
1 1 1 31 11 10 o 20.89000 1.265000  -2.043000      2.530000  
1 1 1 31 11 12 o 45.85000 0.9112000 1.999000       1.822000  
1 1 1 31 11 14 o 34.19000 0.9444000 -1.583000      1.889000  
1 1 1 31 11 16 o 13.93000 1.869000  -0.8247000     3.738000  
1 1 1 31 11 18 o 14.71000 1.595000  -2.815000      3.191000  
1 1 1 31 11 20 o 19.92000 1.385000  -2.179000      2.769000  
1 1 1 31 11 22 o 20.56000 2.926000  1.933000       5.853000  
1 1 1 31 12 1  f 24.63000 1.110000  0.3605000      2.221000  
1 1 1 31 12 3  o 10.53000 2.114000  0.3789000      4.227000  
1 1 1 31 12 5  o 8.529000 2.232000  -0.1444000     4.464000  
1 1 1 31 12 7  o 18.55000 3.126000  2.359000       6.252000  
1 1 1 31 12 9  o 33.68000 0.9625000 1.767000       1.925000  
1 1 1 31 12 11 o 7.531000 2.160000  -1.321000      4.319000  
1 1 1 31 12 13 o 34.22000 0.9360000 -1.490000      1.872000  
1 1 1 31 12 15 o 7.537000 2.093000  -3.285000      4.185000  
1 1 1 31 12 17 f 26.84000 1.042000  -2.415000      2.084000  
1 1 1 31 12 19 o 10.32000 2.134000  1.683000       4.268000  
1 1 1 31 12 21 o 18.63000 2.141000  -8.350000      4.282000  
1 1 1 31 12 23 o 10.81000 4.385000  ?              ?         
1 1 1 31 13 0  o 7.057000 2.918000  0.000000       0.000000  
1 1 1 31 13 2  o 15.26000 1.688000  -2.390000      3.375000  
1 1 1 31 13 4  o 24.49000 1.085000  -0.1192000     2.171000  
1 1 1 31 13 6  o 17.83000 1.657000  2.220000       3.313000  
1 1 1 31 13 8  f 13.94000 2.156000  0.1717000      4.311000  
1 1 1 31 13 10 f 22.26000 1.147000  -0.1378000     2.294000  
1 1 1 31 13 12 o 20.23000 1.271000  0.3173000      2.543000  
1 1 1 31 13 14 o 17.56000 1.627000  -1.651000      3.254000  
1 1 1 31 13 16 o 19.04000 1.443000  -0.5284000     2.885000  
1 1 1 31 13 18 o 10.33000 2.164000  -4.537000      4.329000  
1 1 1 31 13 20 o 12.74000 2.737000  -5.606000      5.475000  
1 1 1 31 13 22 o 8.202000 3.724000  ?              ?         
1 1 1 31 14 1  o 15.47000 1.736000  -0.2373000     3.472000  
1 1 1 31 14 3  o 30.47000 1.019000  -1.010000      2.038000  
1 1 1 31 14 5  o 28.35000 1.202000  -0.3586000     2.404000  
1 1 1 31 14 7  o 22.93000 1.353000  0.9958000      2.706000  
1 1 1 31 14 9  o 7.626000 2.116000  -1.628000      4.232000  
1 1 1 31 14 11 o 33.05000 1.009000  1.751000       2.018000  
1 1 1 31 14 13 o 6.984000 2.031000  0.8942000      4.061000  
1 1 1 31 14 15 o 23.53000 1.183000  -2.187000      2.365000  
1 1 1 31 14 17 o 24.27000 1.258000  0.2071000      2.517000  
1 1 1 31 14 19 o 40.75000 1.389000  6.453000       2.778000  
1 1 1 31 14 21 o 16.11000 4.390000  ?              ?         
1 1 1 31 15 0  o 20.88000 1.755000  0.000000       0.000000  
1 1 1 31 15 2  o 36.26000 0.9260000 -0.4789000     1.852000  
1 1 1 31 15 4  o 7.610000 2.107000  0.7271000      4.214000  
1 1 1 31 15 6  o 11.77000 2.062000  -3.514000      4.125000  
1 1 1 31 15 8  o 30.63000 2.466000  -0.1188000     4.932000  
1 1 1 31 15 10 o 33.79000 0.9625000 2.116000       1.925000  
1 1 1 31 15 12 o 6.609000 2.004000  -0.5732000     4.008000  
1 1 1 31 15 14 o 11.22000 2.128000  2.187000       4.256000  
1 1 1 31 15 16 o 11.66000 2.146000  0.5591000      4.292000  
1 1 1 31 15 18 o 10.35000 2.574000  -4.322000      5.148000  
1 1 1 31 15 20 o 30.45000 2.420000  2.116000       4.840000  
1 1 1 31 16 1  o 15.08000 1.793000  -2.998000      3.586000  
1 1 1 31 16 3  o 11.06000 2.192000  -1.961000      4.383000  
1 1 1 31 16 5  o 29.12000 1.081000  -0.5130000     2.163000  
1 1 1 31 16 7  o 15.57000 1.978000  0.7540000      3.955000  
1 1 1 31 16 9  o 20.17000 1.885000  -0.1304000     3.770000  
1 1 1 31 16 11 o 21.07000 1.333000  0.7903000      2.667000  
1 1 1 31 16 13 o 17.08000 1.544000  -1.002000      3.089000  
1 1 1 31 16 15 o 7.100000 2.078000  1.053000       4.156000  
1 1 1 31 16 17 f 15.35000 2.754000  -7.223000      5.507000  
1 1 1 31 16 19 o 21.30000 3.245000  6.613000       6.490000  
1 1 1 31 17 0  o 25.87000 1.672000  0.000000       0.000000  
1 1 1 31 17 2  o 20.61000 1.403000  -1.434000      2.806000  
1 1 1 31 17 4  o 19.24000 1.377000  1.289000       2.754000  
1 1 1 31 17 6  o 34.31000 1.008000  0.1440000      2.017000  
1 1 1 31 17 8  o 17.17000 1.895000  0.8609000      3.790000  
1 1 1 31 17 10 o 7.800000 2.111000  0.6736000      4.223000  
1 1 1 31 17 12 o 15.34000 1.928000  0.9110000E-01  3.856000  
1 1 1 31 17 14 o 23.11000 1.295000  0.3091000      2.589000  
1 1 1 31 17 16 o 29.70000 1.876000  0.9958000      3.752000  
1 1 1 31 17 18 o 29.94000 2.479000  -2.582000      4.958000  
1 1 1 31 18 1  o 23.88000 1.253000  0.2607000      2.506000  
1 1 1 31 18 3  o 20.16000 1.386000  -0.8399000E-01 2.773000  
1 1 1 31 18 5  o 7.179000 2.117000  -0.3432000     4.234000  
1 1 1 31 18 7  o 35.58000 1.109000  -0.6853000     2.219000  
1 1 1 31 18 9  o 47.41000 1.129000  -0.7282000     2.258000  
1 1 1 31 18 11 o 26.94000 1.212000  0.5556000      2.425000  
1 1 1 31 18 13 o 25.73000 1.279000  0.9361000      2.559000  
1 1 1 31 18 15 o 32.90000 1.795000  0.2261000      3.590000  
1 1 1 31 18 17 o 20.18000 3.474000  7.001000       6.949000  
1 1 1 31 19 0  o 11.82000 3.110000  0.000000       0.000000  
1 1 1 31 19 2  o 18.48000 1.546000  1.489000       3.091000  
1 1 1 31 19 4  o 29.88000 1.076000  -0.1638000     2.152000  
1 1 1 31 19 6  o 12.60000 2.199000  -0.8401000     4.398000  
1 1 1 31 19 8  o 6.790000 2.089000  0.6181000E-01  4.178000  
1 1 1 31 19 10 o 16.74000 3.578000  -2.342000      7.157000  
1 1 1 31 19 12 o 15.54000 2.398000  -0.5344000     4.796000  
1 1 1 31 19 14 o 21.85000 2.852000  -6.605000      5.705000  
1 1 1 31 19 16 o 12.00000 3.445000  -1.191000      6.890000  
1 1 1 31 20 1  o 13.39000 2.050000  0.8646000      4.101000  
1 1 1 31 20 3  o 17.90000 1.665000  -0.6367000     3.330000  
1 1 1 31 20 5  o 18.04000 1.691000  3.755000       3.382000  
1 1 1 31 20 7  o 27.57000 1.250000  -0.9153000     2.500000  
1 1 1 31 20 9  f 28.30000 1.533000  -1.983000      3.066000  
1 1 1 31 20 11 o 11.29000 2.875000  -8.086000      5.750000  
1 1 1 31 20 13 o 30.88000 2.359000  -1.371000      4.718000  
1 1 1 31 20 15 o 9.111000 3.004000  -2.875000      6.009000  
1 1 1 31 21 0  o 18.30000 2.483000  0.000000       0.000000  
1 1 1 31 21 2  o 26.86000 1.277000  -0.4868000     2.554000  
1 1 1 31 21 4  o 31.58000 1.126000  1.666000       2.251000  
1 1 1 31 21 6  o 34.59000 1.330000  -1.933000      2.660000  
1 1 1 31 21 8  o 36.05000 1.365000  -0.7577000     2.730000  
1 1 1 31 21 10 o 17.29000 2.672000  -13.31000      5.343000  
1 1 1 31 21 12 o 20.00000 4.358000  ?              ?         
1 1 1 31 21 14 o 15.27000 5.066000  ?              ?         
1 1 1 31 22 1  o 8.454000 2.684000  -0.2901000     5.369000  
1 1 1 31 22 3  f 11.84000 2.752000  1.668000       5.504000  
1 1 1 31 22 5  o 7.425000 2.434000  0.6286000E-01  4.869000  
1 1 1 31 22 7  o 21.69000 2.441000  -3.546000      4.883000  
1 1 1 31 22 9  o 32.81000 2.273000  -0.8251000     4.547000  
1 1 1 31 22 11 o 11.13000 4.711000  ?              ?         
1 1 1 31 23 0  o 26.04000 3.044000  0.000000       0.000000  
1 1 1 31 23 2  o 30.10000 3.156000  7.588000       6.313000  
1 1 1 31 23 4  o 26.85000 2.029000  5.554000       4.058000  
1 1 1 31 23 6  o 15.41000 4.687000  5.314000       9.374000  
1 1 1 31 23 8  o 10.63000 3.102000  2.457000       6.205000  
1 1 1 31 24 1  o 10.46000 3.074000  1.475000       6.148000  
1 1 1 31 24 3  o 7.777000 2.593000  -1.541000      5.187000  
1 1 1 31 24 5  o 8.876000 2.689000  0.6072000E-01  5.377000  
1 1 1 32 0  0  o 52.84000 1.751000  0.000000       0.000000  
1 1 1 32 0  2  o 7.849000 2.777000  0.000000       0.000000  
1 1 1 32 0  4  o 8.210000 2.833000  0.000000       0.000000  
1 1 1 32 0  6  o 22.17000 1.424000  0.000000       0.000000  
1 1 1 32 0  8  o 33.22000 1.166000  0.000000       0.000000  
1 1 1 32 0  10 o 49.80000 1.311000  0.000000       0.000000  
1 1 1 32 0  12 o 8.552000 2.985000  0.000000       0.000000  
1 1 1 32 0  14 o 28.59000 1.570000  0.000000       0.000000  
1 1 1 32 0  16 o 9.030000 2.855000  0.000000       0.000000  
1 1 1 32 0  18 o 7.421000 2.940000  0.000000       0.000000  
1 1 1 32 0  20 f 6.867000 3.081000  0.000000       0.000000  
1 1 1 32 0  22 o 17.34000 4.058000  0.000000       0.000000  
1 1 1 32 1  1  o 37.76000 0.9118000 -1.699000      1.824000  
1 1 1 32 1  3  o 28.67000 0.8538000 -0.4694000     1.708000  
1 1 1 32 1  5  o 24.14000 0.9444000 0.3247000      1.889000  
1 1 1 32 1  7  o 32.83000 0.8131000 1.868000       1.626000  
1 1 1 32 1  9  o 18.55000 1.101000  -0.5500000     2.203000  
1 1 1 32 1  11 o 22.09000 1.190000  -1.953000      2.380000  
1 1 1 32 1  13 o 27.92000 1.058000  0.7297000      2.117000  
1 1 1 32 1  15 o 16.96000 1.481000  1.207000       2.962000  
1 1 1 32 1  17 o 19.04000 1.294000  1.967000       2.587000  
1 1 1 32 1  19 o 30.77000 1.092000  -1.673000      2.184000  
1 1 1 32 1  21 o 9.173000 2.294000  -2.537000      4.588000  
1 1 1 32 1  23 o 17.32000 3.816000  -0.8536000     7.632000  
1 1 1 32 2  0  o 8.358000 2.967000  0.000000       0.000000  
1 1 1 32 2  2  o 25.10000 1.092000  -1.340000      2.185000  
1 1 1 32 2  4  o 15.68000 1.245000  0.9364000      2.490000  
1 1 1 32 2  6  o 18.48000 1.073000  -1.346000      2.146000  
1 1 1 32 2  8  o 27.92000 0.8615000 0.4953000      1.723000  
1 1 1 32 2  10 o 6.894000 2.030000  -2.901000      4.060000  
1 1 1 32 2  12 o 29.24000 0.9990000 -0.4682000     1.998000  
1 1 1 32 2  14 o 7.223000 2.105000  -0.3264000     4.211000  
1 1 1 32 2  16 o 10.56000 2.066000  0.5369000      4.131000  
1 1 1 32 2  18 o 28.83000 1.063000  -0.4129000     2.125000  
1 1 1 32 2  20 o 12.00000 2.035000  0.1799000      4.069000  
1 1 1 32 2  22 o 18.42000 2.169000  -1.776000      4.337000  
1 1 1 32 3  1  o 28.95000 0.8995000 -1.126000      1.799000  
1 1 1 32 3  3  o 14.76000 1.432000  -2.037000      2.864000  
1 1 1 32 3  5  o 27.49000 0.8759000 -0.3927000     1.752000  
1 1 1 32 3  7  o 34.11000 0.8147000 -1.842000      1.629000  
1 1 1 32 3  9  o 13.42000 1.694000  -1.431000      3.389000  
1 1 1 32 3  11 f 19.71000 1.272000  -0.3983000     2.543000  
1 1 1 32 3  13 o 7.112000 2.025000  -0.5831000     4.050000  
1 1 1 32 3  15 o 23.13000 1.136000  0.1822000      2.273000  
1 1 1 32 3  17 o 7.124000 2.063000  0.2173000      4.126000  
1 1 1 32 3  19 o 11.49000 2.199000  0.2688000      4.398000  
1 1 1 32 3  21 o 29.64000 1.660000  2.142000       3.319000  
1 1 1 32 4  0  o 83.58000 1.629000  0.000000       0.000000  
1 1 1 32 4  2  o 43.71000 0.8247000 0.5916000      1.649000  
1 1 1 32 4  4  o 34.22000 0.8328000 0.6591000      1.666000  
1 1 1 32 4  6  o 47.34000 0.9362000 -1.335000      1.872000  
1 1 1 32 4  8  o 34.03000 0.9019000 1.072000       1.804000  
1 1 1 32 4  10 o 19.00000 1.262000  -2.783000      2.524000  
1 1 1 32 4  12 o 13.90000 1.734000  -2.457000      3.467000  
1 1 1 32 4  14 o 32.48000 0.9294000 2.484000       1.859000  
1 1 1 32 4  16 o 9.152000 2.153000  -1.122000      4.307000  
1 1 1 32 4  18 o 12.24000 2.170000  0.4361000      4.339000  
1 1 1 32 4  20 o 8.379000 2.140000  0.9995000      4.281000  
1 1 1 32 4  22 o 35.90000 2.202000  -3.123000      4.404000  
1 1 1 32 5  1  o 19.05000 1.364000  0.5067000      2.728000  
1 1 1 32 5  3  o 26.05000 0.9897000 -0.1705000     1.979000  
1 1 1 32 5  5  o 58.41000 0.9578000 2.222000       1.916000  
1 1 1 32 5  7  o 57.73000 0.9541000 0.9261000      1.908000  
1 1 1 32 5  9  o 35.45000 0.9514000 -0.3709000     1.903000  
1 1 1 32 5  11 o 24.77000 1.086000  -0.7237000     2.171000  
1 1 1 32 5  13 o 7.784000 2.045000  -0.2826000     4.090000  
1 1 1 32 5  15 o 22.66000 1.140000  -1.565000      2.280000  
1 1 1 32 5  17 o 9.629000 2.173000  -0.3327000     4.346000  
1 1 1 32 5  19 o 24.33000 1.142000  -2.378000      2.283000  
1 1 1 32 5  21 o 37.79000 1.451000  -5.725000      2.902000  
1 1 1 32 6  0  o 11.93000 2.394000  0.000000       0.000000  
1 1 1 32 6  2  o 8.681000 2.065000  -5.081000      4.130000  
1 1 1 32 6  4  o 30.43000 1.018000  1.514000       2.036000  
1 1 1 32 6  6  o 53.01000 0.9207000 1.418000       1.841000  
1 1 1 32 6  8  o 18.61000 1.278000  1.196000       2.556000  
1 1 1 32 6  10 o 37.69000 0.9430000 1.319000       1.886000  
1 1 1 32 6  12 o 32.83000 0.9633000 -1.648000      1.927000  
1 1 1 32 6  14 o 29.13000 1.092000  -1.123000      2.183000  
1 1 1 32 6  16 f 27.97000 1.106000  0.3936000      2.212000  
1 1 1 32 6  18 o 10.03000 2.037000  1.384000       4.075000  
1 1 1 32 6  20 o 11.89000 2.486000  -1.107000      4.973000  
1 1 1 32 6  22 o 12.08000 3.555000  -1.428000      7.111000  
1 1 1 32 7  1  o 15.26000 1.599000  -0.1440000     3.198000  
1 1 1 32 7  3  o 16.67000 1.516000  1.016000       3.032000  
1 1 1 32 7  5  o 8.204000 2.097000  -0.8445000     4.194000  
1 1 1 32 7  7  o 19.12000 1.232000  -1.980000      2.464000  
1 1 1 32 7  9  o 13.22000 1.829000  -0.1816000     3.658000  
1 1 1 32 7  11 o 8.668000 2.171000  0.6754000      4.342000  
1 1 1 32 7  13 o 31.46000 0.9559000 0.3330000      1.912000  
1 1 1 32 7  15 o 25.24000 1.111000  0.2061000      2.222000  
1 1 1 32 7  17 o 15.70000 1.440000  -0.5767000     2.880000  
1 1 1 32 7  19 o 8.444000 2.120000  -3.426000      4.240000  
1 1 1 32 7  21 o 17.49000 3.485000  -6.694000      6.969000  
1 1 1 32 8  0  o 26.07000 1.410000  0.000000       0.000000  
1 1 1 32 8  2  f 30.95000 1.022000  0.2656000      2.044000  
1 1 1 32 8  4  o 35.57000 0.9477000 -2.816000      1.895000  
1 1 1 32 8  6  o 15.96000 1.410000  -1.778000      2.820000  
1 1 1 32 8  8  f 24.10000 1.066000  -1.485000      2.132000  
1 1 1 32 8  10 o 15.20000 1.695000  -0.5240000     3.390000  
1 1 1 32 8  12 o 26.07000 1.017000  1.280000       2.034000  
1 1 1 32 8  14 o 21.44000 1.228000  2.002000       2.456000  
1 1 1 32 8  16 o 17.35000 1.575000  -1.148000      3.151000  
1 1 1 32 8  18 o 12.88000 1.965000  -1.439000      3.931000  
1 1 1 32 8  20 o 31.06000 1.651000  -5.108000      3.302000  
1 1 1 32 8  22 o 11.52000 4.629000  ?              ?         
1 1 1 32 9  1  o 29.73000 0.9498000 0.2925000      1.900000  
1 1 1 32 9  3  o 26.15000 1.164000  -1.000000      2.328000  
1 1 1 32 9  5  o 41.82000 1.014000  -3.318000      2.029000  
1 1 1 32 9  7  o 7.345000 2.022000  0.1235000      4.044000  
1 1 1 32 9  9  f 17.77000 1.524000  2.366000       3.047000  
1 1 1 32 9  11 o 17.49000 1.450000  -2.229000      2.901000  
1 1 1 32 9  13 o 36.11000 0.9349000 0.1466000      1.870000  
1 1 1 32 9  15 o 13.53000 1.959000  -0.1054000     3.918000  
1 1 1 32 9  17 o 15.33000 1.789000  -0.5519000     3.577000  
1 1 1 32 9  19 o 25.20000 2.204000  -1.572000      4.407000  
1 1 1 32 9  21 f 11.14000 4.778000  ?              ?         
1 1 1 32 10 0  f 7.132000 2.933000  0.000000       0.000000  
1 1 1 32 10 2  o 35.18000 0.8940000 -0.2162000     1.788000  
1 1 1 32 10 4  o 35.66000 0.9557000 1.028000       1.911000  
1 1 1 32 10 6  o 21.36000 1.333000  1.468000       2.666000  
1 1 1 32 10 8  o 36.06000 0.9114000 1.125000       1.823000  
1 1 1 32 10 10 o 45.85000 0.9857000 -0.5725000     1.971000  
1 1 1 32 10 12 o 24.84000 1.085000  -2.499000      2.170000  
1 1 1 32 10 14 o 6.690000 1.986000  -0.6392000     3.972000  
1 1 1 32 10 16 o 7.353000 2.141000  -1.129000      4.282000  
1 1 1 32 10 18 o 23.09000 1.559000  -1.046000      3.119000  
1 1 1 32 10 20 o 26.02000 1.765000  ?              ?         
1 1 1 32 11 1  o 20.89000 1.184000  -0.4368000     2.369000  
1 1 1 32 11 3  o 8.032000 2.115000  1.236000       4.230000  
1 1 1 32 11 5  o 49.26000 0.8987000 0.2828000      1.797000  
1 1 1 32 11 7  o 47.22000 0.9065000 0.1757000      1.813000  
1 1 1 32 11 9  o 10.78000 2.362000  2.849000       4.725000  
1 1 1 32 11 11 o 22.50000 1.276000  2.020000       2.552000  
1 1 1 32 11 13 o 48.59000 0.9263000 1.394000       1.853000  
1 1 1 32 11 15 o 32.20000 1.122000  1.510000       2.244000  
1 1 1 32 11 17 o 24.57000 1.444000  -1.238000      2.888000  
1 1 1 32 11 19 o 31.99000 2.328000  -1.580000      4.655000  
1 1 1 32 12 0  o 9.076000 3.101000  0.000000       0.000000  
1 1 1 32 12 2  o 22.55000 1.135000  -0.2658000E-01 2.270000  
1 1 1 32 12 4  o 23.27000 1.173000  2.795000       2.346000  
1 1 1 32 12 6  o 11.87000 2.068000  -2.520000      4.137000  
1 1 1 32 12 8  o 16.09000 1.577000  0.3647000      3.153000  
1 1 1 32 12 10 o 58.59000 1.072000  -1.115000      2.144000  
1 1 1 32 12 12 o 40.27000 0.9985000 0.7513000      1.997000  
1 1 1 32 12 14 o 29.86000 1.105000  2.137000       2.211000  
1 1 1 32 12 16 o 40.49000 1.479000  -0.3455000     2.958000  
1 1 1 32 12 18 o 41.66000 2.242000  -1.225000      4.485000  
1 1 1 32 13 1  o 22.20000 1.239000  -1.883000      2.479000  
1 1 1 32 13 3  o 8.017000 2.170000  0.9905000E-01  4.341000  
1 1 1 32 13 5  o 36.53000 1.033000  0.2984000      2.065000  
1 1 1 32 13 7  o 18.09000 1.696000  -1.450000      3.391000  
1 1 1 32 13 9  o 11.93000 2.041000  -2.703000      4.082000  
1 1 1 32 13 11 o 8.964000 2.354000  0.8057000      4.708000  
1 1 1 32 13 13 f 9.562000 2.296000  0.8381000      4.591000  
1 1 1 32 13 15 o 25.19000 1.910000  2.517000       3.821000  
1 1 1 32 13 17 o 38.61000 1.540000  -1.504000      3.081000  
1 1 1 32 13 19 o 8.897000 3.909000  ?              ?         
1 1 1 32 14 0  o 15.83000 2.220000  0.000000       0.000000  
1 1 1 32 14 2  o 23.98000 1.097000  -0.9835000     2.193000  
1 1 1 32 14 4  o 27.18000 1.079000  -0.9148000     2.158000  
1 1 1 32 14 6  o 11.08000 2.159000  1.340000       4.318000  
1 1 1 32 14 8  o 11.01000 2.164000  -1.103000      4.327000  
1 1 1 32 14 10 o 26.41000 1.253000  -1.978000      2.506000  
1 1 1 32 14 12 o 11.68000 2.530000  -1.370000      5.061000  
1 1 1 32 14 14 o 18.77000 1.930000  -3.867000      3.859000  
1 1 1 32 14 16 o 29.91000 1.743000  -3.748000      3.486000  
1 1 1 32 14 18 o 8.590000 3.763000  ?              ?         
1 1 1 32 15 1  o 27.03000 1.074000  0.5101000      2.149000  
1 1 1 32 15 3  o 47.68000 0.9299000 -0.8311000     1.860000  
1 1 1 32 15 5  o 17.68000 1.529000  -2.000000      3.059000  
1 1 1 32 15 7  o 20.09000 1.325000  0.2420000      2.649000  
1 1 1 32 15 9  o 26.63000 1.127000  0.1681000      2.254000  
1 1 1 32 15 11 o 12.48000 2.456000  -2.580000      4.913000  
1 1 1 32 15 13 o 9.249000 2.387000  0.7832000      4.774000  
1 1 1 32 15 15 o 25.00000 2.562000  -3.648000      5.124000  
1 1 1 32 15 17 o 11.26000 3.398000  -2.308000      6.796000  
1 1 1 32 16 0  o 8.025000 3.066000  0.000000       0.000000  
1 1 1 32 16 2  o 30.73000 1.001000  1.117000       2.001000  
1 1 1 32 16 4  o 25.34000 1.140000  1.168000       2.279000  
1 1 1 32 16 6  o 8.018000 2.174000  1.720000       4.348000  
1 1 1 32 16 8  o 23.91000 1.630000  -3.164000      3.259000  
1 1 1 32 16 10 o 23.63000 1.298000  2.093000       2.596000  
1 1 1 32 16 12 o 11.10000 2.760000  1.578000       5.520000  
1 1 1 32 16 14 o 17.57000 3.071000  -7.970000      6.142000  
1 1 1 32 16 16 o 15.53000 3.415000  -11.37000      6.831000  
1 1 1 32 17 1  o 15.67000 1.782000  -1.282000      3.565000  
1 1 1 32 17 3  o 8.301000 2.242000  -1.145000      4.484000  
1 1 1 32 17 5  o 15.04000 1.930000  0.8938000      3.860000  
1 1 1 32 17 7  o 36.54000 1.158000  0.4211000      2.316000  
1 1 1 32 17 9  o 16.42000 2.080000  -0.2443000     4.160000  
1 1 1 32 17 11 o 12.29000 3.002000  -4.798000      6.005000  
1 1 1 32 17 13 o 41.37000 2.009000  -1.725000      4.017000  
1 1 1 32 17 15 o 12.45000 3.518000  -2.669000      7.036000  
1 1 1 32 18 0  o 7.600000 3.093000  0.000000       0.000000  
1 1 1 32 18 2  f 8.004000 2.227000  -2.093000      4.454000  
1 1 1 32 18 4  o 8.819000 2.268000  1.900000       4.536000  
1 1 1 32 18 6  o 22.07000 1.656000  -2.709000      3.311000  
1 1 1 32 18 8  o 9.831000 2.560000  1.603000       5.120000  
1 1 1 32 18 10 o 16.78000 2.667000  -1.791000      5.333000  
1 1 1 32 18 12 o 23.85000 3.279000  -1.773000      6.559000  
1 1 1 32 18 14 o 14.62000 5.300000  ?              ?         
1 1 1 32 19 1  o 17.40000 1.941000  1.307000       3.882000  
1 1 1 32 19 3  o 15.22000 2.401000  0.2241000E-02  4.802000  
1 1 1 32 19 5  o 35.87000 1.291000  -0.8932000     2.583000  
1 1 1 32 19 7  o 15.29000 2.854000  -0.8992000     5.709000  
1 1 1 32 19 9  o 19.40000 3.146000  -7.103000      6.293000  
1 1 1 32 19 11 o 14.49000 3.683000  -6.564000      7.367000  
1 1 1 32 20 0  o 28.86000 2.789000  0.000000       0.000000  
1 1 1 32 20 2  o 19.80000 2.475000  -4.796000      4.951000  
1 1 1 32 20 4  o 21.39000 2.561000  -3.254000      5.121000  
1 1 1 32 20 6  o 34.97000 1.652000  -0.1213000     3.303000  
1 1 1 32 20 8  o 22.79000 3.087000  -0.5917000     6.174000  
1 1 1 32 20 10 o 15.82000 4.764000  ?              ?         
1 1 1 32 21 1  o 14.36000 3.999000  10.17000       7.998000  
1 1 1 32 21 3  o 32.67000 2.459000  -2.154000      4.919000  
1 1 1 32 21 5  o 12.49000 3.466000  2.721000       6.932000  
1 1 1 32 21 7  f 13.98000 3.097000  -2.876000      6.194000  
1 1 1 32 22 0  o 16.73000 4.790000  0.000000       0.000000  
1 1 1 32 22 2  o 12.84000 3.170000  0.1797000      6.341000  
1 1 1 33 0  1  o 25.44000 1.296000  0.000000       0.000000  
1 1 1 33 0  3  o 6.898000 2.641000  0.000000       0.000000  
1 1 1 33 0  5  o 28.79000 1.191000  0.000000       0.000000  
1 1 1 33 0  7  o 60.09000 1.324000  0.000000       0.000000  
1 1 1 33 0  9  o 6.282000 2.577000  0.000000       0.000000  
1 1 1 33 0  11 o 9.697000 2.611000  0.000000       0.000000  
1 1 1 33 0  13 o 36.25000 1.163000  0.000000       0.000000  
1 1 1 33 0  15 o 29.47000 1.320000  0.000000       0.000000  
1 1 1 33 0  17 o 6.259000 2.828000  0.000000       0.000000  
1 1 1 33 0  19 o 33.75000 3.144000  0.000000       0.000000  
1 1 1 33 1  0  o 11.28000 3.264000  0.000000       0.000000  
1 1 1 33 1  2  o 35.69000 0.8039000 -1.008000      1.608000  
1 1 1 33 1  4  o 25.78000 0.8763000 2.076000       1.753000  
1 1 1 33 1  6  o 26.26000 0.8689000 0.9000000E-01  1.738000  
1 1 1 33 1  8  o 51.05000 0.8536000 0.9092000      1.707000  
1 1 1 33 1  10 o 30.95000 0.8366000 -1.476000      1.673000  
1 1 1 33 1  12 o 19.00000 1.319000  0.4532000      2.638000  
1 1 1 33 1  14 o 11.79000 1.924000  0.7374000      3.849000  
1 1 1 33 1  16 o 6.335000 1.940000  -0.1225000     3.879000  
1 1 1 33 1  18 o 15.50000 3.040000  0.5783000      6.080000  
1 1 1 33 2  1  o 19.46000 1.172000  1.130000       2.344000  
1 1 1 33 2  3  o 7.841000 1.896000  0.6989000      3.792000  
1 1 1 33 2  5  o 11.87000 1.601000  -0.6607000     3.202000  
1 1 1 33 2  7  o 14.79000 1.374000  1.102000       2.748000  
1 1 1 33 2  9  o 15.63000 1.537000  0.7033000E-01  3.074000  
1 1 1 33 2  11 o 12.57000 1.844000  -0.4672000     3.689000  
1 1 1 33 2  13 o 36.53000 0.9173000 0.7071000      1.835000  
1 1 1 33 2  15 o 7.792000 2.115000  0.7115000E-01  4.230000  
1 1 1 33 2  17 o 25.75000 1.296000  0.6472000E-01  2.593000  
1 1 1 33 2  19 o 28.56000 3.315000  9.996000       6.630000  
1 1 1 33 3  0  o 46.54000 1.181000  0.000000       0.000000  
1 1 1 33 3  2  o 47.94000 0.9922000 0.2539000      1.984000  
1 1 1 33 3  4  o 50.51000 0.8427000 0.3275000      1.685000  
1 1 1 33 3  6  o 17.40000 1.187000  1.012000       2.375000  
1 1 1 33 3  8  o 6.941000 1.983000  -1.938000      3.965000  
1 1 1 33 3  10 o 16.92000 1.392000  0.5620000      2.785000  
1 1 1 33 3  12 o 29.33000 0.9082000 -0.3312000     1.816000  
1 1 1 33 3  14 o 6.520000 1.954000  -3.010000      3.908000  
1 1 1 33 3  16 o 15.29000 2.046000  -1.760000      4.092000  
1 1 1 33 3  18 o 37.59000 1.480000  -3.320000      2.961000  
1 1 1 33 3  20 f 15.51000 2.972000  -8.083000      5.943000  
1 1 1 33 4  1  o 26.22000 1.056000  -1.496000      2.111000  
1 1 1 33 4  3  o 7.917000 1.902000  2.619000       3.803000  
1 1 1 33 4  5  o 34.05000 0.8186000 -1.141000      1.637000  
1 1 1 33 4  7  o 49.43000 0.9167000 -0.6973000     1.833000  
1 1 1 33 4  9  o 32.59000 0.9134000 -0.8920000E-01 1.827000  
1 1 1 33 4  11 o 17.85000 1.353000  0.1943000E-01  2.706000  
1 1 1 33 4  13 o 18.21000 1.348000  -2.576000      2.697000  
1 1 1 33 4  15 o 7.535000 2.010000  -0.2143000E-01 4.019000  
1 1 1 33 4  17 o 7.412000 2.229000  -1.280000      4.459000  
1 1 1 33 4  19 o 32.45000 2.307000  ?              ?         
1 1 1 33 5  0  o 28.82000 1.189000  0.000000       0.000000  
1 1 1 33 5  2  o 19.85000 1.075000  -0.3552000     2.150000  
1 1 1 33 5  4  o 8.348000 2.119000  -1.067000      4.238000  
1 1 1 33 5  6  o 20.75000 1.222000  3.092000       2.444000  
1 1 1 33 5  8  o 34.97000 0.9178000 -1.114000      1.836000  
1 1 1 33 5  10 o 28.81000 0.9706000 -0.3920000     1.941000  
1 1 1 33 5  12 o 36.04000 0.8970000 -0.6209000E-01 1.794000  
1 1 1 33 5  14 o 18.71000 1.301000  -1.583000      2.602000  
1 1 1 33 5  16 o 22.02000 1.517000  0.6713000      3.035000  
1 1 1 33 5  18 o 14.74000 2.665000  5.131000       5.330000  
1 1 1 33 5  20 o 14.59000 4.914000  ?              ?         
1 1 1 33 6  1  o 29.53000 0.8840000 -0.3432000     1.768000  
1 1 1 33 6  3  o 43.52000 0.9971000 -0.5706000     1.994000  
1 1 1 33 6  5  o 23.92000 1.077000  -0.3588000     2.155000  
1 1 1 33 6  7  o 19.67000 1.219000  0.2252000      2.437000  
1 1 1 33 6  9  o 20.26000 1.219000  0.4088000      2.438000  
1 1 1 33 6  11 o 7.736000 1.994000  -1.114000      3.988000  
1 1 1 33 6  13 o 11.09000 2.072000  0.6601000      4.143000  
1 1 1 33 6  15 o 14.83000 2.602000  2.665000       5.204000  
1 1 1 33 6  17 o 13.84000 3.026000  -2.556000      6.053000  
1 1 1 33 6  19 o 14.19000 5.345000  ?              ?         
1 1 1 33 7  0  o 76.66000 1.839000  0.000000       0.000000  
1 1 1 33 7  2  o 43.64000 0.9124000 0.9958000      1.825000  
1 1 1 33 7  4  o 16.79000 1.469000  -3.257000      2.939000  
1 1 1 33 7  6  o 10.60000 1.948000  -2.203000      3.896000  
1 1 1 33 7  8  o 30.32000 0.9509000 0.1590000      1.902000  
1 1 1 33 7  10 o 9.007000 2.067000  0.2267000      4.133000  
1 1 1 33 7  12 o 13.55000 1.892000  0.6369000      3.785000  
1 1 1 33 7  14 o 25.97000 1.131000  -3.164000      2.262000  
1 1 1 33 7  16 o 26.46000 1.914000  -2.543000      3.827000  
1 1 1 33 7  18 o 15.95000 3.010000  ?              ?         
1 1 1 33 8  1  o 34.87000 0.9169000 -0.5149000     1.834000  
1 1 1 33 8  3  o 44.16000 1.124000  0.7721000      2.247000  
1 1 1 33 8  5  o 9.362000 2.032000  1.963000       4.064000  
1 1 1 33 8  7  o 7.546000 2.043000  -1.106000      4.086000  
1 1 1 33 8  9  o 19.01000 1.306000  -1.594000      2.612000  
1 1 1 33 8  11 o 43.34000 0.9171000 0.7988000      1.834000  
1 1 1 33 8  13 o 21.18000 1.413000  2.795000       2.826000  
1 1 1 33 8  15 o 13.47000 2.349000  -0.2214000     4.698000  
1 1 1 33 8  17 o 21.79000 3.146000  -3.258000      6.291000  
1 1 1 33 9  0  o 34.12000 1.311000  0.000000       0.000000  
1 1 1 33 9  2  f 21.63000 1.195000  0.5705000      2.390000  
1 1 1 33 9  4  o 59.18000 1.102000  -0.3646000     2.203000  
1 1 1 33 9  6  o 28.14000 1.028000  -0.3462000     2.055000  
1 1 1 33 9  8  o 16.41000 1.489000  0.2901000      2.977000  
1 1 1 33 9  10 o 25.48000 1.082000  -0.1107000     2.164000  
1 1 1 33 9  12 o 24.70000 1.209000  0.6502000      2.418000  
1 1 1 33 9  14 o 12.38000 2.365000  -0.3885000     4.730000  
1 1 1 33 9  16 o 37.41000 1.734000  0.2067000E-01  3.467000  
1 1 1 33 9  18 o 9.290000 4.155000  ?              ?         
1 1 1 33 10 1  o 19.76000 1.193000  -0.8708000     2.385000  
1 1 1 33 10 3  o 13.01000 1.823000  0.2968000      3.647000  
1 1 1 33 10 5  o 9.303000 2.285000  -0.2469000     4.569000  
1 1 1 33 10 7  o 21.93000 1.280000  1.956000       2.560000  
1 1 1 33 10 9  o 12.84000 1.932000  2.986000       3.864000  
1 1 1 33 10 11 o 12.41000 2.003000  1.731000       4.005000  
1 1 1 33 10 13 o 33.90000 1.185000  -2.235000      2.370000  
1 1 1 33 10 15 o 47.69000 1.625000  2.143000       3.250000  
1 1 1 33 10 17 o 10.02000 4.453000  ?              ?         
1 1 1 33 11 0  o 14.06000 2.337000  0.000000       0.000000  
1 1 1 33 11 2  o 36.51000 0.8973000 -0.5538000     1.795000  
1 1 1 33 11 4  o 9.309000 2.150000  0.5215000      4.300000  
1 1 1 33 11 6  o 13.42000 1.935000  0.7966000E-01  3.869000  
1 1 1 33 11 8  o 11.90000 2.051000  -0.1763000     4.103000  
1 1 1 33 11 10 o 6.996000 2.007000  -1.350000      4.015000  
1 1 1 33 11 12 o 6.943000 2.212000  -2.201000      4.424000  
1 1 1 33 11 14 o 20.60000 2.662000  -3.186000      5.323000  
1 1 1 33 11 16 o 14.28000 4.940000  ?              ?         
1 1 1 33 12 1  o 28.01000 1.028000  0.1033000      2.056000  
1 1 1 33 12 3  o 29.11000 1.026000  0.4039000      2.052000  
1 1 1 33 12 5  o 22.82000 1.373000  -2.557000      2.746000  
1 1 1 33 12 7  o 8.036000 2.175000  1.555000       4.351000  
1 1 1 33 12 9  o 7.644000 2.155000  -0.6315000     4.310000  
1 1 1 33 12 11 o 12.47000 2.300000  -2.797000      4.600000  
1 1 1 33 12 13 o 26.39000 1.893000  -0.1653000     3.786000  
1 1 1 33 12 15 o 13.67000 4.457000  ?              ?         
1 1 1 33 13 0  o 6.152000 2.721000  0.000000       0.000000  
1 1 1 33 13 2  o 12.64000 1.940000  2.065000       3.881000  
1 1 1 33 13 4  o 8.323000 2.145000  -1.874000      4.290000  
1 1 1 33 13 6  o 23.94000 1.581000  1.280000       3.163000  
1 1 1 33 13 8  o 14.12000 1.880000  -0.1435000     3.759000  
1 1 1 33 13 10 o 29.10000 1.202000  -0.9351000     2.405000  
1 1 1 33 13 12 o 36.94000 1.439000  -1.396000      2.878000  
1 1 1 33 14 1  o 26.10000 1.112000  -0.2515000     2.224000  
1 1 1 33 14 3  o 35.00000 0.9673000 1.619000       1.935000  
1 1 1 33 14 5  o 8.097000 2.239000  1.060000       4.478000  
1 1 1 33 14 7  o 22.29000 1.408000  0.9767000      2.816000  
1 1 1 33 14 9  o 7.189000 2.221000  -1.175000      4.441000  
1 1 1 33 14 11 o 23.79000 1.816000  -0.4377000     3.631000  
1 1 1 33 14 13 o 11.88000 3.501000  2.000000       7.001000  
1 1 1 33 15 0  o 5.569000 2.592000  0.000000       0.000000  
1 1 1 33 15 2  o 20.50000 1.318000  0.1950000      2.637000  
1 1 1 33 15 4  o 22.53000 1.307000  1.994000       2.615000  
1 1 1 33 15 6  o 17.53000 1.988000  2.763000       3.977000  
1 1 1 33 15 8  o 27.03000 1.937000  -4.025000      3.875000  
1 1 1 33 15 10 o 35.68000 1.501000  3.925000       3.001000  
1 1 1 33 15 12 o 19.17000 3.628000  -6.085000      7.255000  
1 1 1 33 16 1  o 10.56000 2.404000  -1.477000      4.807000  
1 1 1 33 16 3  o 19.75000 1.860000  4.646000       3.720000  
1 1 1 33 16 5  o 21.58000 2.294000  -2.809000      4.588000  
1 1 1 33 16 7  o 28.47000 2.162000  -2.196000      4.324000  
1 1 1 33 16 9  o 34.99000 2.411000  -3.145000      4.822000  
1 1 1 33 16 11 o 10.94000 3.285000  -3.030000      6.571000  
1 1 1 33 17 0  o 13.41000 4.436000  0.000000       0.000000  
1 1 1 33 17 2  o 31.88000 1.652000  -0.6136000     3.304000  
1 1 1 33 17 4  o 31.40000 1.652000  -3.430000      3.305000  
1 1 1 33 17 6  o 31.07000 3.351000  3.237000       6.702000  
1 1 1 33 17 8  o 34.58000 4.019000  ?              ?         
1 1 1 33 18 1  o 38.49000 1.821000  -1.574000      3.641000  
1 1 1 33 18 3  o 48.59000 2.073000  -7.229000      4.145000  
1 1 1 33 18 5  o 34.30000 2.524000  -7.849000      5.049000  
1 1 1 33 18 7  o 19.25000 3.050000  -2.838000      6.100000  
1 1 1 33 19 0  f 14.34000 5.055000  0.000000       0.000000  
1 1 1 33 19 2  f 11.57000 3.420000  -3.701000      6.840000  
1 1 1 33 19 4  o 10.17000 2.984000  -1.276000      5.968000  
1 1 1 34 0  2  o 37.80000 1.138000  0.000000       0.000000  
1 1 1 34 0  4  o 6.648000 2.667000  0.000000       0.000000  
1 1 1 34 0  6  o 6.284000 2.642000  0.000000       0.000000  
1 1 1 34 0  8  o 59.60000 1.303000  0.000000       0.000000  
1 1 1 34 0  10 o 5.671000 2.473000  0.000000       0.000000  
1 1 1 34 0  12 o 9.727000 2.989000  0.000000       0.000000  
1 1 1 34 0  14 o 16.18000 4.378000  0.000000       0.000000  
1 1 1 34 0  16 o 28.07000 4.116000  0.000000       0.000000  
1 1 1 34 1  1  o 16.29000 1.325000  1.517000       2.649000  
1 1 1 34 1  3  o 16.92000 1.213000  0.2352000      2.426000  
1 1 1 34 1  5  o 10.99000 1.795000  0.9688000E-01  3.590000  
1 1 1 34 1  7  f 19.27000 1.099000  0.1167000E-01  2.197000  
1 1 1 34 1  9  o 38.25000 0.8318000 -2.317000      1.664000  
1 1 1 34 1  11 o 18.44000 1.425000  -0.9117000     2.849000  
1 1 1 34 1  13 o 21.40000 1.522000  -0.4822000     3.044000  
1 1 1 34 1  15 o 29.52000 1.652000  1.571000       3.304000  
1 1 1 34 2  0  o 22.75000 1.462000  0.000000       0.000000  
1 1 1 34 2  2  o 26.15000 0.8895000 0.9876000E-01  1.779000  
1 1 1 34 2  4  o 26.14000 0.8784000 -0.7099000     1.757000  
1 1 1 34 2  6  o 22.07000 1.022000  -0.3783000     2.045000  
1 1 1 34 2  8  o 10.47000 1.804000  -0.8147000     3.609000  
1 1 1 34 2  10 o 19.11000 1.300000  -0.9200000     2.601000  
1 1 1 34 2  12 o 23.96000 1.331000  0.4088000      2.663000  
1 1 1 34 2  14 o 20.65000 2.117000  -2.289000      4.234000  
1 1 1 34 2  16 o 14.92000 3.932000  -1.779000      7.864000  
1 1 1 34 3  1  f 17.16000 1.277000  0.9127000      2.555000  
1 1 1 34 3  3  o 6.468000 1.878000  -1.059000      3.756000  
1 1 1 34 3  5  o 20.89000 1.074000  -0.6561000     2.148000  
1 1 1 34 3  7  o 22.83000 1.147000  1.473000       2.294000  
1 1 1 34 3  9  o 34.79000 0.9154000 1.837000       1.831000  
1 1 1 34 3  11 o 22.17000 1.142000  0.6749000      2.283000  
1 1 1 34 3  13 o 30.22000 1.711000  -1.126000      3.421000  
1 1 1 34 3  15 o 12.85000 3.073000  0.1892000      6.147000  
1 1 1 34 4  0  o 6.305000 2.586000  0.000000       0.000000  
1 1 1 34 4  2  o 9.924000 2.431000  -2.624000      4.861000  
1 1 1 34 4  4  o 31.54000 0.8594000 0.4759000      1.719000  
1 1 1 34 4  6  f 39.00000 0.8971000 0.5238000      1.794000  
1 1 1 34 4  8  o 46.64000 0.9352000 -0.4199000     1.870000  
1 1 1 34 4  10 o 18.87000 1.462000  -0.3207000     2.924000  
1 1 1 34 4  12 o 12.46000 2.281000  -1.828000      4.562000  
1 1 1 34 4  14 f 30.09000 1.405000  2.215000       2.810000  
1 1 1 34 4  16 o 17.43000 5.334000  ?              ?         
1 1 1 34 5  1  o 6.288000 1.839000  -0.3448000     3.678000  
1 1 1 34 5  3  o 19.30000 1.155000  0.1962000      2.310000  
1 1 1 34 5  5  o 25.88000 1.032000  0.5681000      2.065000  
1 1 1 34 5  7  o 46.03000 0.9244000 0.3620000      1.849000  
1 1 1 34 5  9  o 32.13000 1.007000  0.7906000      2.014000  
1 1 1 34 5  11 o 17.44000 1.613000  -1.869000      3.227000  
1 1 1 34 5  13 o 24.77000 2.150000  2.815000       4.301000  
1 1 1 34 5  15 o 18.77000 5.574000  ?              ?         
1 1 1 34 6  0  o 22.33000 1.446000  0.000000       0.000000  
1 1 1 34 6  2  o 9.222000 2.139000  0.2100000      4.278000  
1 1 1 34 6  4  o 39.52000 0.9270000 0.7810000      1.854000  
1 1 1 34 6  6  o 28.14000 1.006000  0.6601000      2.012000  
1 1 1 34 6  8  o 13.43000 1.769000  2.131000       3.537000  
1 1 1 34 6  10 o 12.97000 2.195000  -1.314000      4.391000  
1 1 1 34 6  12 o 14.36000 2.940000  -4.177000      5.881000  
1 1 1 34 6  14 o 28.45000 1.985000  ?              ?         
1 1 1 34 7  1  o 19.31000 1.301000  1.073000       2.602000  
1 1 1 34 7  3  o 27.11000 1.506000  -0.4458000     3.011000  
1 1 1 34 7  5  o 6.212000 1.940000  -1.997000      3.881000  
1 1 1 34 7  7  o 5.837000 1.875000  -1.242000      3.751000  
1 1 1 34 7  9  o 14.26000 2.017000  0.7013000      4.034000  
1 1 1 34 7  11 o 18.78000 2.657000  1.519000       5.314000  
1 1 1 34 7  13 o 31.85000 1.622000  1.956000       3.243000  
1 1 1 34 7  15 o 12.78000 4.930000  ?              ?         
1 1 1 34 8  0  o 28.04000 1.528000  0.000000       0.000000  
1 1 1 34 8  2  o 22.80000 1.185000  0.9490000      2.371000  
1 1 1 34 8  4  o 38.41000 1.180000  -1.052000      2.360000  
1 1 1 34 8  6  o 20.52000 1.313000  -0.2980000E-01 2.626000  
1 1 1 34 8  8  o 17.06000 1.560000  0.5379000      3.121000  
1 1 1 34 8  10 o 27.96000 1.854000  0.2186000      3.708000  
1 1 1 34 8  12 o 62.80000 1.463000  0.6468000      2.926000  
1 1 1 34 8  14 o 26.84000 3.506000  ?              ?         
1 1 1 34 9  1  o 45.78000 0.9225000 1.832000       1.845000  
1 1 1 34 9  3  o 31.70000 0.9817000 0.6577000      1.963000  
1 1 1 34 9  5  o 7.955000 2.198000  -0.1938000E-01 4.396000  
1 1 1 34 9  7  o 7.792000 2.163000  0.7057000      4.325000  
1 1 1 34 9  9  o 13.50000 3.134000  -2.744000      6.267000  
1 1 1 34 9  11 o 20.19000 2.879000  4.868000       5.758000  
1 1 1 34 9  13 o 17.20000 5.568000  ?              ?         
1 1 1 34 10 0  o 9.251000 3.165000  0.000000       0.000000  
1 1 1 34 10 2  o 6.995000 2.086000  0.1719000      4.172000  
1 1 1 34 10 4  o 32.45000 1.248000  1.125000       2.495000  
1 1 1 34 10 6  o 32.16000 1.125000  1.863000       2.250000  
1 1 1 34 10 8  o 22.33000 2.346000  1.337000       4.691000  
1 1 1 34 10 10 o 25.22000 1.972000  0.9300000      3.944000  
1 1 1 34 10 12 o 13.23000 5.388000  ?              ?         
1 1 1 34 11 1  o 15.74000 1.811000  -0.3981000     3.622000  
1 1 1 34 11 3  o 17.76000 1.663000  -2.980000      3.326000  
1 1 1 34 11 5  o 13.43000 2.654000  -1.578000      5.308000  
1 1 1 34 11 7  o 14.07000 2.813000  -2.077000      5.627000  
1 1 1 34 11 9  o 17.68000 2.987000  -1.378000      5.975000  
1 1 1 34 11 11 o 13.78000 5.215000  ?              ?         
1 1 1 34 12 0  o 33.50000 1.463000  0.000000       0.000000  
1 1 1 34 12 2  o 11.37000 2.800000  -0.1952000     5.599000  
1 1 1 34 12 4  o 14.77000 2.864000  0.8339000E-01  5.728000  
1 1 1 34 12 6  o 28.35000 2.145000  -9.424000      4.290000  
1 1 1 34 12 8  f 17.14000 3.729000  -8.077000      7.458000  
1 1 1 34 12 10 f 15.54000 3.666000  -6.245000      7.332000  
1 1 1 34 13 1  o 17.23000 2.896000  -1.254000      5.792000  
1 1 1 34 13 3  o 34.96000 1.633000  5.889000       3.266000  
1 1 1 34 13 5  o 19.79000 2.777000  -7.015000      5.554000  
1 1 1 34 13 7  o 32.20000 2.769000  6.085000       5.537000  
1 1 1 34 13 9  o 13.10000 3.480000  -2.037000      6.960000  
1 1 1 34 14 0  o 31.56000 3.462000  0.000000       0.000000  
1 1 1 34 14 2  o 31.82000 2.625000  0.2311000      5.250000  
1 1 1 34 14 4  o 46.24000 2.139000  -1.460000      4.278000  
1 1 1 34 14 6  o 17.45000 5.806000  ?              ?         
1 1 1 34 14 8  o 15.56000 5.261000  ?              ?         
1 1 1 34 15 1  o 22.91000 3.761000  -1.741000      7.521000  
1 1 1 34 15 3  o 25.40000 2.867000  -3.723000      5.733000  
1 1 1 34 15 5  o 25.52000 3.024000  -4.407000      6.048000  
1 1 1 34 16 0  o 19.13000 4.906000  0.000000       0.000000  
1 1 1 35 0  1  o 6.191000 2.749000  0.000000       0.000000  
1 1 1 35 0  3  o 35.28000 1.269000  0.000000       0.000000  
1 1 1 35 0  5  o 17.96000 1.968000  0.000000       0.000000  
1 1 1 35 0  7  o 19.17000 3.002000  0.000000       0.000000  
1 1 1 35 0  9  o 70.60000 2.249000  0.000000       0.000000  
1 1 1 35 1  0  o 9.970000 3.206000  0.000000       0.000000  
1 1 1 35 1  2  o 14.79000 1.635000  0.2801000      3.270000  
1 1 1 35 1  4  o 12.81000 1.836000  -1.619000      3.673000  
1 1 1 35 1  6  o 26.39000 1.607000  -0.9785000     3.214000  
1 1 1 35 1  8  o 41.48000 1.453000  0.2257000      2.907000  
1 1 1 35 1  10 o 14.52000 5.091000  ?              ?         
1 1 1 35 2  1  f 25.12000 1.080000  1.257000       2.159000  
1 1 1 35 2  3  o 9.100000 2.159000  0.2480000      4.318000  
1 1 1 35 2  5  o 31.83000 1.324000  0.6141000      2.647000  
1 1 1 35 2  7  f 23.41000 1.921000  -0.4569000     3.841000  
1 1 1 35 2  9  o 27.42000 2.399000  -0.7172000     4.799000  
1 1 1 35 2  11 o 11.58000 4.806000  ?              ?         
1 1 1 35 3  0  o 16.26000 2.194000  0.000000       0.000000  
1 1 1 35 3  2  o 12.43000 2.077000  -3.352000      4.154000  
1 1 1 35 3  4  o 12.35000 2.764000  2.486000       5.528000  
1 1 1 35 3  6  o 17.27000 2.336000  -1.631000      4.672000  
1 1 1 35 3  8  o 34.58000 1.609000  0.2913000      3.219000  
1 1 1 35 3  10 o 27.34000 4.966000  ?              ?         
1 1 1 35 4  1  o 17.76000 1.637000  2.061000       3.275000  
1 1 1 35 4  3  o 28.60000 1.507000  1.104000       3.013000  
1 1 1 35 4  5  o 51.93000 1.311000  2.254000       2.623000  
1 1 1 35 4  7  f 45.52000 1.395000  -2.828000      2.791000  
1 1 1 35 4  9  o 44.44000 3.378000  ?              ?         
1 1 1 35 4  11 o 19.57000 5.161000  ?              ?         
1 1 1 35 5  0  o 12.73000 3.892000  0.000000       0.000000  
1 1 1 35 5  2  o 24.98000 1.704000  -0.2994000     3.408000  
1 1 1 35 5  4  o 26.11000 1.811000  1.307000       3.621000  
1 1 1 35 5  6  o 37.45000 1.566000  -0.7932000E-01 3.133000  
1 1 1 35 5  8  o 25.77000 2.473000  ?              ?         
1 1 1 35 5  10 o 12.68000 5.351000  ?              ?         
1 1 1 35 6  1  o 32.60000 1.567000  0.6130000      3.133000  
1 1 1 35 6  3  o 28.24000 1.922000  -2.171000      3.844000  
1 1 1 35 6  5  o 31.25000 1.684000  4.005000       3.369000  
1 1 1 35 6  7  o 11.81000 3.098000  -0.2857000     6.195000  
1 1 1 35 6  9  o 11.11000 5.023000  ?              ?         
1 1 1 35 7  0  o 31.75000 1.957000  0.000000       0.000000  
1 1 1 35 7  2  o 20.88000 2.505000  1.820000       5.009000  
1 1 1 35 7  4  o 35.37000 3.049000  2.039000       6.098000  
1 1 1 35 7  6  o 15.85000 3.288000  ?              ?         
1 1 1 35 7  8  o 19.48000 5.827000  ?              ?         
1 1 1 35 8  1  o 44.04000 1.643000  -0.3515000     3.286000  
1 1 1 35 8  3  o 40.12000 1.920000  -0.4449000     3.839000  
1 1 1 35 8  5  o 22.95000 3.418000  ?              ?         
1 1 1 35 8  7  o 13.95000 5.711000  ?              ?         
1 1 1 35 9  0  o 34.41000 2.921000  0.000000       0.000000  
1 1 1 35 9  2  o 17.65000 3.733000  2.045000       7.466000  
1 1 1 35 9  4  o 15.88000 3.927000  2.120000       7.854000  
1 1 1 35 9  6  o 15.69000 5.944000  ?              ?         
1 1 1 35 10 1  o 14.85000 3.718000  0.6886000      7.437000  
1 1 1 35 10 3  o 20.25000 3.734000  -2.423000      7.468000  
1 1 1 35 10 5  o 20.10000 3.711000  -2.331000      7.422000  
1 1 1 35 11 0  o 43.01000 3.133000  0.000000       0.000000  
1 1 1 35 11 2  o 22.92000 3.505000  -5.088000      7.010000  
# 
#END OF REFLECTIONS
